A0A096N720_PAPAN Loading...

Zinc finger protein 250

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A096N720, Species PAPAN (Papio anubis, Olive baboon), Gene ZNF250, Length 554 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	42	Very low	35.2	Very low	246 Å²	246	147.9 Å²	147.9	100%	1.212	89%	0.887	S	S	*	*				0	130.9	0	-73.3	-170.4	-170.8	0	0	108.5
2	A	30.6	Very low	35.7	Very low	103 Å²	103	140.4 Å²	140.4	85%	0.851	86%	0.863	S	S	*	*			trans	140.9	100.3	152.1	0	0	0	0	0	109.7
3	A	36.5	Very low	36.3	Very low	106 Å²	106	140.2 Å²	140.2	88%	0.876	87%	0.865	S	S	*	*			trans	-74.5	143.1	163.2	0	0	0	0	0	109.3
4	A	29.8	Very low	37	Very low	103 Å²	103	143.9 Å²	143.9	85%	0.851	87%	0.867	S	S	*	*			trans	-122.6	118.5	164.2	0	0	0	0	0	109.2
5	R	34.4	Very low	37.8	Very low	247 Å²	247	140.7 Å²	140.7	93%	0.932	86%	0.862	S	S	*	*	P	Polyproline II helix	trans	-68	142.2	-178.2	-78.9	170.4	159.9	-177.5	-6.6	111.9
6	L	32.2	Very low	39	Very low	173 Å²	173	142.8 Å²	142.8	91%	0.906	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-75.4	142.9	163.3	-68.3	163	0	0	0	110.4
7	L	32.6	Very low	40.1	Very low	167 Å²	167	140.4 Å²	140.4	87%	0.874	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-90.5	149.2	164.2	-73.4	170.6	0	0	0	110.3
8	P	36.9	Very low	41.6	Very low	123 Å²	123	136.2 Å²	136.2	80%	0.799	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-85.3	146.5	-178.3	30.8	-26.4	0	0	0	113.2
9	V	35.1	Very low	43.1	Very low	136 Å²	136	129.9 Å²	129.9	82%	0.824	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-73.8	140.4	175.1	178.8	0	0	0	0	110.3
10	P	37.5	Very low	44.4	Very low	120 Å²	120	131.6 Å²	131.6	78%	0.779	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-77.1	135.1	176.9	29.8	-31.3	0	0	0	112
11	A	39.8	Very low	45.4	Very low	103 Å²	103	130.5 Å²	130.5	85%	0.851	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-77.8	129.8	174	0	0	0	0	0	111.1
12	G	40.6	Very low	46.6	Very low	58 Å²	58	122 Å²	122	60%	0.598	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-76.8	168.1	167.4	0	0	0	0	0	112.6	Q14	G12-Q14 PolarHBondContact O-N 3.34Å
13	P	44.6	Very low	48.6	Very low	137 Å²	137	118 Å²	118	89%	0.89	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-70.9	124.8	-171.9	28.5	-31.6	0	0	0	111.2	A15	P13-A15 PolarHBondContact O-N 3.01Å
14	Q	45	Very low	50.4	Low	192 Å²	192	117.1 Å²	117.1	90%	0.897	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-68.8	118.3	175.2	-69.6	178.8	-7.9	0	0	109.8	G12 K16	G12-Q14 PolarHBondContact O-N 3.34Å; Q14-K16 PolarHBondContact O-N 3.11Å
15	A	49.1	Very low	52.4	Low	96 Å²	96	117.5 Å²	117.5	79%	0.793	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-64.3	129.6	169.2	0	0	0	0	0	109.4	P13 L17	P13-A15 PolarHBondContact O-N 3.01Å; A15-L17 PolarHBondContact O-N 2.8Å
16	K	57.5	Low	54.2	Low	174 Å²	174	108.5 Å²	108.5	76%	0.757	63%	0.633	S	S	*	*			trans	-76.2	112.5	176.8	-70.7	179.9	179.3	179.6	0	108.7	Q14	Q14-K16 PolarHBondContact O-N 3.11Å
17	L	58.3	Low	56	Low	103 Å²	103	103 Å²	103	54%	0.539	61%	0.609	S	S	.	*			trans	-65	125.4	173.6	-108.7	146.5	0	0	0	110.2	A15 D21 V22 L58	A15-L17 PolarHBondContact O-N 2.8Å; L17-D21 HydrophobicContact CD2-CB 4.13Å; L17-V22 HydrophobicContact CD2-CG2 3.49Å; L17-V22 VanDerWaalsContact CD2-CG2 3.49Å; L17-L58 WeakPolarHBondContact O-CD1 2.92Å
18	T	66.8	Low	57.2	Low	64 Å²	64	98.7 Å²	98.7	39%	0.393	59%	0.585	S	S	.	*			trans	-105.1	165.1	177	69.4	0	0	0	0	111.3	E20 D21	T18-E20 PolarHBondContact O-N 3.1Å; T18-D21 WeakPolarHBondContact CB-OD2 3.32Å; T18-D21 PolarHBondContact N-OD2 3.3Å; T18-D21 WeakPolarHBondContact O-CB 3.49Å; T18-D21 PolarHBondContact O-N 3.27Å; T18-D21 VanDerWaalsContact OG1-CG 3.26Å; T18-D21 PolarHBondContact OG1-OD2 3.39Å
19	F	69.2	Low	58.2	Low	18 Å²	18	98.3 Å²	98.3	8%	0.079	58%	0.576	C	S	.	*	G	3₁₀ helix	trans	-60.3	-35.7	176.3	179.7	-101.9	0	0	0	111.7	D21 V22 A23 M46 T49 Y50 V53 P63 I65 I66	F19-D21 PolarHBondContact O-N 3.04Å; F19-V22 PolarHBondContact O-N 3.19Å; F19-V22 VanDerWaalsContact O-N 3.15Å; F19-A23 HydrophobicContact CD1-CB 3.89Å; F19-A23 HydrophobicContact CE1-CB 3.58Å; F19-A23 HydrophobicContact CE2-CB 4.47Å; F19-A23 HydrophobicContact CG-CB 4.49Å; F19-A23 HydrophobicContact CZ-CB 3.88Å; F19-A23 WeakPolarHBondContact O-CB 3.36Å; F19-A23 PolarHBondContact O-N 3.2Å; F19-M46 HydrophobicContact CE1-CE 4.36Å; F19-M46 HydrophobicContact CZ-CE 4.02Å; F19-T49 HydrophobicContact CD2-CG2 4.4Å; F19-T49 HydrophobicContact CE2-CG2 3.99Å; F19-Y50 AromaticContact CD2-CD2 3.96Å; F19-Y50 HydrophobicContact CD2-CD2 3.96Å; F19-Y50 HydrophobicContact CE2-CD2 4.24Å; F19-Y50 HydrophobicContact CE2-CG 4.41Å; F19-Y50 HydrophobicContact CG-CD2 4.36Å; F19-V53 HydrophobicContact CB-CG1 4.26Å; F19-V53 HydrophobicContact CD2-CB 4.48Å; F19-V53 HydrophobicContact CD2-CG2 4.24Å; F19-P63 HydrophobicContact CB-CG 4.25Å; F19-P63 HydrophobicContact CD1-CB 3.99Å; F19-P63 HydrophobicContact CD1-CG 3.47Å; F19-P63 VanDerWaalsContact CD1-CG 3.47Å; F19-P63 HydrophobicContact CE1-CB 4.17Å; F19-P63 HydrophobicContact CE1-CG 4.01Å; F19-P63 HydrophobicContact CG-CG 3.95Å; F19-I65 HydrophobicContact CE1-CG2 4.13Å; F19-I66 HydrophobicContact CE1-CD1 4.27Å; F19-I66 HydrophobicContact CE1-CG1 4.07Å; F19-I66 HydrophobicContact CE2-CD1 4.31Å; F19-I66 HydrophobicContact CZ-CD1 3.64Å; F19-I66 HydrophobicContact CZ-CG1 3.85Å
20	E	70.1	Confident	59.6	Low	162 Å²	162	96.6 Å²	96.6	76%	0.757	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-64	-27.2	178.6	-68.2	170.6	-178.7	0	0	112.8	T18 V22	T18-E20 PolarHBondContact O-N 3.1Å; E20-V22 VanDerWaalsContact C-N 3.26Å; E20-V22 PolarHBondContact O-N 3.35Å
21	D	65.8	Low	61.5	Low	110 Å²	110	91.2 Å²	91.2	59%	0.588	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-73.9	-17.3	178.1	-60.3	-49.5	0	0	0	113.2	L17 T18 F19	L17-D21 HydrophobicContact CD2-CB 4.13Å; T18-D21 WeakPolarHBondContact CB-OD2 3.32Å; T18-D21 PolarHBondContact N-OD2 3.3Å; T18-D21 WeakPolarHBondContact O-CB 3.49Å; T18-D21 PolarHBondContact O-N 3.27Å; T18-D21 VanDerWaalsContact OG1-CG 3.26Å; T18-D21 PolarHBondContact OG1-OD2 3.39Å; F19-D21 PolarHBondContact O-N 3.04Å
22	V	67.4	Low	62.8	Low	68 Å²	68	90.6 Å²	90.6	41%	0.412	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-15	-174.8	-163.1	0	0	0	0	112	L17 F19 E20 T49	L17-V22 HydrophobicContact CD2-CG2 3.49Å; L17-V22 VanDerWaalsContact CD2-CG2 3.49Å; F19-V22 PolarHBondContact O-N 3.19Å; F19-V22 VanDerWaalsContact O-N 3.15Å; E20-V22 VanDerWaalsContact C-N 3.26Å; E20-V22 PolarHBondContact O-N 3.35Å; V22-T49 HydrophobicContact CB-CG2 4.1Å; V22-T49 HydrophobicContact CG1-CG2 3.81Å
23	A	71.9	Confident	64.2	Low	17 Å²	17	97.8 Å²	97.8	14%	0.14	51%	0.514	C	S	.	.			trans	-70	128.9	178.6	0	0	0	0	0	111.2	F19 L25 M46	F19-A23 HydrophobicContact CD1-CB 3.89Å; F19-A23 HydrophobicContact CE1-CB 3.58Å; F19-A23 HydrophobicContact CE2-CB 4.47Å; F19-A23 HydrophobicContact CG-CB 4.49Å; F19-A23 HydrophobicContact CZ-CB 3.88Å; F19-A23 WeakPolarHBondContact O-CB 3.36Å; F19-A23 PolarHBondContact O-N 3.2Å; A23-L25 HydrophobicContact CB-CD2 4.41Å; A23-L25 PolarHBondContact O-N 3.28Å; A23-M46 HydrophobicContact CB-CE 3.92Å
24	V	74	Confident	65.4	Low	89 Å²	89	93.1 Å²	93.1	54%	0.539	48%	0.482	S	S	.	.			trans	-89.7	96	171.5	-178.7	0	0	0	0	107.5	Y42 M46	V24-Y42 WeakPolarHBondContact O-CE2 3.32Å; V24-Y42 PolarHBondContact O-OH 3.41Å; V24-M46 HydrophobicContact CB-SD 4.41Å
25	L	72.1	Confident	66.7	Low	111 Å²	111	86.8 Å²	86.8	58%	0.581	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-83.8	128	176.4	-59.6	178	0	0	0	109.7	A23 M46 I65	A23-L25 HydrophobicContact CB-CD2 4.41Å; A23-L25 PolarHBondContact O-N 3.28Å; L25-M46 HydrophobicContact CD2-CE 4.23Å; L25-I65 HydrophobicContact CD2-CD1 3.55Å; L25-I65 HydrophobicContact CD2-CG2 4.5Å
26	L	71	Confident	67.8	Low	57 Å²	57	87.6 Å²	87.6	30%	0.298	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-98.4	142.3	175.7	-67.9	175.3	0	0	0	110.5	E30 W31 L34 Y42	L26-E30 HydrophobicContact CB-CB 4.46Å; L26-E30 HydrophobicContact CD2-CB 4.23Å; L26-W31 HydrophobicContact CB-CE3 4.4Å; L26-W31 HydrophobicContact CD1-CE3 3.8Å; L26-W31 HydrophobicContact CD1-CZ3 4.34Å; L26-L34 HydrophobicContact CD1-CD1 3.56Å; L26-Y42 HydrophobicContact CB-CE2 4.47Å; L26-Y42 HydrophobicContact CD1-CD2 3.47Å; L26-Y42 VanDerWaalsContact CD1-CD2 3.47Å; L26-Y42 HydrophobicContact CD1-CE2 3.48Å; L26-Y42 VanDerWaalsContact CD1-CE2 3.48Å; L26-Y42 HydrophobicContact CD1-CG 4.14Å; L26-Y42 HydrophobicContact CG-CD2 4.07Å; L26-Y42 HydrophobicContact CG-CE2 3.56Å
27	S	70.2	Confident	68.3	Low	58 Å²	58	83 Å²	83	41%	0.406	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-75.1	162.8	168	65.4	0	0	0	0	111.6	D29 E30 W31	S27-D29 VanDerWaalsContact C-N 3.33Å; S27-D29 PolarHBondContact O-N 2.83Å; S27-E30 WeakPolarHBondContact CB-OE2 3.41Å; S27-E30 PolarHBondContact N-OE2 3.32Å; S27-E30 PolarHBondContact O-N 3.17Å; S27-E30 VanDerWaalsContact OG-CG 3.25Å; S27-E30 WeakPolarHBondContact OG-CG 3.4Å; S27-E30 PolarHBondContact OG-OE2 3.3Å; S27-W31 PolarHBondContact O-N 3.36Å
28	Q	58.6	Low	68.7	Low	77 Å²	77	82.7 Å²	82.7	36%	0.36	45%	0.446	S	S	.	.	H	α-helix	trans	-46.7	-54.2	174.6	-178.3	64.3	47.3	0	0	112.9	E30 W31 D32	Q28-E30 VanDerWaalsContact C-N 3.27Å; Q28-E30 PolarHBondContact O-N 2.88Å; Q28-W31 PolarHBondContact O-N 3.47Å; Q28-D32 PolarHBondContact NE2-OD2 2.78Å; Q28-D32 PolarHBondContact O-N 2.83Å
29	D	57.3	Low	69.3	Low	114 Å²	114	82.7 Å²	82.7	61%	0.61	44%	0.439	S	S	*	.	H	α-helix	trans	-68	-29	-174.3	-68	-28.4	0	0	0	112.2	S27 R33	S27-D29 VanDerWaalsContact C-N 3.33Å; S27-D29 PolarHBondContact O-N 2.83Å; D29-R33 VanDerWaalsContact O-CD 3.29Å; D29-R33 WeakPolarHBondContact O-CD 3.48Å; D29-R33 VanDerWaalsContact O-CG 3.24Å; D29-R33 WeakPolarHBondContact O-CG 3.19Å; D29-R33 PolarHBondContact O-NE 3.49Å
30	E	65.9	Low	69.3	Low	101 Å²	101	83.3 Å²	83.3	47%	0.472	45%	0.45	S	S	.	.	H	α-helix	trans	-74.9	-38.8	175.3	-71.3	168.8	139.3	0	0	111	L26 S27 Q28 R33	L26-E30 HydrophobicContact CB-CB 4.46Å; L26-E30 HydrophobicContact CD2-CB 4.23Å; S27-E30 WeakPolarHBondContact CB-OE2 3.41Å; S27-E30 PolarHBondContact N-OE2 3.32Å; S27-E30 PolarHBondContact O-N 3.17Å; S27-E30 VanDerWaalsContact OG-CG 3.25Å; S27-E30 WeakPolarHBondContact OG-CG 3.4Å; S27-E30 PolarHBondContact OG-OE2 3.3Å; Q28-E30 VanDerWaalsContact C-N 3.27Å; Q28-E30 PolarHBondContact O-N 2.88Å; E30-R33 PolarHBondContact O-N 3.36Å
31	W	76.3	Confident	69.5	Low	7 Å²	7	80.9 Å²	80.9	3%	0.027	44%	0.442	C	S	.	.	H	α-helix	trans	-68.7	-41.1	177.1	-169.6	-79.5	0	0	0	113	L26 S27 Q28 R33 L34 R39 Y42 L69 P75 W76	L26-W31 HydrophobicContact CB-CE3 4.4Å; L26-W31 HydrophobicContact CD1-CE3 3.8Å; L26-W31 HydrophobicContact CD1-CZ3 4.34Å; S27-W31 PolarHBondContact O-N 3.36Å; Q28-W31 PolarHBondContact O-N 3.47Å; W31-R33 PolarHBondContact O-N 3.48Å; W31-R33 VanDerWaalsContact O-N 3.09Å; W31-L34 HydrophobicContact CD2-CD1 4.37Å; W31-L34 HydrophobicContact CE3-CD1 4.3Å; W31-L34 WeakPolarHBondContact O-CB 3.32Å; W31-L34 PolarHBondContact O-N 3.26Å; W31-R39 HydrophobicContact CD2-CG 4.39Å; W31-R39 HydrophobicContact CH2-CB 4.42Å; W31-R39 HydrophobicContact CZ2-CB 3.74Å; W31-R39 HydrophobicContact CZ2-CG 3.75Å; W31-R39 PolarHBondContact O-NH2 3.39Å; W31-Y42 HydrophobicContact CE3-CD1 4.27Å; W31-Y42 HydrophobicContact CE3-CE1 4.36Å; W31-Y42 AromaticContact CH2-CD1 3.61Å; W31-Y42 HydrophobicContact CH2-CD1 3.61Å; W31-Y42 HydrophobicContact CH2-CE1 4.1Å; W31-Y42 HydrophobicContact CH2-CG 4.34Å; W31-Y42 AromaticContact CZ3-CD1 3.17Å; W31-Y42 HydrophobicContact CZ3-CD1 3.17Å; W31-Y42 AromaticContact CZ3-CE1 3.38Å; W31-Y42 HydrophobicContact CZ3-CE1 3.38Å; W31-Y42 AromaticContact CZ3-CG 3.79Å; W31-Y42 HydrophobicContact CZ3-CG 3.79Å; W31-L69 HydrophobicContact CH2-CD2 4.39Å; W31-P75 HydrophobicContact CE3-CG 4.22Å; W31-P75 HydrophobicContact CH2-CG 3.66Å; W31-P75 HydrophobicContact CZ2-CG 4.26Å; W31-P75 HydrophobicContact CZ3-CG 3.62Å; W31-W76 HydrophobicContact CB-CD2 4.46Å; W31-W76 HydrophobicContact CB-CE3 3.83Å; W31-W76 HydrophobicContact CB-CH2 4.08Å; W31-W76 HydrophobicContact CB-CZ2 4.37Å; W31-W76 HydrophobicContact CB-CZ3 3.65Å; W31-W76 AromaticContact CD1-CH2 2.77Å; W31-W76 AromaticContact CD1-CZ2 3.14Å; W31-W76 AromaticContact CD1-CZ3 3.2Å; W31-W76 AromaticContact CD2-CE3 3.99Å; W31-W76 HydrophobicContact CD2-CE3 3.99Å; W31-W76 AromaticContact CD2-CH2 3.4Å; W31-W76 HydrophobicContact CD2-CH2 3.4Å; W31-W76 VanDerWaalsContact CD2-CH2 3.4Å; W31-W76 HydrophobicContact CD2-CZ2 4.41Å; W31-W76 AromaticContact CD2-CZ3 3.01Å; W31-W76 HydrophobicContact CD2-CZ3 3.01Å; W31-W76 AromaticContact CE2-CH2 3.1Å; W31-W76 AromaticContact CE2-CZ3 3.18Å; W31-W76 HydrophobicContact CE3-CE3 4.36Å; W31-W76 HydrophobicContact CE3-CH2 4.34Å; W31-W76 AromaticContact CE3-CZ3 3.57Å; W31-W76 HydrophobicContact CE3-CZ3 3.57Å; W31-W76 HydrophobicContact CG-CD2 4.46Å; W31-W76 AromaticContact CG-CE3 3.7Å; W31-W76 HydrophobicContact CG-CE3 3.7Å; W31-W76 AromaticContact CG-CH2 3.18Å; W31-W76 HydrophobicContact CG-CH2 3.18Å; W31-W76 AromaticContact CG-CZ2 3.76Å; W31-W76 HydrophobicContact CG-CZ2 3.76Å; W31-W76 AromaticContact CG-CZ3 2.99Å; W31-W76 HydrophobicContact CG-CZ3 2.99Å; W31-W76 HydrophobicContact CH2-CZ3 4.26Å; W31-W76 AromaticContact CZ2-CH2 3.83Å; W31-W76 HydrophobicContact CZ2-CH2 3.83Å; W31-W76 AromaticContact CZ2-CZ3 3.82Å; W31-W76 HydrophobicContact CZ2-CZ3 3.82Å; W31-W76 HydrophobicContact CZ3-CZ3 4.12Å; W31-W76 AromaticContact NE1-CH2 2.76Å; W31-W76 AromaticContact NE1-CZ2 3.49Å; W31-W76 AromaticContact NE1-CZ3 3.35Å; W31-W76 VanDerWaalsContact NE1-CZ3 3.35Å
32	D	66.8	Low	70.2	Confident	90 Å²	90	76.8 Å²	76.8	48%	0.481	42%	0.418	S	S	.	.	H	α-helix	trans	-63	-19	178.8	-74.3	-29.1	0	0	0	112.7	Q28 R39	Q28-D32 PolarHBondContact NE2-OD2 2.78Å; Q28-D32 PolarHBondContact O-N 2.83Å; D32-R39 IonicContact OD1-NH2 3.93Å
33	R	69.6	Low	70.7	Confident	208 Å²	208	78.1 Å²	78.1	79%	0.785	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-9.1	173.6	-66.8	171.3	-175.2	-153.6	1.3	114.2	D29 E30 W31	D29-R33 VanDerWaalsContact O-CD 3.29Å; D29-R33 WeakPolarHBondContact O-CD 3.48Å; D29-R33 VanDerWaalsContact O-CG 3.24Å; D29-R33 WeakPolarHBondContact O-CG 3.19Å; D29-R33 PolarHBondContact O-NE 3.49Å; E30-R33 PolarHBondContact O-N 3.36Å; W31-R33 PolarHBondContact O-N 3.48Å; W31-R33 VanDerWaalsContact O-N 3.09Å
34	L	71.1	Confident	70.7	Confident	39 Å²	39	82.2 Å²	82.2	20%	0.204	44%	0.436	C	S	.	.	S	Bend	trans	-83.3	132	178.4	-62.8	-175.1	0	0	0	111.4	L26 W31 Q38 R39	L26-L34 HydrophobicContact CD1-CD1 3.56Å; W31-L34 HydrophobicContact CD2-CD1 4.37Å; W31-L34 HydrophobicContact CE3-CD1 4.3Å; W31-L34 WeakPolarHBondContact O-CB 3.32Å; W31-L34 PolarHBondContact O-N 3.26Å; L34-Q38 HydrophobicContact CB-CB 4.05Å; L34-Q38 HydrophobicContact CD2-CB 4.07Å; L34-Q38 HydrophobicContact CG-CB 4.47Å; L34-R39 HydrophobicContact CB-CG 3.69Å; L34-R39 HydrophobicContact CD1-CG 4.45Å; L34-R39 PolarHBondContact O-NE 3.45Å
35	C	72	Confident	70.9	Confident	59 Å²	59	81.1 Å²	81.1	40%	0.399	43%	0.429	S	S	.	.			trans	-73.2	162.6	170.7	79.7	0	0	0	0	111.1	A37 Q38 R39	C35-A37 PolarHBondContact O-N 2.95Å; C35-A37 VanDerWaalsContact O-N 3.11Å; C35-Q38 WeakPolarHBondContact O-CB 3.3Å; C35-Q38 PolarHBondContact O-N 2.97Å; C35-Q38 PolarHBondContact SG-OE1 3.1Å; C35-R39 PolarHBondContact O-N 3.36Å
36	P	71.8	Confident	71.3	Confident	113 Å²	113	75.9 Å²	75.9	73%	0.734	40%	0.401	S	S	*	.	H	α-helix	trans	-54.5	-35.9	-175.8	-28.7	36	0	0	0	114.7	R39 G40	P36-R39 PolarHBondContact O-N 2.92Å; P36-G40 PolarHBondContact O-N 3.32Å
37	A	68.3	Low	71.3	Confident	79 Å²	79	75.9 Å²	75.9	65%	0.653	40%	0.4	S	S	*	.	H	α-helix	trans	-68.2	-36.2	176.6	0	0	0	0	0	112.7	C35 G40 L41	C35-A37 PolarHBondContact O-N 2.95Å; C35-A37 VanDerWaalsContact O-N 3.11Å; A37-G40 PolarHBondContact O-N 3.11Å; A37-L41 PolarHBondContact O-N 2.87Å
38	Q	66.6	Low	71.6	Confident	96 Å²	96	79.1 Å²	79.1	45%	0.449	41%	0.409	S	S	.	.	H	α-helix	trans	-72.5	-37.3	176.7	-70.4	171.3	-43.9	0	0	112	L34 C35 G40 L41 Y42	L34-Q38 HydrophobicContact CB-CB 4.05Å; L34-Q38 HydrophobicContact CD2-CB 4.07Å; L34-Q38 HydrophobicContact CG-CB 4.47Å; C35-Q38 WeakPolarHBondContact O-CB 3.3Å; C35-Q38 PolarHBondContact O-N 2.97Å; C35-Q38 PolarHBondContact SG-OE1 3.1Å; Q38-G40 VanDerWaalsContact C-N 3.32Å; Q38-L41 PolarHBondContact O-N 3.21Å; Q38-Y42 WeakPolarHBondContact O-CB 3.37Å; Q38-Y42 PolarHBondContact O-N 3.41Å
39	R	79.3	Confident	72.3	Confident	63 Å²	63	76.7 Å²	76.7	24%	0.238	40%	0.4	C	S	.	.	H	α-helix	trans	-62.2	-41.3	172.4	-63.2	177.1	-179.8	-152.7	-8.3	111.2	W31 D32 L34 C35 P36 Y42 R43	W31-R39 HydrophobicContact CD2-CG 4.39Å; W31-R39 HydrophobicContact CH2-CB 4.42Å; W31-R39 HydrophobicContact CZ2-CB 3.74Å; W31-R39 HydrophobicContact CZ2-CG 3.75Å; W31-R39 PolarHBondContact O-NH2 3.39Å; D32-R39 IonicContact OD1-NH2 3.93Å; L34-R39 HydrophobicContact CB-CG 3.69Å; L34-R39 HydrophobicContact CD1-CG 4.45Å; L34-R39 PolarHBondContact O-NE 3.45Å; C35-R39 PolarHBondContact O-N 3.36Å; P36-R39 PolarHBondContact O-N 2.92Å; R39-Y42 PolarHBondContact O-N 3.4Å; R39-R43 PolarHBondContact O-N 3.04Å
40	G	70	Confident	73.3	Confident	31 Å²	31	73.2 Å²	73.2	32%	0.32	38%	0.378	S	S	.	.	H	α-helix	trans	-61.7	-42.9	172.7	0	0	0	0	0	113	P36 A37 Q38 R43 N44	P36-G40 PolarHBondContact O-N 3.32Å; A37-G40 PolarHBondContact O-N 3.11Å; Q38-G40 VanDerWaalsContact C-N 3.32Å; G40-R43 PolarHBondContact O-N 3.49Å; G40-N44 PolarHBondContact O-N 3.13Å; G40-N44 VanDerWaalsContact O-N 3.08Å
41	L	73.8	Confident	73.7	Confident	111 Å²	111	69.9 Å²	69.9	58%	0.581	37%	0.371	S	S	*	.	H	α-helix	trans	-64.1	-44.2	175.6	-176.1	64.9	0	0	0	111.8	A37 Q38 R43 N44 V45	A37-L41 PolarHBondContact O-N 2.87Å; Q38-L41 PolarHBondContact O-N 3.21Å; L41-R43 VanDerWaalsContact C-N 3.33Å; L41-R43 PolarHBondContact O-N 3.46Å; L41-N44 PolarHBondContact O-N 3.08Å; L41-V45 HydrophobicContact CD1-CG2 4.33Å; L41-V45 HydrophobicContact CG-CG2 4.38Å; L41-V45 WeakPolarHBondContact O-CG2 3.48Å; L41-V45 PolarHBondContact O-N 2.81Å
42	Y	80.8	Confident	73.5	Confident	24 Å²	24	73.8 Å²	73.8	9%	0.094	39%	0.392	C	S	.	.	H	α-helix	trans	-57.4	-46.4	176	178.1	-87.2	0	0	0	111.6	V24 L26 W31 Q38 R39 N44 V45 M46 L69	V24-Y42 WeakPolarHBondContact O-CE2 3.32Å; V24-Y42 PolarHBondContact O-OH 3.41Å; L26-Y42 HydrophobicContact CB-CE2 4.47Å; L26-Y42 HydrophobicContact CD1-CD2 3.47Å; L26-Y42 VanDerWaalsContact CD1-CD2 3.47Å; L26-Y42 HydrophobicContact CD1-CE2 3.48Å; L26-Y42 VanDerWaalsContact CD1-CE2 3.48Å; L26-Y42 HydrophobicContact CD1-CG 4.14Å; L26-Y42 HydrophobicContact CG-CD2 4.07Å; L26-Y42 HydrophobicContact CG-CE2 3.56Å; W31-Y42 HydrophobicContact CE3-CD1 4.27Å; W31-Y42 HydrophobicContact CE3-CE1 4.36Å; W31-Y42 AromaticContact CH2-CD1 3.61Å; W31-Y42 HydrophobicContact CH2-CD1 3.61Å; W31-Y42 HydrophobicContact CH2-CE1 4.1Å; W31-Y42 HydrophobicContact CH2-CG 4.34Å; W31-Y42 AromaticContact CZ3-CD1 3.17Å; W31-Y42 HydrophobicContact CZ3-CD1 3.17Å; W31-Y42 AromaticContact CZ3-CE1 3.38Å; W31-Y42 HydrophobicContact CZ3-CE1 3.38Å; W31-Y42 AromaticContact CZ3-CG 3.79Å; W31-Y42 HydrophobicContact CZ3-CG 3.79Å; Q38-Y42 WeakPolarHBondContact O-CB 3.37Å; Q38-Y42 PolarHBondContact O-N 3.41Å; R39-Y42 PolarHBondContact O-N 3.4Å; Y42-N44 VanDerWaalsContact C-N 3.34Å; Y42-N44 PolarHBondContact O-N 3.38Å; Y42-V45 PolarHBondContact O-N 3.27Å; Y42-M46 HydrophobicContact CD1-CG 3.91Å; Y42-M46 HydrophobicContact CD2-CG 4.33Å; Y42-M46 HydrophobicContact CE1-CG 3.51Å; Y42-M46 HydrophobicContact CE2-CG 3.95Å; Y42-M46 HydrophobicContact CE2-SD 4.19Å; Y42-M46 HydrophobicContact CG-CG 4.34Å; Y42-M46 WeakPolarHBondContact O-CB 3.42Å; Y42-M46 VanDerWaalsContact O-CG 3.27Å; Y42-M46 WeakPolarHBondContact O-CG 3.41Å; Y42-M46 PolarHBondContact O-N 3.47Å; Y42-L69 HydrophobicContact CE1-CD1 4.32Å
43	R	76.6	Confident	73.7	Confident	96 Å²	96	70.5 Å²	70.5	36%	0.362	38%	0.375	S	S	.	.	H	α-helix	trans	-56.9	-47.3	175.7	-175.2	177.5	-164.8	-142.2	8.2	111.5	R39 G40 L41 M46 M47 L69 E70	R39-R43 PolarHBondContact O-N 3.04Å; G40-R43 PolarHBondContact O-N 3.49Å; L41-R43 VanDerWaalsContact C-N 3.33Å; L41-R43 PolarHBondContact O-N 3.46Å; R43-M46 PolarHBondContact O-N 3.14Å; R43-M47 WeakPolarHBondContact O-CB 3.43Å; R43-M47 WeakPolarHBondContact O-CG 3.46Å; R43-M47 PolarHBondContact O-N 3.47Å; R43-L69 HydrophobicContact CB-CD2 4.22Å; R43-L69 HydrophobicContact CG-CB 4.3Å; R43-L69 HydrophobicContact CG-CD2 4.06Å; R43-L69 PolarHBondContact NE-O 3.16Å; R43-L69 PolarHBondContact NH2-O 2.96Å; R43-E70 PolarHBondContact NH2-O 3.13Å; R43-E70 VanDerWaalsContact NH2-O 3.15Å
44	N	73.1	Confident	73.7	Confident	104 Å²	104	64 Å²	64	56%	0.556	36%	0.358	S	S	*	.	H	α-helix	trans	-62.7	-45.7	179.8	-69.3	-15.2	0	0	0	111.9	G40 L41 Y42 M47 E48	G40-N44 PolarHBondContact O-N 3.13Å; G40-N44 VanDerWaalsContact O-N 3.08Å; L41-N44 PolarHBondContact O-N 3.08Å; Y42-N44 VanDerWaalsContact C-N 3.34Å; Y42-N44 PolarHBondContact O-N 3.38Å; N44-M47 PolarHBondContact O-N 2.95Å; N44-E48 WeakPolarHBondContact O-CB 3.37Å; N44-E48 PolarHBondContact O-N 3.05Å
45	V	77.3	Confident	73.6	Confident	65 Å²	65	66.9 Å²	66.9	39%	0.394	38%	0.382	S	S	.	.	H	α-helix	trans	-62.8	-46	179.3	172.3	0	0	0	0	110.8	L41 Y42 M47 E48 T49	L41-V45 HydrophobicContact CD1-CG2 4.33Å; L41-V45 HydrophobicContact CG-CG2 4.38Å; L41-V45 WeakPolarHBondContact O-CG2 3.48Å; L41-V45 PolarHBondContact O-N 2.81Å; Y42-V45 PolarHBondContact O-N 3.27Å; V45-M47 PolarHBondContact O-N 3.36Å; V45-E48 PolarHBondContact O-N 3.18Å; V45-T49 WeakPolarHBondContact O-CB 3.45Å; V45-T49 PolarHBondContact O-N 3.22Å; V45-T49 PolarHBondContact O-OG1 3.13Å
46	M	80.4	Confident	73.6	Confident	1 Å²	1	70.1 Å²	70.1	1%	0.005	40%	0.395	C	S	.	.	H	α-helix	trans	-65.2	-37.3	-179.9	-67.3	-64.1	-78.2	0	0	112.7	F19 A23 V24 L25 Y42 R43 Y50 I65 I66 L69	F19-M46 HydrophobicContact CE1-CE 4.36Å; F19-M46 HydrophobicContact CZ-CE 4.02Å; A23-M46 HydrophobicContact CB-CE 3.92Å; V24-M46 HydrophobicContact CB-SD 4.41Å; L25-M46 HydrophobicContact CD2-CE 4.23Å; Y42-M46 HydrophobicContact CD1-CG 3.91Å; Y42-M46 HydrophobicContact CD2-CG 4.33Å; Y42-M46 HydrophobicContact CE1-CG 3.51Å; Y42-M46 HydrophobicContact CE2-CG 3.95Å; Y42-M46 HydrophobicContact CE2-SD 4.19Å; Y42-M46 HydrophobicContact CG-CG 4.34Å; Y42-M46 WeakPolarHBondContact O-CB 3.42Å; Y42-M46 VanDerWaalsContact O-CG 3.27Å; Y42-M46 WeakPolarHBondContact O-CG 3.41Å; Y42-M46 PolarHBondContact O-N 3.47Å; R43-M46 PolarHBondContact O-N 3.14Å; M46-Y50 WeakPolarHBondContact O-CB 3.44Å; M46-Y50 PolarHBondContact O-N 2.62Å; M46-I65 HydrophobicContact CE-CD1 4.38Å; M46-I66 HydrophobicContact CB-CD1 4.21Å; M46-I66 WeakPolarHBondContact O-CD1 3.37Å; M46-L69 HydrophobicContact CB-CD1 3.8Å; M46-L69 HydrophobicContact CG-CD1 4.35Å
47	M	72.4	Confident	72.8	Confident	57 Å²	57	67.8 Å²	67.8	28%	0.281	39%	0.391	S	S	.	.	H	α-helix	trans	-68	-40.3	175	-69	-59.4	-65.2	0	0	112.1	R43 N44 V45 Y50 G51 I66 E70	R43-M47 WeakPolarHBondContact O-CB 3.43Å; R43-M47 WeakPolarHBondContact O-CG 3.46Å; R43-M47 PolarHBondContact O-N 3.47Å; N44-M47 PolarHBondContact O-N 2.95Å; V45-M47 PolarHBondContact O-N 3.36Å; M47-Y50 PolarHBondContact O-N 3.15Å; M47-G51 PolarHBondContact O-N 3.25Å; M47-I66 HydrophobicContact CE-CG2 4.24Å; M47-I66 HydrophobicContact SD-CD1 4.23Å; M47-I66 HydrophobicContact SD-CG2 3.76Å; M47-E70 HydrophobicContact CE-CG 3.52Å; M47-E70 WeakPolarHBondContact CE-OE1 2.96Å; M47-E70 HydrophobicContact SD-CG 4.03Å
48	E	76.8	Confident	72.2	Confident	126 Å²	126	66.9 Å²	66.9	59%	0.589	38%	0.375	S	S	*	.	H	α-helix	trans	-67.6	-43.2	176.6	-171.7	178.5	173.8	0	0	111.4	N44 V45 Y50 G51 N52	N44-E48 WeakPolarHBondContact O-CB 3.37Å; N44-E48 PolarHBondContact O-N 3.05Å; V45-E48 PolarHBondContact O-N 3.18Å; E48-Y50 VanDerWaalsContact C-N 3.32Å; E48-Y50 PolarHBondContact O-N 2.87Å; E48-G51 PolarHBondContact O-N 3.45Å; E48-N52 WeakPolarHBondContact O-CB 3.45Å; E48-N52 PolarHBondContact O-N 3.4Å; E48-N52 PolarHBondContact O-ND2 3.14Å
49	T	73	Confident	71.3	Confident	26 Å²	26	68.8 Å²	68.8	16%	0.16	40%	0.396	C	S	.	.	H	α-helix	trans	-59	-43	173.4	-58.4	0	0	0	0	111.2	F19 V22 V45 N52 V53	F19-T49 HydrophobicContact CD2-CG2 4.4Å; F19-T49 HydrophobicContact CE2-CG2 3.99Å; V22-T49 HydrophobicContact CB-CG2 4.1Å; V22-T49 HydrophobicContact CG1-CG2 3.81Å; V45-T49 WeakPolarHBondContact O-CB 3.45Å; V45-T49 PolarHBondContact O-N 3.22Å; V45-T49 PolarHBondContact O-OG1 3.13Å; T49-N52 PolarHBondContact O-N 3.39Å; T49-V53 VanDerWaalsContact O-CG2 3.29Å; T49-V53 WeakPolarHBondContact O-CG2 3.5Å; T49-V53 PolarHBondContact O-N 3.45Å
50	Y	77.4	Confident	70.4	Confident	42 Å²	42	68.5 Å²	68.5	17%	0.165	41%	0.412	C	S	.	.	H	α-helix	trans	-65	-45	176.6	179.3	-112.8	0	0	0	111.7	F19 M46 M47 E48 N52 V53 V54 K62 P63 I66	F19-Y50 AromaticContact CD2-CD2 3.96Å; F19-Y50 HydrophobicContact CD2-CD2 3.96Å; F19-Y50 HydrophobicContact CE2-CD2 4.24Å; F19-Y50 HydrophobicContact CE2-CG 4.41Å; F19-Y50 HydrophobicContact CG-CD2 4.36Å; M46-Y50 WeakPolarHBondContact O-CB 3.44Å; M46-Y50 PolarHBondContact O-N 2.62Å; M47-Y50 PolarHBondContact O-N 3.15Å; E48-Y50 VanDerWaalsContact C-N 3.32Å; E48-Y50 PolarHBondContact O-N 2.87Å; Y50-N52 VanDerWaalsContact C-N 3.28Å; Y50-N52 PolarHBondContact O-N 3.33Å; Y50-V53 PolarHBondContact O-N 2.84Å; Y50-V54 HydrophobicContact CD1-CG2 4.3Å; Y50-V54 HydrophobicContact CD2-CG2 4.14Å; Y50-V54 HydrophobicContact CE1-CG2 3.86Å; Y50-V54 HydrophobicContact CE2-CG2 3.65Å; Y50-V54 HydrophobicContact CG-CG2 4.43Å; Y50-V54 WeakPolarHBondContact O-CG2 3.37Å; Y50-V54 PolarHBondContact O-N 3.3Å; Y50-K62 HydrophobicContact CE1-CG 4.2Å; Y50-K62 WeakPolarHBondContact OH-CA 3.49Å; Y50-P63 HydrophobicContact CD2-CG 4.29Å; Y50-P63 HydrophobicContact CE2-CG 4.21Å; Y50-I66 HydrophobicContact CD1-CG1 4.45Å; Y50-I66 HydrophobicContact CD1-CG2 3.71Å; Y50-I66 HydrophobicContact CD2-CG1 4.21Å; Y50-I66 HydrophobicContact CE1-CG2 4.09Å; Y50-I66 HydrophobicContact CG-CD1 4.39Å; Y50-I66 HydrophobicContact CG-CG1 3.95Å; Y50-I66 HydrophobicContact CG-CG2 4.08Å
51	G	74.6	Confident	70	Confident	30 Å²	30	72.5 Å²	72.5	31%	0.309	44%	0.435	S	S	.	.	H	α-helix	trans	-58.7	-38.9	176	0	0	0	0	0	113.2	M47 E48 S55	M47-G51 PolarHBondContact O-N 3.25Å; E48-G51 PolarHBondContact O-N 3.45Å; G51-S55 WeakPolarHBondContact O-CB 3.44Å; G51-S55 PolarHBondContact O-N 2.93Å; G51-S55 PolarHBondContact O-OG 2.99Å
52	N	72.8	Confident	70	Confident	89 Å²	89	70.9 Å²	70.9	48%	0.476	42%	0.423	S	S	.	.	H	α-helix	trans	-67.5	-43	175.3	-69.9	-26.5	0	0	0	111.8	E48 T49 Y50 V54 S55 L56	E48-N52 WeakPolarHBondContact O-CB 3.45Å; E48-N52 PolarHBondContact O-N 3.4Å; E48-N52 PolarHBondContact O-ND2 3.14Å; T49-N52 PolarHBondContact O-N 3.39Å; Y50-N52 VanDerWaalsContact C-N 3.28Å; Y50-N52 PolarHBondContact O-N 3.33Å; N52-V54 PolarHBondContact O-N 2.56Å; N52-S55 PolarHBondContact O-N 2.85Å; N52-L56 WeakPolarHBondContact O-CG 3.46Å; N52-L56 PolarHBondContact O-N 3.1Å
53	V	70.8	Confident	69.8	Low	21 Å²	21	71.2 Å²	71.2	13%	0.127	43%	0.429	C	S	.	.	H	α-helix	trans	-64.8	-39.3	177.2	172.9	0	0	0	0	111.7	F19 T49 Y50 L56	F19-V53 HydrophobicContact CB-CG1 4.26Å; F19-V53 HydrophobicContact CD2-CB 4.48Å; F19-V53 HydrophobicContact CD2-CG2 4.24Å; T49-V53 VanDerWaalsContact O-CG2 3.29Å; T49-V53 WeakPolarHBondContact O-CG2 3.5Å; T49-V53 PolarHBondContact O-N 3.45Å; Y50-V53 PolarHBondContact O-N 2.84Å; V53-L56 PolarHBondContact O-N 3.12Å
54	V	69.6	Low	69.6	Low	71 Å²	71	72.7 Å²	72.7	43%	0.43	44%	0.444	S	S	.	.	H	α-helix	trans	-67.2	-38	174.9	173.3	0	0	0	0	111.5	Y50 N52 L56 G57	Y50-V54 HydrophobicContact CD1-CG2 4.3Å; Y50-V54 HydrophobicContact CD2-CG2 4.14Å; Y50-V54 HydrophobicContact CE1-CG2 3.86Å; Y50-V54 HydrophobicContact CE2-CG2 3.65Å; Y50-V54 HydrophobicContact CG-CG2 4.43Å; Y50-V54 WeakPolarHBondContact O-CG2 3.37Å; Y50-V54 PolarHBondContact O-N 3.3Å; N52-V54 PolarHBondContact O-N 2.56Å; V54-L56 PolarHBondContact O-N 3.48Å; V54-G57 PolarHBondContact O-N 2.65Å
55	S	69.3	Low	69.5	Low	100 Å²	100	69.2 Å²	69.2	70%	0.699	43%	0.425	S	S	*	.	H	α-helix	trans	-66.9	-19.7	178.2	-60.3	0	0	0	0	113.5	G51 N52 G57	G51-S55 WeakPolarHBondContact O-CB 3.44Å; G51-S55 PolarHBondContact O-N 2.93Å; G51-S55 PolarHBondContact O-OG 2.99Å; N52-S55 PolarHBondContact O-N 2.85Å; S55-G57 PolarHBondContact O-N 3.12Å
56	L	70.9	Confident	69.6	Low	128 Å²	128	66.1 Å²	66.1	67%	0.67	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	5.8	171.8	-65.1	172.5	0	0	0	113.2	N52 V53 V54 L58	N52-L56 WeakPolarHBondContact O-CG 3.46Å; N52-L56 PolarHBondContact O-N 3.1Å; V53-L56 PolarHBondContact O-N 3.12Å; V54-L56 PolarHBondContact O-N 3.48Å; L56-L58 PolarHBondContact O-N 3.06Å
57	G	54.9	Low	69.4	Low	63 Å²	63	67.6 Å²	67.6	65%	0.649	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.2	20.5	170	0	0	0	0	0	114.5	V54 S55	V54-G57 PolarHBondContact O-N 2.65Å; S55-G57 PolarHBondContact O-N 3.12Å
58	L	55.9	Low	69.5	Low	61 Å²	61	67.6 Å²	67.6	32%	0.319	42%	0.416	S	S	.	.			trans	-93.5	117	-177.7	-64.8	173.4	0	0	0	110.3	L17 L56 G60	L17-L58 WeakPolarHBondContact O-CD1 2.92Å; L56-L58 PolarHBondContact O-N 3.06Å; L58-G60 PolarHBondContact O-N 2.77Å
59	P	48.7	Very low	69.4	Low	136 Å²	136	61.8 Å²	61.8	88%	0.883	39%	0.389	S	S	*	.			trans	-79.6	88.6	-177.7	30.9	-31.3	0	0	0	109.5
60	G	59.3	Low	69.6	Low	57 Å²	57	65 Å²	65	59%	0.588	40%	0.402	S	S	*	.			trans	-107.2	140.6	168.8	0	0	0	0	0	110.9	L58	L58-G60 PolarHBondContact O-N 2.77Å
61	S	61.8	Low	69.1	Low	115 Å²	115	70.8 Å²	70.8	80%	0.804	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-59.2	138.5	165.9	49.1	0	0	0	0	109.4	P63	S61-P63 WeakPolarHBondContact O-CD 3.42Å
62	K	72.8	Confident	68.6	Low	76 Å²	76	71.9 Å²	71.9	33%	0.33	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-54.8	121.4	-179.8	-173.6	176.8	-165.8	160.4	0	110.9	Y50 I66 E70	Y50-K62 HydrophobicContact CE1-CG 4.2Å; Y50-K62 WeakPolarHBondContact OH-CA 3.49Å; K62-I66 HydrophobicContact CD-CG2 4.49Å; K62-I66 HydrophobicContact CG-CB 4.39Å; K62-I66 HydrophobicContact CG-CG2 4.18Å; K62-E70 WeakPolarHBondContact CE-OE1 3.26Å; K62-E70 WeakPolarHBondContact CE-OE2 3.46Å; K62-E70 IonicContact NZ-OE1 3.01Å; K62-E70 PolarHBondContact NZ-OE1 3.16Å; K62-E70 IonicContact NZ-OE2 3.98Å; K62-E70 PolarHBondContact NZ-OE2 3.12Å
63	P	76.9	Confident	68.3	Low	32 Å²	32	71.9 Å²	71.9	21%	0.208	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-62.3	142.5	-179.3	-23.8	33.7	0	0	0	112.2	F19 Y50 S61 I65 I66 S67	F19-P63 HydrophobicContact CB-CG 4.25Å; F19-P63 HydrophobicContact CD1-CB 3.99Å; F19-P63 HydrophobicContact CD1-CG 3.47Å; F19-P63 VanDerWaalsContact CD1-CG 3.47Å; F19-P63 HydrophobicContact CE1-CB 4.17Å; F19-P63 HydrophobicContact CE1-CG 4.01Å; F19-P63 HydrophobicContact CG-CG 3.95Å; Y50-P63 HydrophobicContact CD2-CG 4.29Å; Y50-P63 HydrophobicContact CE2-CG 4.21Å; S61-P63 WeakPolarHBondContact O-CD 3.42Å; P63-I65 HydrophobicContact CB-CG2 4.3Å; P63-I65 PolarHBondContact O-N 3.34Å; P63-I66 HydrophobicContact CB-CG1 4.28Å; P63-I66 HydrophobicContact CG-CG1 4.42Å; P63-I66 WeakPolarHBondContact O-CB 3.43Å; P63-I66 PolarHBondContact O-N 2.98Å; P63-S67 PolarHBondContact O-N 3.11Å; P63-S67 VanDerWaalsContact O-N 3.16Å
64	D	72.2	Confident	67.8	Low	127 Å²	127	74.6 Å²	74.6	68%	0.679	45%	0.446	S	S	*	.	H	α-helix	trans	-58.2	-36.2	-176.8	-74	-30.4	0	0	0	112.8	I66 S67 Q68	D64-I66 VanDerWaalsContact C-N 3.3Å; D64-I66 PolarHBondContact O-N 3.49Å; D64-S67 WeakPolarHBondContact O-CB 3.39Å; D64-S67 PolarHBondContact O-N 3.25Å; D64-S67 VanDerWaalsContact O-N 3.16Å; D64-Q68 WeakPolarHBondContact O-CG 3.39Å; D64-Q68 PolarHBondContact O-N 3.37Å
65	I	70.8	Confident	67.3	Low	31 Å²	31	72.3 Å²	72.3	16%	0.159	43%	0.432	C	S	.	.	H	α-helix	trans	-63.4	-35.2	177.1	-163	166.7	0	0	0	112.3	F19 L25 M46 P63 L69 P75	F19-I65 HydrophobicContact CE1-CG2 4.13Å; L25-I65 HydrophobicContact CD2-CD1 3.55Å; L25-I65 HydrophobicContact CD2-CG2 4.5Å; M46-I65 HydrophobicContact CE-CD1 4.38Å; P63-I65 HydrophobicContact CB-CG2 4.3Å; P63-I65 PolarHBondContact O-N 3.34Å; I65-L69 HydrophobicContact CG1-CD1 4.39Å; I65-L69 VanDerWaalsContact O-CB 3.28Å; I65-L69 WeakPolarHBondContact O-CB 3.41Å; I65-L69 WeakPolarHBondContact O-CG 3.41Å; I65-L69 PolarHBondContact O-N 2.87Å; I65-P75 HydrophobicContact CD1-CB 4.17Å; I65-P75 HydrophobicContact CG1-CB 3.8Å
66	I	79.7	Confident	66.8	Low	0 Å²	0	70 Å²	70	0%	0	41%	0.408	C	S	.	.	H	α-helix	trans	-71.1	-39	175.4	-63.3	-56.8	0	0	0	110	F19 M46 M47 Y50 K62 P63 D64 L69 E70	F19-I66 HydrophobicContact CE1-CD1 4.27Å; F19-I66 HydrophobicContact CE1-CG1 4.07Å; F19-I66 HydrophobicContact CE2-CD1 4.31Å; F19-I66 HydrophobicContact CZ-CD1 3.64Å; F19-I66 HydrophobicContact CZ-CG1 3.85Å; M46-I66 HydrophobicContact CB-CD1 4.21Å; M46-I66 WeakPolarHBondContact O-CD1 3.37Å; M47-I66 HydrophobicContact CE-CG2 4.24Å; M47-I66 HydrophobicContact SD-CD1 4.23Å; M47-I66 HydrophobicContact SD-CG2 3.76Å; Y50-I66 HydrophobicContact CD1-CG1 4.45Å; Y50-I66 HydrophobicContact CD1-CG2 3.71Å; Y50-I66 HydrophobicContact CD2-CG1 4.21Å; Y50-I66 HydrophobicContact CE1-CG2 4.09Å; Y50-I66 HydrophobicContact CG-CD1 4.39Å; Y50-I66 HydrophobicContact CG-CG1 3.95Å; Y50-I66 HydrophobicContact CG-CG2 4.08Å; K62-I66 HydrophobicContact CD-CG2 4.49Å; K62-I66 HydrophobicContact CG-CB 4.39Å; K62-I66 HydrophobicContact CG-CG2 4.18Å; P63-I66 HydrophobicContact CB-CG1 4.28Å; P63-I66 HydrophobicContact CG-CG1 4.42Å; P63-I66 WeakPolarHBondContact O-CB 3.43Å; P63-I66 PolarHBondContact O-N 2.98Å; D64-I66 VanDerWaalsContact C-N 3.3Å; D64-I66 PolarHBondContact O-N 3.49Å; I66-L69 PolarHBondContact O-N 3.08Å; I66-E70 WeakPolarHBondContact O-CG 3.43Å; I66-E70 PolarHBondContact O-N 3.21Å
67	S	77.6	Confident	65.1	Low	32 Å²	32	69.7 Å²	69.7	22%	0.224	41%	0.412	C	S	.	.	H	α-helix	trans	-65	-40.3	175.7	-59.7	0	0	0	0	112.5	P63 D64 R71	P63-S67 PolarHBondContact O-N 3.11Å; P63-S67 VanDerWaalsContact O-N 3.16Å; D64-S67 WeakPolarHBondContact O-CB 3.39Å; D64-S67 PolarHBondContact O-N 3.25Å; D64-S67 VanDerWaalsContact O-N 3.16Å; S67-R71 PolarHBondContact O-N 2.98Å
68	Q	72.8	Confident	64	Low	56 Å²	56	74.2 Å²	74.2	26%	0.262	42%	0.42	S	S	.	.	H	α-helix	trans	-66.6	-46.4	174.9	-71	169.8	8.9	0	0	111.4	D64 E70 R71 G72 E73 P75	D64-Q68 WeakPolarHBondContact O-CG 3.39Å; D64-Q68 PolarHBondContact O-N 3.37Å; Q68-E70 VanDerWaalsContact C-N 3.3Å; Q68-E70 PolarHBondContact O-N 3.29Å; Q68-R71 PolarHBondContact O-N 3.33Å; Q68-R71 VanDerWaalsContact O-N 3.14Å; Q68-G72 PolarHBondContact O-N 2.8Å; Q68-E73 HydrophobicContact CB-CB 4.48Å; Q68-E73 PolarHBondContact O-N 3.16Å; Q68-E73 VanDerWaalsContact O-N 3.13Å; Q68-P75 VanDerWaalsContact OE1-CA 3.28Å; Q68-P75 PolarHBondContact OE1-O 3.05Å
69	L	75.5	Confident	62.6	Low	4 Å²	4	78.6 Å²	78.6	2%	0.021	44%	0.444	C	S	.	.	H	α-helix	trans	-59.7	-40.2	176.7	-76.1	175	0	0	0	111	W31 Y42 R43 M46 I65 I66 R71 G72 P75	W31-L69 HydrophobicContact CH2-CD2 4.39Å; Y42-L69 HydrophobicContact CE1-CD1 4.32Å; R43-L69 HydrophobicContact CB-CD2 4.22Å; R43-L69 HydrophobicContact CG-CB 4.3Å; R43-L69 HydrophobicContact CG-CD2 4.06Å; R43-L69 PolarHBondContact NE-O 3.16Å; R43-L69 PolarHBondContact NH2-O 2.96Å; M46-L69 HydrophobicContact CB-CD1 3.8Å; M46-L69 HydrophobicContact CG-CD1 4.35Å; I65-L69 HydrophobicContact CG1-CD1 4.39Å; I65-L69 VanDerWaalsContact O-CB 3.28Å; I65-L69 WeakPolarHBondContact O-CB 3.41Å; I65-L69 WeakPolarHBondContact O-CG 3.41Å; I65-L69 PolarHBondContact O-N 2.87Å; I66-L69 PolarHBondContact O-N 3.08Å; L69-R71 PolarHBondContact O-N 2.73Å; L69-G72 PolarHBondContact O-N 3.35Å; L69-G72 VanDerWaalsContact O-N 3.14Å; L69-P75 HydrophobicContact CD2-CB 4.49Å; L69-P75 HydrophobicContact CD2-CG 3.95Å
70	E	76.8	Confident	61.7	Low	94 Å²	94	83.1 Å²	83.1	44%	0.439	44%	0.443	S	S	.	.	H	α-helix	trans	-63.1	-38.3	175.7	-80.2	-178	176.8	0	0	113.8	R43 M47 K62 I66 Q68 G72	R43-E70 PolarHBondContact NH2-O 3.13Å; R43-E70 VanDerWaalsContact NH2-O 3.15Å; M47-E70 HydrophobicContact CE-CG 3.52Å; M47-E70 WeakPolarHBondContact CE-OE1 2.96Å; M47-E70 HydrophobicContact SD-CG 4.03Å; K62-E70 WeakPolarHBondContact CE-OE1 3.26Å; K62-E70 WeakPolarHBondContact CE-OE2 3.46Å; K62-E70 IonicContact NZ-OE1 3.01Å; K62-E70 PolarHBondContact NZ-OE1 3.16Å; K62-E70 IonicContact NZ-OE2 3.98Å; K62-E70 PolarHBondContact NZ-OE2 3.12Å; I66-E70 WeakPolarHBondContact O-CG 3.43Å; I66-E70 PolarHBondContact O-N 3.21Å; Q68-E70 VanDerWaalsContact C-N 3.3Å; Q68-E70 PolarHBondContact O-N 3.29Å; E70-G72 PolarHBondContact O-N 3.22Å
71	R	68.3	Low	60.3	Low	163 Å²	163	90.3 Å²	90.3	62%	0.615	46%	0.458	S	S	*	.	H	α-helix	trans	-71.9	-6.1	176.3	-67.2	-168.8	-58.6	-129.5	-1.6	113.7	S67 Q68 L69 E73	S67-R71 PolarHBondContact O-N 2.98Å; Q68-R71 PolarHBondContact O-N 3.33Å; Q68-R71 VanDerWaalsContact O-N 3.14Å; L69-R71 PolarHBondContact O-N 2.73Å; R71-E73 HydrophobicContact CB-CG 4.05Å; R71-E73 IonicContact CZ-OE1 3.88Å; R71-E73 IonicContact CZ-OE2 3.19Å; R71-E73 IonicContact NE-OE1 3.37Å; R71-E73 PolarHBondContact NE-OE1 3.46Å; R71-E73 IonicContact NE-OE2 3.62Å; R71-E73 PolarHBondContact NE-OE2 2.94Å; R71-E73 IonicContact NH2-OE1 3.08Å; R71-E73 IonicContact NH2-OE2 3.02Å; R71-E73 PolarHBondContact NH2-OE2 3.16Å; R71-E73 PolarHBondContact O-N 3.39Å
72	G	63.2	Low	58.5	Low	53 Å²	53	88.7 Å²	88.7	55%	0.546	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.9	19.4	-177.4	0	0	0	0	0	112.4	Q68 L69 E70	Q68-G72 PolarHBondContact O-N 2.8Å; L69-G72 PolarHBondContact O-N 3.35Å; L69-G72 VanDerWaalsContact O-N 3.14Å; E70-G72 PolarHBondContact O-N 3.22Å
73	E	67.1	Low	56.3	Low	89 Å²	89	89.8 Å²	89.8	42%	0.416	48%	0.483	S	S	.	.			trans	-80.2	142.5	173.6	-67.4	166.8	-179.2	0	0	108.7	Q68 R71 P75	Q68-E73 HydrophobicContact CB-CB 4.48Å; Q68-E73 PolarHBondContact O-N 3.16Å; Q68-E73 VanDerWaalsContact O-N 3.13Å; R71-E73 HydrophobicContact CB-CG 4.05Å; R71-E73 IonicContact CZ-OE1 3.88Å; R71-E73 IonicContact CZ-OE2 3.19Å; R71-E73 IonicContact NE-OE1 3.37Å; R71-E73 PolarHBondContact NE-OE1 3.46Å; R71-E73 IonicContact NE-OE2 3.62Å; R71-E73 PolarHBondContact NE-OE2 2.94Å; R71-E73 IonicContact NH2-OE1 3.08Å; R71-E73 IonicContact NH2-OE2 3.02Å; R71-E73 PolarHBondContact NH2-OE2 3.16Å; R71-E73 PolarHBondContact O-N 3.39Å; E73-P75 WeakPolarHBondContact O-CD 3.19Å
74	D	59.5	Low	53.9	Low	78 Å²	78	98.3 Å²	98.3	42%	0.417	52%	0.517	S	S	.	.			trans	-62.5	125.1	168.2	-88.7	-16.4	0	0	0	108	W76	D74-W76 HydrophobicContact CB-CH2 3.3Å; D74-W76 HydrophobicContact CB-CZ2 3.5Å; D74-W76 VanDerWaalsContact CB-CZ2 3.5Å; D74-W76 HydrophobicContact CB-CZ3 4.13Å; D74-W76 VanDerWaalsContact CG-CZ2 3.48Å; D74-W76 PolarHBondContact O-N 2.99Å; D74-W76 WeakPolarHBondContact OD1-CH2 3.48Å
75	P	59.1	Low	51.7	Low	23 Å²	23	101.5 Å²	101.5	15%	0.149	53%	0.525	C	S	.	.	S	Bend	trans	-67.4	14.3	-169.7	19.6	-30.5	0	0	0	116.6	W31 I65 Q68 L69 E73	W31-P75 HydrophobicContact CE3-CG 4.22Å; W31-P75 HydrophobicContact CH2-CG 3.66Å; W31-P75 HydrophobicContact CZ2-CG 4.26Å; W31-P75 HydrophobicContact CZ3-CG 3.62Å; I65-P75 HydrophobicContact CD1-CB 4.17Å; I65-P75 HydrophobicContact CG1-CB 3.8Å; Q68-P75 VanDerWaalsContact OE1-CA 3.28Å; Q68-P75 PolarHBondContact OE1-O 3.05Å; L69-P75 HydrophobicContact CD2-CB 4.49Å; L69-P75 HydrophobicContact CD2-CG 3.95Å; E73-P75 WeakPolarHBondContact O-CD 3.19Å
76	W	59.3	Low	49.6	Very low	52 Å²	52	106 Å²	106	20%	0.197	56%	0.559	C	S	.	*			trans	-132.8	131.4	167.7	61.5	80	0	0	0	109.2	W31 D74	W31-W76 HydrophobicContact CB-CD2 4.46Å; W31-W76 HydrophobicContact CB-CE3 3.83Å; W31-W76 HydrophobicContact CB-CH2 4.08Å; W31-W76 HydrophobicContact CB-CZ2 4.37Å; W31-W76 HydrophobicContact CB-CZ3 3.65Å; W31-W76 AromaticContact CD1-CH2 2.77Å; W31-W76 AromaticContact CD1-CZ2 3.14Å; W31-W76 AromaticContact CD1-CZ3 3.2Å; W31-W76 AromaticContact CD2-CE3 3.99Å; W31-W76 HydrophobicContact CD2-CE3 3.99Å; W31-W76 AromaticContact CD2-CH2 3.4Å; W31-W76 HydrophobicContact CD2-CH2 3.4Å; W31-W76 VanDerWaalsContact CD2-CH2 3.4Å; W31-W76 HydrophobicContact CD2-CZ2 4.41Å; W31-W76 AromaticContact CD2-CZ3 3.01Å; W31-W76 HydrophobicContact CD2-CZ3 3.01Å; W31-W76 AromaticContact CE2-CH2 3.1Å; W31-W76 AromaticContact CE2-CZ3 3.18Å; W31-W76 HydrophobicContact CE3-CE3 4.36Å; W31-W76 HydrophobicContact CE3-CH2 4.34Å; W31-W76 AromaticContact CE3-CZ3 3.57Å; W31-W76 HydrophobicContact CE3-CZ3 3.57Å; W31-W76 HydrophobicContact CG-CD2 4.46Å; W31-W76 AromaticContact CG-CE3 3.7Å; W31-W76 HydrophobicContact CG-CE3 3.7Å; W31-W76 AromaticContact CG-CH2 3.18Å; W31-W76 HydrophobicContact CG-CH2 3.18Å; W31-W76 AromaticContact CG-CZ2 3.76Å; W31-W76 HydrophobicContact CG-CZ2 3.76Å; W31-W76 AromaticContact CG-CZ3 2.99Å; W31-W76 HydrophobicContact CG-CZ3 2.99Å; W31-W76 HydrophobicContact CH2-CZ3 4.26Å; W31-W76 AromaticContact CZ2-CH2 3.83Å; W31-W76 HydrophobicContact CZ2-CH2 3.83Å; W31-W76 AromaticContact CZ2-CZ3 3.82Å; W31-W76 HydrophobicContact CZ2-CZ3 3.82Å; W31-W76 HydrophobicContact CZ3-CZ3 4.12Å; W31-W76 AromaticContact NE1-CH2 2.76Å; W31-W76 AromaticContact NE1-CZ2 3.49Å; W31-W76 AromaticContact NE1-CZ3 3.35Å; W31-W76 VanDerWaalsContact NE1-CZ3 3.35Å; D74-W76 HydrophobicContact CB-CH2 3.3Å; D74-W76 HydrophobicContact CB-CZ2 3.5Å; D74-W76 VanDerWaalsContact CB-CZ2 3.5Å; D74-W76 HydrophobicContact CB-CZ3 4.13Å; D74-W76 VanDerWaalsContact CG-CZ2 3.48Å; D74-W76 PolarHBondContact O-N 2.99Å; D74-W76 WeakPolarHBondContact OD1-CH2 3.48Å
77	V	34.1	Very low	47	Very low	122 Å²	122	114.7 Å²	114.7	74%	0.739	60%	0.599	S	S	*	*			trans	-146.2	117.6	160.9	179.9	0	0	0	0	111.4
78	L	33.1	Very low	44.4	Very low	157 Å²	157	116.6 Å²	116.6	82%	0.822	62%	0.624	S	S	*	*			trans	53.4	120.2	157.2	-70.6	164.1	0	0	0	121.5
79	D	26.9	Very low	42.1	Very low	153 Å²	153	121.5 Å²	121.5	82%	0.818	65%	0.651	S	S	*	*			trans	-90.7	134	136.1	-158.9	2.8	0	0	0	109.9
80	R	29.8	Very low	39.5	Very low	231 Å²	231	132.2 Å²	132.2	87%	0.872	69%	0.691	S	S	*	*			trans	-93.3	99.2	-171	-171.1	-169.5	-139.8	-149.4	7.7	108.1
81	K	28.6	Very low	36.9	Very low	209 Å²	209	131.6 Å²	131.6	91%	0.909	70%	0.698	S	S	*	*			trans	-157.1	117.8	156.2	-105.6	165.7	-162.4	179	0	112.1
82	G	25.4	Very low	34.8	Very low	80 Å²	80	130.5 Å²	130.5	83%	0.825	70%	0.704	S	S	*	*			trans	106.4	74.5	153	0	0	0	0	0	116.4	K84	G82-K84 PolarHBondContact O-N 3.49Å
83	A	26.5	Very low	32.8	Very low	100 Å²	100	138.1 Å²	138.1	83%	0.826	72%	0.718	S	S	*	*			trans	-55.6	132.3	160.2	0	0	0	0	0	111.6
84	K	26.8	Very low	30.9	Very low	210 Å²	210	139.3 Å²	139.3	91%	0.913	74%	0.736	S	S	*	*			trans	-143.7	120.2	133.8	-77.2	-163.9	179.6	170.7	0	110	G82	G82-K84 PolarHBondContact O-N 3.49Å
85	K	26.1	Very low	29.2	Very low	195 Å²	195	142.2 Å²	142.2	85%	0.848	75%	0.751	S	S	*	*			trans	-54.8	139.3	167.5	-72.6	170.9	169.5	178	0	110.5
86	S	25.3	Very low	27.6	Very low	125 Å²	125	147.7 Å²	147.7	87%	0.874	78%	0.779	S	S	*	*			trans	-136.9	127.3	131	53.6	0	0	0	0	109.2
87	Q	24.6	Very low	26.1	Very low	183 Å²	183	153.2 Å²	153.2	86%	0.855	81%	0.812	S	S	*	*			trans	-102.1	146.8	-176.8	-139.2	176.6	-23.6	0	0	107.1
88	G	24.3	Very low	25.5	Very low	72 Å²	72	155.5 Å²	155.5	74%	0.742	81%	0.812	S	S	*	*			trans	116.4	132.7	167.2	0	0	0	0	0	112.5
89	L	23.9	Very low	25	Very low	158 Å²	158	153.8 Å²	153.8	83%	0.827	81%	0.811	S	S	*	*			cis	-167.1	134.1	8	-164.6	75	0	0	0	106.7
90	W	20.4	Very low	24.9	Very low	229 Å²	229	152.2 Å²	152.2	87%	0.867	80%	0.803	S	S	*	*			trans	23.8	149.3	144.9	-70.7	49.8	0	0	0	120.3
91	S	22.7	Very low	24.6	Very low	82 Å²	82	150.2 Å²	150.2	57%	0.573	80%	0.803	S	S	*	*			cis	-176.1	160.7	5.3	47.1	0	0	0	0	108.1
92	D	23.2	Very low	24.4	Very low	140 Å²	140	146.3 Å²	146.3	75%	0.749	80%	0.797	S	S	*	*			trans	55.8	110.8	145.2	-57.4	-14.6	0	0	0	121.3
93	Y	22.4	Very low	24.5	Very low	213 Å²	213	149 Å²	149	84%	0.835	80%	0.797	S	S	*	*				-158.3	113.1	109.6	-130.5	-98.1	0	0	0	109.6
94	S	26.1	Very low	24.4	Very low	113 Å²	113	148.5 Å²	148.5	79%	0.79	79%	0.794	S	S	*	*			trans	-80.6	129.8	160.3	-69.4	0	0	0	0	107.7
95	D	25.6	Very low	24.2	Very low	139 Å²	139	145 Å²	145	74%	0.743	80%	0.795	S	S	*	*			trans	-141.3	128.8	145.2	-101.1	-35.1	0	0	0	110.5
96	N	25.6	Very low	24	Very low	138 Å²	138	142.1 Å²	142.1	74%	0.738	79%	0.793	S	S	*	*			trans	-54	141.2	176.7	-75.6	-63.5	0	0	0	111.3
97	L	25.7	Very low	24.2	Very low	169 Å²	169	144.8 Å²	144.8	89%	0.885	79%	0.792	S	S	*	*				-152.6	98.4	127.6	-123.3	85.4	0	0	0	108.4
98	K	22.3	Very low	24.3	Very low	170 Å²	170	143.2 Å²	143.2	74%	0.739	79%	0.789	S	S	*	*			trans	-66.3	128.3	163.3	-102	177.9	170	-179.1	0	108.8
99	C	22.5	Very low	24.4	Very low	120 Å²	120	145.7 Å²	145.7	81%	0.811	80%	0.795	S	S	*	*			trans	-131.7	99.7	150.2	-73.8	0	0	0	0	107.6
100	D	24.2	Very low	24.6	Very low	120 Å²	120	146.2 Å²	146.2	64%	0.642	80%	0.798	S	S	*	*			trans	-72.7	122.5	169.4	-71.2	-48	0	0	0	109.3
101	H	24	Very low	24.9	Very low	189 Å²	189	140.4 Å²	140.4	88%	0.875	79%	0.792	S	S	*	*			trans	-144.5	94.8	149.5	-87.6	-60.7	0	0	0	110
102	T	24	Very low	25	Very low	127 Å²	127	140.8 Å²	140.8	78%	0.779	79%	0.794	S	S	*	*			trans	-73.6	119.3	152.3	44.8	0	0	0	0	109.5
103	T	28	Very low	25.1	Very low	136 Å²	136	140 Å²	140	83%	0.834	80%	0.796	S	S	*	*			trans	-171.2	115.3	131.7	15	0	0	0	0	112.2
104	A	25	Very low	25.1	Very low	91 Å²	91	139.6 Å²	139.6	75%	0.752	79%	0.793	S	S	*	*			trans	16.9	115.4	145	0	0	0	0	0	119.7
105	C	21.5	Very low	25.1	Very low	137 Å²	137	143.5 Å²	143.5	93%	0.926	80%	0.799	S	S	*	*			trans	-80.2	114.5	154.8	-107.6	0	0	0	0	109.2
106	T	23.6	Very low	25	Very low	133 Å²	133	141.9 Å²	141.9	82%	0.816	80%	0.797	S	S	*	*			trans	-110.3	149	152.9	47.2	0	0	0	0	109
107	Q	28.4	Very low	25.1	Very low	182 Å²	182	143.7 Å²	143.7	85%	0.85	80%	0.801	S	S	*	*			trans	-62.5	167	-158.9	-71.3	161.4	-54.3	0	0	116.6
108	D	26.7	Very low	25	Very low	149 Å²	149	141.9 Å²	141.9	80%	0.797	80%	0.798	S	S	*	*			trans	74.5	87.8	162.3	-63.5	-21.2	0	0	0	118.6
109	S	25.7	Very low	25.3	Very low	124 Å²	124	143.9 Å²	143.9	87%	0.867	81%	0.807	S	S	*	*			trans	-168.5	133.6	134	14.3	0	0	0	0	113.7
110	L	29.2	Very low	25.3	Very low	170 Å²	170	141.8 Å²	141.8	89%	0.89	81%	0.805	S	S	*	*			trans	-60.3	131	168.4	-69.4	139	0	0	0	112.1
111	S	27.3	Very low	25.4	Very low	106 Å²	106	144.1 Å²	144.1	74%	0.741	81%	0.812	S	S	*	*			trans	161.2	113.3	134.1	46.3	0	0	0	0	110.7
112	C	23.8	Very low	25.4	Very low	90 Å²	90	142.8 Å²	142.8	61%	0.608	81%	0.811	S	S	*	*				57.4	108.5	90.3	-96.1	0	0	0	0	115.6	W114	C112-W114 PolarHBondContact O-N 2.95Å
113	P	25.1	Very low	25.5	Very low	124 Å²	124	142.4 Å²	142.4	81%	0.805	80%	0.801	S	S	*	*			trans	-83.5	106.7	160	0.9	17.8	0	0	0	109.7
114	W	23.6	Very low	25.2	Very low	204 Å²	204	144 Å²	144	77%	0.773	80%	0.804	S	S	*	*			trans	-117.4	106.7	154.9	54.5	-87.4	0	0	0	107	C112	C112-W114 PolarHBondContact O-N 2.95Å
115	E	25.3	Very low	25.1	Very low	196 Å²	196	146 Å²	146	92%	0.916	81%	0.807	S	S	*	*			trans	-103.9	102.9	155.9	-77	-177.9	160.7	0	0	106
116	C	24.3	Very low	25.2	Very low	104 Å²	104	146.3 Å²	146.3	70%	0.703	80%	0.8	S	S	*	*			trans	-123.9	100.3	160.4	-95.7	0	0	0	0	106.5	T118	C116-T118 PolarHBondContact O-N 3.11Å; C116-T118 VanDerWaalsContact O-N 3.15Å
117	E	27	Very low	25.4	Very low	176 Å²	176	147.9 Å²	147.9	82%	0.822	80%	0.802	S	S	*	*			trans	-58.9	109.8	162.2	-64.5	179.6	129.4	0	0	109.3
118	T	24.6	Very low	25.1	Very low	132 Å²	132	144.3 Å²	144.3	81%	0.81	80%	0.797	S	S	*	*			trans	-119.3	91.7	158.7	54.3	0	0	0	0	107.7	C116	C116-T118 PolarHBondContact O-N 3.11Å; C116-T118 VanDerWaalsContact O-N 3.15Å
119	K	27.4	Very low	25.1	Very low	212 Å²	212	143 Å²	143	92%	0.922	80%	0.798	S	S	*	*			trans	-90.6	120.8	154.2	-80.8	-177.8	179.7	170.2	0	107.3
120	G	23.5	Very low	25	Very low	76 Å²	76	146.6 Å²	146.6	78%	0.784	80%	0.797	S	S	*	*			trans	-169.2	65.8	177.6	0	0	0	0	0	108.8
121	E	25	Very low	24.8	Very low	169 Å²	169	144.5 Å²	144.5	79%	0.79	79%	0.794	S	S	*	*			trans	-87.9	116.1	163.1	-79.3	-176.2	144.4	0	0	108.2	Q123	E121-Q123 PolarHBondContact O-N 3.31Å
122	N	24.5	Very low	24.7	Very low	160 Å²	160	146.9 Å²	146.9	86%	0.856	80%	0.797	S	S	*	*			trans	-58	122.6	163.4	-88.4	-16.4	0	0	0	110.1
123	Q	25.8	Very low	24.6	Very low	120 Å²	120	149.3 Å²	149.3	56%	0.561	80%	0.803	S	S	*	*			trans	-134.8	110.3	146.6	-72.2	-175.6	-8.5	0	0	107.3	E121 T125	E121-Q123 PolarHBondContact O-N 3.31Å; Q123-T125 PolarHBondContact O-N 3.3Å
124	N	21.9	Very low	24.5	Very low	168 Å²	168	149.2 Å²	149.2	90%	0.898	81%	0.805	S	S	*	*			trans	-68.5	116.4	162.1	-103.3	-5.7	0	0	0	107.4
125	T	22.9	Very low	24.5	Very low	134 Å²	134	147.6 Å²	147.6	82%	0.822	81%	0.806	S	S	*	*			trans	-148.7	118.1	143.9	45.6	0	0	0	0	107.4	Q123	Q123-T125 PolarHBondContact O-N 3.3Å
126	D	24.3	Very low	24.5	Very low	143 Å²	143	146.5 Å²	146.5	77%	0.765	80%	0.801	S	S	*	*			trans	-41.8	145.3	163.2	-170	10.4	0	0	0	112.2
127	L	26.4	Very low	24.5	Very low	166 Å²	166	147.7 Å²	147.7	87%	0.869	81%	0.805	S	S	*	*			trans	163.3	94.1	151.2	-87.1	166.5	0	0	0	108.5
128	S	23.7	Very low	24.3	Very low	107 Å²	107	144.9 Å²	144.9	75%	0.748	80%	0.8	S	S	*	*			trans	-81.6	145.3	165.3	-58.9	0	0	0	0	110.4
129	P	25.7	Very low	24.4	Very low	123 Å²	123	146.6 Å²	146.6	80%	0.799	80%	0.802	S	S	*	*			trans	-104.6	120.3	149	22.3	-7.4	0	0	0	110.3
130	K	24.2	Very low	24.3	Very low	199 Å²	199	143 Å²	143	87%	0.865	79%	0.793	S	S	*	*			trans	-61.5	158.4	163.9	-76.7	175.1	174.4	173.6	0	110.6
131	P	25.4	Very low	24.3	Very low	126 Å²	126	143.2 Å²	143.2	82%	0.818	80%	0.795	S	S	*	*				-131.4	167	123.4	30.7	-15.8	0	0	0	114.2
132	L	23.8	Very low	24.5	Very low	155 Å²	155	143.9 Å²	143.9	81%	0.812	80%	0.795	S	S	*	*			trans	-76.9	142.3	-163.8	-72.5	135.2	0	0	0	115.3
133	I	22.8	Very low	24.5	Very low	141 Å²	141	142.1 Å²	142.1	72%	0.723	79%	0.79	S	S	*	*			trans	30.5	125.5	131.1	-49.2	171.2	0	0	0	119.2
134	S	23	Very low	25.1	Very low	122 Å²	122	141.5 Å²	141.5	85%	0.853	80%	0.797	S	S	*	*				-155.1	135.5	125.7	41	0	0	0	0	111
135	E	23.2	Very low	25.2	Very low	170 Å²	170	141.3 Å²	141.3	79%	0.794	79%	0.794	S	S	*	*			trans	-78.3	147.2	178.3	-61.6	172.6	141.3	0	0	110.8
136	E	25.2	Very low	25.3	Very low	173 Å²	173	138.9 Å²	138.9	81%	0.808	80%	0.796	S	S	*	*				145.1	153.4	112.5	-82.3	-168.6	146.5	0	0	104.8
137	T	24.3	Very low	25.3	Very low	129 Å²	129	142 Å²	142	79%	0.791	80%	0.797	S	S	*	*			cis	-160.1	161.8	11.8	-7.1	0	0	0	0	108.7
138	V	23	Very low	25.4	Very low	117 Å²	117	141.6 Å²	141.6	71%	0.709	79%	0.794	S	S	*	*			trans	-74	145.5	178.1	169.2	0	0	0	0	112.9	L140	V138-L140 HydrophobicContact CG1-CD1 4.26Å
139	I	27.1	Very low	25.4	Very low	168 Å²	168	141.8 Å²	141.8	86%	0.862	79%	0.787	S	S	*	*			trans	-143.2	136	137.5	-70.4	-157.1	0	0	0	111.9
140	L	24.7	Very low	25.5	Very low	137 Å²	137	144.5 Å²	144.5	72%	0.717	79%	0.789	S	S	*	*			trans	-59.1	157.2	178.1	-88	81.1	0	0	0	116.4	V138	V138-L140 HydrophobicContact CG1-CD1 4.26Å
141	G	24.4	Very low	25.5	Very low	80 Å²	80	143.3 Å²	143.3	83%	0.825	79%	0.787	S	S	*	*			trans	-171.2	94.7	151	0	0	0	0	0	112.5
142	K	27.4	Very low	25.5	Very low	184 Å²	184	144.1 Å²	144.1	80%	0.8	78%	0.784	S	S	*	*			trans	-79.9	144.2	179.7	-72.7	174.4	175.8	176.5	0	112.3
143	T	24.7	Very low	25.6	Very low	122 Å²	122	142.4 Å²	142.4	75%	0.748	78%	0.776	S	S	*	*			trans	-6.8	162.4	140.5	35.5	0	0	0	0	118.6
144	P	38.4	Very low	25.7	Very low	108 Å²	108	143.2 Å²	143.2	70%	0.701	78%	0.776	S	S	*	*				-163.3	167.5	52.7	41.7	-17	0	0	0	123.1
145	L	25.3	Very low	25.8	Very low	163 Å²	163	143.6 Å²	143.6	85%	0.853	77%	0.774	S	S	*	*			trans	53.2	133.6	136.8	-85	91.9	0	0	0	123.8
146	G	24.6	Very low	26	Very low	83 Å²	83	145.2 Å²	145.2	86%	0.856	78%	0.778	S	S	*	*			trans	-162.3	108.9	139	0	0	0	0	0	110.7
147	R	25	Very low	26	Very low	208 Å²	208	147.3 Å²	147.3	79%	0.785	78%	0.779	S	S	*	*			trans	-126.2	133.7	-180	-179.5	-162	-145.2	-177.3	4.7	107.4
148	I	26.7	Very low	26	Very low	158 Å²	158	146.3 Å²	146.3	81%	0.81	78%	0.777	S	S	*	*			trans	-152.9	102.8	154.6	-53.8	-176.4	0	0	0	105.2
149	D	25.3	Very low	26	Very low	112 Å²	112	149.5 Å²	149.5	60%	0.599	78%	0.781	S	S	*	*				60.3	109.6	98.7	-55.4	-29.1	0	0	0	112.9
150	Q	26	Very low	25.9	Very low	179 Å²	179	151 Å²	151	84%	0.836	78%	0.782	S	S	*	*				91.3	145.6	68.3	-161.1	172.9	25.9	0	0	112.2
151	E	24.8	Very low	25.9	Very low	175 Å²	175	152.6 Å²	152.6	82%	0.818	79%	0.791	S	S	*	*			trans	90.4	147.8	175.4	-63.5	-164.3	150.8	0	0	118.6
152	N	25.6	Very low	25.8	Very low	142 Å²	142	154 Å²	154	76%	0.759	79%	0.788	S	S	*	*			cis	-161.4	152	-33.2	-134.9	-11.1	0	0	0	107
153	N	24.9	Very low	26.3	Very low	119 Å²	119	150.6 Å²	150.6	64%	0.636	79%	0.785	S	S	*	*			trans	62	133.6	147.7	-140.5	19.3	0	0	0	125.3
154	E	25.9	Very low	26.3	Very low	158 Å²	158	152.1 Å²	152.1	74%	0.738	79%	0.788	S	S	*	*			trans	13.3	135.4	150.2	-70.7	163.8	166.3	0	0	122
155	T	25.2	Very low	25.7	Very low	130 Å²	130	152.3 Å²	152.3	80%	0.798	79%	0.792	S	S	*	*				-174.8	123.9	111.4	-65.7	0	0	0	0	110.8	R157	T155-R157 PolarHBondContact O-N 3.33Å
156	K	27.6	Very low	25.9	Very low	205 Å²	205	151 Å²	151	89%	0.891	79%	0.79	S	S	*	*			trans	-63.3	122.7	162.6	-82.4	172.4	174.7	170.8	0	109.7
157	R	24.5	Very low	25.9	Very low	216 Å²	216	154.3 Å²	154.3	82%	0.815	79%	0.789	S	S	*	*			trans	-146.4	113.8	150.1	-111.1	177.1	-177	179	1	110.8	T155 F159	T155-R157 PolarHBondContact O-N 3.33Å; R157-F159 PolarHBondContact O-N 3.4Å
158	S	25	Very low	25.9	Very low	108 Å²	108	153.4 Å²	153.4	76%	0.755	79%	0.793	S	S	*	*			trans	-54.2	123.1	161.5	47.3	0	0	0	0	110.8
159	F	22.6	Very low	26	Very low	184 Å²	184	151.5 Å²	151.5	81%	0.807	79%	0.792	S	S	*	*			trans	-139	119.1	153.9	-96.1	-84.7	0	0	0	109	R157	R157-F159 PolarHBondContact O-N 3.4Å
160	F	24.6	Very low	25.9	Very low	200 Å²	200	154.3 Å²	154.3	88%	0.877	80%	0.802	S	S	*	*			trans	-50.4	139	157.3	-86.5	-105.5	0	0	0	109.2
161	L	25.2	Very low	26.1	Very low	171 Å²	171	152.5 Å²	152.5	90%	0.895	80%	0.803	S	S	*	*			trans	-178.7	113.6	141.5	-92.8	163.7	0	0	0	108.9
162	S	22.8	Very low	26.2	Very low	110 Å²	110	152.5 Å²	152.5	77%	0.769	80%	0.802	S	S	*	*			trans	-87.6	148.7	146.2	-83.4	0	0	0	0	106.5
163	P	37.7	Very low	26.2	Very low	112 Å²	112	149.2 Å²	149.2	73%	0.727	80%	0.802	S	S	*	*				-148.9	152.3	78.6	35.7	-15.4	0	0	0	117.4
164	N	25.2	Very low	26.3	Very low	154 Å²	154	152.2 Å²	152.2	82%	0.824	82%	0.818	S	S	*	*			trans	31.9	117.3	140	-64.3	-16.2	0	0	0	120.5
165	S	24.5	Very low	26.3	Very low	112 Å²	112	150.3 Å²	150.3	78%	0.783	82%	0.821	S	S	*	*				-149.4	116.3	127	53.3	0	0	0	0	108.9
166	V	29.1	Very low	26.5	Very low	134 Å²	134	153.4 Å²	153.4	81%	0.812	83%	0.827	S	S	*	*			trans	-109	110.4	171.7	-175.1	0	0	0	0	105.6	H168	V166-H168 PolarHBondContact O-N 2.82Å
167	D	26.3	Very low	26.6	Very low	154 Å²	154	149.3 Å²	149.3	82%	0.824	82%	0.824	S	S	*	*			trans	-65.8	123.9	175.2	-73.9	-43.4	0	0	0	110.3
168	H	25.2	Very low	27	Very low	189 Å²	189	145 Å²	145	88%	0.875	82%	0.821	S	S	*	*			trans	-64.2	127.7	167	-107.6	-64.3	0	0	0	109.2	V166	V166-H168 PolarHBondContact O-N 2.82Å
169	C	27	Very low	27.4	Very low	117 Å²	117	145.4 Å²	145.4	79%	0.791	82%	0.822	S	S	*	*			trans	-115.7	111.6	164.2	-153.9	0	0	0	0	107.7
170	E	23.9	Very low	28.1	Very low	172 Å²	172	141.4 Å²	141.4	80%	0.804	81%	0.808	S	S	*	*			trans	-64.4	134.9	174.7	-77.5	179.3	130.9	0	0	110.7
171	V	30.1	Very low	28.7	Very low	141 Å²	141	137.9 Å²	137.9	86%	0.855	80%	0.803	S	S	*	*			trans	-123.4	113.4	165.7	-173.1	0	0	0	0	107.2
172	Q	28	Very low	29.5	Very low	174 Å²	174	135 Å²	135	81%	0.813	80%	0.795	S	S	*	*			trans	-83.8	129.9	176.7	-68.1	178.8	-13.6	0	0	111.1
173	G	25.7	Very low	30.5	Very low	74 Å²	74	138.4 Å²	138.4	76%	0.763	80%	0.798	S	S	*	*			trans	61.3	135.1	153.4	0	0	0	0	0	118.3
174	L	25.8	Very low	30.8	Very low	182 Å²	182	142.1 Å²	142.1	95%	0.953	81%	0.806	S	S	*	*			cis	-149.5	126.9	28.4	-75.2	150.7	0	0	0	108.9
175	S	27.3	Very low	31.5	Very low	117 Å²	117	139.6 Å²	139.6	82%	0.818	81%	0.806	S	S	*	*			trans	-114.5	109.9	171.8	57.3	0	0	0	0	109.6
176	Q	28.2	Very low	32.7	Very low	196 Å²	196	140.1 Å²	140.1	92%	0.916	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-75.8	119.6	161.2	-72.3	179.5	-4.8	0	0	107.7
177	S	29.1	Very low	33.7	Very low	119 Å²	119	139.4 Å²	139.4	83%	0.832	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-85.8	127.5	177.7	45.4	0	0	0	0	110.6
178	V	33.4	Very low	34.7	Very low	124 Å²	124	137.8 Å²	137.8	75%	0.752	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-92.8	140.2	166.1	-178.1	0	0	0	0	108.3	L180	V178-L180 PolarHBondContact O-N 2.97Å
179	P	33.7	Very low	36.1	Very low	118 Å²	118	131.9 Å²	131.9	77%	0.766	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-69	132.1	-177.1	-12.8	27.5	0	0	0	111.7
180	L	36.9	Very low	37.8	Very low	99 Å²	99	134.6 Å²	134.6	52%	0.518	79%	0.794	S	S	.	*	P	Polyproline II helix	trans	-93.6	119.6	171.9	-67.2	167.3	0	0	0	109	V178	V178-L180 PolarHBondContact O-N 2.97Å
181	T	37.4	Very low	39.9	Very low	126 Å²	126	133.6 Å²	133.6	77%	0.773	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-98.8	128.3	173.1	46	0	0	0	0	111.2
182	P	41.6	Very low	42.1	Very low	111 Å²	111	130.9 Å²	130.9	72%	0.721	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-85.9	123	166.7	5	12.9	0	0	0	109.6
183	H	44.6	Very low	44.6	Very low	182 Å²	182	126.4 Å²	126.4	84%	0.843	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-95.5	125	168.6	-124.1	-77.8	0	0	0	109.7
184	Q	43.2	Very low	47.3	Very low	189 Å²	189	128.4 Å²	128.4	88%	0.883	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-83.4	122.2	176.3	-72.8	-177.5	-34.1	0	0	111.3
185	A	40.9	Very low	50.2	Low	101 Å²	101	119.7 Å²	119.7	84%	0.835	69%	0.69	S	S	*	*			trans	-175.8	117.6	134.9	0	0	0	0	0	107.7
186	V	48.3	Very low	52.7	Low	123 Å²	123	120.7 Å²	120.7	75%	0.745	69%	0.691	S	S	*	*			trans	-113.6	138.7	179.2	179.8	0	0	0	0	107.5
187	P	51.6	Low	55.2	Low	120 Å²	120	117.5 Å²	117.5	78%	0.779	68%	0.676	S	S	*	*				-133.1	136.5	107.1	11.7	10.5	0	0	0	114.2
188	S	47.4	Very low	57.8	Low	119 Å²	119	114.2 Å²	114.2	83%	0.832	65%	0.653	S	S	*	*	S	Bend	trans	71.2	80.1	147.6	-44	0	0	0	0	118.6
189	G	53.3	Low	60.1	Low	65 Å²	65	110.6 Å²	110.6	67%	0.67	64%	0.64	S	S	*	*	S	Bend	trans	143	61.7	165.8	0	0	0	0	0	112.6	R191	G189-R191 PolarHBondContact O-N 3.39Å
190	E	64.3	Low	62.5	Low	174 Å²	174	110.8 Å²	110.8	81%	0.813	63%	0.629	S	S	*	*			trans	-32.8	89.8	-168.8	-62	-178.1	167.9	0	0	116.3	G203	E190-G203 VanDerWaalsContact O-CA 3.27Å; E190-G203 WeakPolarHBondContact O-CA 3.3Å
191	R	66.8	Low	64.7	Low	152 Å²	152	108.1 Å²	108.1	57%	0.574	62%	0.618	S	S	*	*			trans	-136	69	167	-62.7	-178.3	84.5	151.4	0.4	111.5	G189 Y193 C201 F202	G189-R191 PolarHBondContact O-N 3.39Å; R191-Y193 PolarHBondContact O-N 3.43Å; R191-C201 HydrophobicContact CB-CB 3.72Å; R191-C201 PolarHBondContact NE-O 2.86Å; R191-C201 PolarHBondContact NH2-O 3.49Å; R191-F202 CarbonylContact C-O 3.58Å; R191-F202 VanDerWaalsContact CA-O 3.24Å; R191-F202 WeakPolarHBondContact CA-O 3.17Å
192	P	76.6	Confident	67	Low	84 Å²	84	103.4 Å²	103.4	55%	0.545	59%	0.587	S	S	.	*			trans	-69.7	-16.9	-169.9	-14.9	29.2	0	0	0	114.7	F202	P192-F202 WeakPolarHBondContact CD-O 3.28Å
193	Y	80.4	Confident	69.1	Low	79 Å²	79	99.8 Å²	99.8	31%	0.31	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108	108	-168.3	-58.2	-80.9	0	0	0	110.3	R191 C201 F202 S205	R191-Y193 PolarHBondContact O-N 3.43Å; Y193-C201 CarbonylContact O-C 3.3Å; Y193-C201 WeakPolarHBondContact O-CA 3.34Å; Y193-F202 PolarHBondContact N-O 3.3Å; Y193-F202 PolarHBondContact O-N 3.42Å; Y193-S205 VanDerWaalsContact CE2-N 3.34Å
194	M	82.2	Confident	71	Confident	116 Å²	116	98.9 Å²	98.9	57%	0.571	56%	0.559	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-99.9	135.9	-178.2	-172	-172.6	-65	0	0	111.9
195	C	86.9	Confident	72.9	Confident	0 Å²	0	91.7 Å²	91.7	0%	0	53%	0.529	C	S	.	.			trans	-80.2	119.9	168.3	179.9	0	0	0	0	109.8	E197 G199 K200 F202 L208 H215	C195-E197 VanDerWaalsContact C-N 3.34Å; C195-E197 PolarHBondContact O-N 2.85Å; C195-G199 WeakPolarHBondContact O-CA 3.43Å; C195-G199 PolarHBondContact O-N 3.17Å; C195-K200 PolarHBondContact N-O 3.11Å; C195-F202 HydrophobicContact CB-CE2 4.24Å; C195-L208 HydrophobicContact CB-CD1 3.52Å; C195-H215 PolarHBondContact SG-NE2 3.32Å
196	V	80.5	Confident	74.9	Confident	137 Å²	137	90 Å²	90	83%	0.83	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-33.5	-177.7	-175.6	0	0	0	0	112.1
197	E	79.5	Confident	76.7	Confident	130 Å²	130	88.1 Å²	88.1	61%	0.607	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-27.4	-175.6	-66.7	172.7	149.9	0	0	113.7	C195 H215	C195-E197 VanDerWaalsContact C-N 3.34Å; C195-E197 PolarHBondContact O-N 2.85Å; E197-H215 WeakPolarHBondContact OE2-CB 3.35Å; E197-H215 IonicContact OE2-CD2 3.94Å; E197-H215 PolarHBondContact OE2-CD2 3.02Å; E197-H215 IonicContact OE2-CG 2.94Å; E197-H215 IonicContact OE2-NE2 3.87Å
198	C	84.7	Confident	78.3	Confident	50 Å²	50	82.9 Å²	82.9	34%	0.338	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.9	10	-177.3	81.5	0	0	0	0	114.8	K200 H211	C198-K200 PolarHBondContact O-N 3.45Å; C198-K200 VanDerWaalsContact O-N 3.07Å; C198-H211 PolarHBondContact SG-NE2 2.87Å
199	G	82	Confident	79.9	Confident	47 Å²	47	80.8 Å²	80.8	49%	0.485	44%	0.439	S	S	.	.			trans	65.6	8.2	175.8	0	0	0	0	0	116.1	C195	C195-G199 WeakPolarHBondContact O-CA 3.43Å; C195-G199 PolarHBondContact O-N 3.17Å
200	K	83.1	Confident	81.3	Confident	123 Å²	123	80.9 Å²	80.9	54%	0.535	42%	0.422	S	S	.	.			trans	-77.8	128.2	-176.8	-74.7	178.4	-176.1	172.5	0	111	C195 C198 F202	C195-K200 PolarHBondContact N-O 3.11Å; C198-K200 PolarHBondContact O-N 3.45Å; C198-K200 VanDerWaalsContact O-N 3.07Å; K200-F202 HydrophobicContact CB-CE2 3.72Å; K200-F202 HydrophobicContact CB-CZ 3.87Å; K200-F202 WeakPolarHBondContact O-CD2 3.19Å; K200-F202 WeakPolarHBondContact O-CE2 3.42Å
201	C	84	Confident	82.3	Confident	42 Å²	42	73.5 Å²	73.5	28%	0.284	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	149.7	175.9	-56.1	0	0	0	0	111.7	R191 Y193	R191-C201 HydrophobicContact CB-CB 3.72Å; R191-C201 PolarHBondContact NE-O 2.86Å; R191-C201 PolarHBondContact NH2-O 3.49Å; Y193-C201 CarbonylContact O-C 3.3Å; Y193-C201 WeakPolarHBondContact O-CA 3.34Å
202	F	86	Confident	83	Confident	28 Å²	28	69.2 Å²	69.2	12%	0.123	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	142.4	-178.6	-61.7	-89	0	0	0	110.2	R191 P192 Y193 C195 K200 R204 H207 L208 H211	R191-F202 CarbonylContact C-O 3.58Å; R191-F202 VanDerWaalsContact CA-O 3.24Å; R191-F202 WeakPolarHBondContact CA-O 3.17Å; P192-F202 WeakPolarHBondContact CD-O 3.28Å; Y193-F202 PolarHBondContact N-O 3.3Å; Y193-F202 PolarHBondContact O-N 3.42Å; C195-F202 HydrophobicContact CB-CE2 4.24Å; K200-F202 HydrophobicContact CB-CE2 3.72Å; K200-F202 HydrophobicContact CB-CZ 3.87Å; K200-F202 WeakPolarHBondContact O-CD2 3.19Å; K200-F202 WeakPolarHBondContact O-CE2 3.42Å; F202-R204 PolarHBondContact O-N 3.02Å; F202-H207 HydrophobicContact CB-CB 4.28Å; F202-H207 HydrophobicContact CD1-CB 3.96Å; F202-H207 HydrophobicContact CG-CB 4.41Å; F202-L208 HydrophobicContact CB-CB 4.24Å; F202-L208 HydrophobicContact CD2-CB 3.88Å; F202-L208 HydrophobicContact CD2-CD1 3.7Å; F202-L208 HydrophobicContact CD2-CG 4.39Å; F202-L208 HydrophobicContact CE2-CD1 3.86Å; F202-L208 HydrophobicContact CG-CB 4.21Å; F202-H211 HydrophobicContact CE1-CB 3.87Å; F202-H211 HydrophobicContact CE2-CB 3.9Å; F202-H211 AromaticContact CE2-CD2 3.46Å; F202-H211 VanDerWaalsContact CE2-CD2 3.46Å; F202-H211 WeakPolarHBondContact CE2-CD2 3.37Å; F202-H211 AromaticContact CE2-CG 3.67Å; F202-H211 HydrophobicContact CZ-CB 3.41Å; F202-H211 VanDerWaalsContact CZ-CB 3.41Å; F202-H211 AromaticContact CZ-CD2 3.43Å; F202-H211 VanDerWaalsContact CZ-CD2 3.43Å; F202-H211 WeakPolarHBondContact CZ-CD2 3.4Å; F202-H211 AromaticContact CZ-CG 3.17Å; F202-H211 AromaticContact CZ-ND1 3.68Å
203	G	85.3	Confident	83.5	Confident	35 Å²	35	68 Å²	68	36%	0.361	36%	0.359	S	S	.	.	S	Bend	trans	-66.7	-20.9	175.3	0	0	0	0	0	114.3	E190	E190-G203 VanDerWaalsContact O-CA 3.27Å; E190-G203 WeakPolarHBondContact O-CA 3.3Å
204	R	84.6	Confident	83.5	Confident	162 Å²	162	69.9 Å²	69.9	61%	0.611	37%	0.373	S	S	*	.	S	Bend	trans	-138.4	142.1	-175.4	-61.6	-178.9	-176.9	173.9	-1.5	110.8	F202 S206 H207 L208	F202-R204 PolarHBondContact O-N 3.02Å; R204-S206 VanDerWaalsContact C-N 3.28Å; R204-S206 PolarHBondContact O-N 3.01Å; R204-H207 PolarHBondContact O-N 3.47Å; R204-L208 PolarHBondContact O-N 2.93Å
205	S	82.8	Confident	83.5	Confident	38 Å²	38	68 Å²	68	27%	0.266	36%	0.362	S	S	.	.	H	α-helix	trans	-59.8	-37.9	175.5	55.7	0	0	0	0	112	Y193 H207 L208 L209	Y193-S205 VanDerWaalsContact CE2-N 3.34Å; S205-H207 VanDerWaalsContact C-N 3.29Å; S205-H207 PolarHBondContact O-N 3.11Å; S205-L208 WeakPolarHBondContact O-CB 3.44Å; S205-L208 PolarHBondContact O-N 2.81Å; S205-L208 VanDerWaalsContact O-N 3.14Å; S205-L209 WeakPolarHBondContact O-CG 3.36Å; S205-L209 PolarHBondContact O-N 3.44Å
206	S	82.7	Confident	83.3	Confident	66 Å²	66	71.9 Å²	71.9	46%	0.462	39%	0.386	S	S	.	.	H	α-helix	trans	-61.1	-34.8	177	58.4	0	0	0	0	113.3	R204 Q210	R204-S206 VanDerWaalsContact C-N 3.28Å; R204-S206 PolarHBondContact O-N 3.01Å; S206-Q210 WeakPolarHBondContact O-CB 3.36Å; S206-Q210 PolarHBondContact O-N 3.26Å
207	H	85.1	Confident	83.3	Confident	84 Å²	84	67.5 Å²	67.5	39%	0.389	37%	0.369	S	S	.	.	H	α-helix	trans	-75.3	-34.7	175.2	-66.3	174.6	0	0	0	112	F202 R204 S205 H211	F202-H207 HydrophobicContact CB-CB 4.28Å; F202-H207 HydrophobicContact CD1-CB 3.96Å; F202-H207 HydrophobicContact CG-CB 4.41Å; R204-H207 PolarHBondContact O-N 3.47Å; S205-H207 VanDerWaalsContact C-N 3.29Å; S205-H207 PolarHBondContact O-N 3.11Å; H207-H211 VanDerWaalsContact O-CB 3.24Å; H207-H211 WeakPolarHBondContact O-CB 3.35Å; H207-H211 PolarHBondContact O-N 3.02Å
208	L	85.5	Confident	83.6	Confident	10 Å²	10	66.7 Å²	66.7	5%	0.052	37%	0.365	C	S	.	.	H	α-helix	trans	-64.6	-47.6	171.7	172.8	61.5	0	0	0	111.1	C195 F202 R204 S205 Q210 H211 Q212	C195-L208 HydrophobicContact CB-CD1 3.52Å; F202-L208 HydrophobicContact CB-CB 4.24Å; F202-L208 HydrophobicContact CD2-CB 3.88Å; F202-L208 HydrophobicContact CD2-CD1 3.7Å; F202-L208 HydrophobicContact CD2-CG 4.39Å; F202-L208 HydrophobicContact CE2-CD1 3.86Å; F202-L208 HydrophobicContact CG-CB 4.21Å; R204-L208 PolarHBondContact O-N 2.93Å; S205-L208 WeakPolarHBondContact O-CB 3.44Å; S205-L208 PolarHBondContact O-N 2.81Å; S205-L208 VanDerWaalsContact O-N 3.14Å; L208-Q210 VanDerWaalsContact C-N 3.32Å; L208-Q210 PolarHBondContact O-N 3.08Å; L208-H211 CarbonylContact O-C 3.53Å; L208-H211 WeakPolarHBondContact O-CA 3.31Å; L208-H211 WeakPolarHBondContact O-CB 3.46Å; L208-H211 PolarHBondContact O-N 3.01Å; L208-Q212 HydrophobicContact CD1-CG 4.24Å; L208-Q212 WeakPolarHBondContact O-CG 3.48Å; L208-Q212 PolarHBondContact O-N 3.06Å
209	L	81.2	Confident	83.7	Confident	75 Å²	75	70.2 Å²	70.2	39%	0.393	37%	0.374	S	S	.	.	H	α-helix	trans	-60	-42.1	176.4	-74.2	167.3	0	0	0	111.5	S205 H211 Q212	S205-L209 WeakPolarHBondContact O-CG 3.36Å; S205-L209 PolarHBondContact O-N 3.44Å; L209-H211 VanDerWaalsContact C-N 3.31Å; L209-H211 PolarHBondContact O-N 3.4Å; L209-Q212 PolarHBondContact O-N 3.38Å
210	Q	83.6	Confident	84	Confident	66 Å²	66	71.4 Å²	71.4	31%	0.308	37%	0.374	S	S	.	.	H	α-helix	trans	-63.5	-37.6	173.3	179.8	-179.1	71.9	0	0	112.1	S206 L208 R213 Q232	S206-Q210 WeakPolarHBondContact O-CB 3.36Å; S206-Q210 PolarHBondContact O-N 3.26Å; L208-Q210 VanDerWaalsContact C-N 3.32Å; L208-Q210 PolarHBondContact O-N 3.08Å; Q210-R213 WeakPolarHBondContact O-CB 3.38Å; Q210-Q232 VanDerWaalsContact CD-CD 3.42Å; Q210-Q232 HydrophobicContact CG-CG 4.08Å; Q210-Q232 VanDerWaalsContact NE2-CG 3.3Å
211	H	84.4	Confident	84.2	Confident	19 Å²	19	69.4 Å²	69.4	9%	0.088	36%	0.363	C	S	.	.	H	α-helix	trans	-69.5	-39.4	177.9	171.7	68.4	0	0	0	112.5	C198 F202 H207 L208 L209 R213 I214 H215	C198-H211 PolarHBondContact SG-NE2 2.87Å; F202-H211 HydrophobicContact CE1-CB 3.87Å; F202-H211 HydrophobicContact CE2-CB 3.9Å; F202-H211 AromaticContact CE2-CD2 3.46Å; F202-H211 VanDerWaalsContact CE2-CD2 3.46Å; F202-H211 WeakPolarHBondContact CE2-CD2 3.37Å; F202-H211 AromaticContact CE2-CG 3.67Å; F202-H211 HydrophobicContact CZ-CB 3.41Å; F202-H211 VanDerWaalsContact CZ-CB 3.41Å; F202-H211 AromaticContact CZ-CD2 3.43Å; F202-H211 VanDerWaalsContact CZ-CD2 3.43Å; F202-H211 WeakPolarHBondContact CZ-CD2 3.4Å; F202-H211 AromaticContact CZ-CG 3.17Å; F202-H211 AromaticContact CZ-ND1 3.68Å; H207-H211 VanDerWaalsContact O-CB 3.24Å; H207-H211 WeakPolarHBondContact O-CB 3.35Å; H207-H211 PolarHBondContact O-N 3.02Å; L208-H211 CarbonylContact O-C 3.53Å; L208-H211 WeakPolarHBondContact O-CA 3.31Å; L208-H211 WeakPolarHBondContact O-CB 3.46Å; L208-H211 PolarHBondContact O-N 3.01Å; L209-H211 VanDerWaalsContact C-N 3.31Å; L209-H211 PolarHBondContact O-N 3.4Å; H211-R213 PolarHBondContact O-N 2.92Å; H211-I214 VanDerWaalsContact O-CB 3.25Å; H211-I214 WeakPolarHBondContact O-CB 3.33Å; H211-I214 WeakPolarHBondContact O-CG1 3.43Å; H211-I214 PolarHBondContact O-N 3.04Å; H211-H215 AromaticContact CE1-NE2 3.92Å; H211-H215 AromaticContact NE2-NE2 3.36Å; H211-H215 PolarHBondContact NE2-NE2 3.42Å
212	Q	82	Confident	84.3	Confident	62 Å²	62	70.8 Å²	70.8	29%	0.29	37%	0.37	S	S	.	.	H	α-helix	trans	-58.5	-28.2	177	-77	173.4	-35.3	0	0	112.7	L208 L209 I214 H215 T216	L208-Q212 HydrophobicContact CD1-CG 4.24Å; L208-Q212 WeakPolarHBondContact O-CG 3.48Å; L208-Q212 PolarHBondContact O-N 3.06Å; L209-Q212 PolarHBondContact O-N 3.38Å; Q212-I214 PolarHBondContact O-N 2.79Å; Q212-I214 VanDerWaalsContact O-N 3.07Å; Q212-H215 PolarHBondContact O-N 3.45Å; Q212-T216 PolarHBondContact O-N 2.93Å; Q212-T216 PolarHBondContact O-OG1 3.4Å
213	R	86.6	Confident	84.6	Confident	60 Å²	60	69.6 Å²	69.6	23%	0.226	37%	0.366	C	S	.	.	H	α-helix	trans	-60	-17.9	172.8	-61.6	179.2	-172.5	169.8	1	114.2	Q210 H211 T216 G217 E218 S231	Q210-R213 WeakPolarHBondContact O-CB 3.38Å; H211-R213 PolarHBondContact O-N 2.92Å; R213-T216 WeakPolarHBondContact CA-OG1 3.22Å; R213-G217 WeakPolarHBondContact O-CA 3.49Å; R213-G217 PolarHBondContact O-N 3.21Å; R213-E218 HydrophobicContact CB-CB 4.45Å; R213-E218 HydrophobicContact CG-CB 4.24Å; R213-E218 PolarHBondContact O-N 3.4Å; R213-S231 PolarHBondContact NH1-O 3.35Å
214	I	80.4	Confident	84.7	Confident	118 Å²	118	75.6 Å²	75.6	61%	0.605	39%	0.39	S	S	*	.	H	α-helix	trans	-71.3	-37.3	174	-60.2	176.3	0	0	0	110.3	H211 Q212	H211-I214 VanDerWaalsContact O-CB 3.25Å; H211-I214 WeakPolarHBondContact O-CB 3.33Å; H211-I214 WeakPolarHBondContact O-CG1 3.43Å; H211-I214 PolarHBondContact O-N 3.04Å; Q212-I214 PolarHBondContact O-N 2.79Å; Q212-I214 VanDerWaalsContact O-N 3.07Å
215	H	82.2	Confident	84.8	Confident	76 Å²	76	73.1 Å²	73.1	35%	0.352	39%	0.392	S	S	.	.	H	α-helix	trans	-83.6	-42.9	-178.6	-55.3	-53.7	0	0	0	111.5	C195 E197 H211 Q212 G217	C195-H215 PolarHBondContact SG-NE2 3.32Å; E197-H215 WeakPolarHBondContact OE2-CB 3.35Å; E197-H215 IonicContact OE2-CD2 3.94Å; E197-H215 PolarHBondContact OE2-CD2 3.02Å; E197-H215 IonicContact OE2-CG 2.94Å; E197-H215 IonicContact OE2-NE2 3.87Å; H211-H215 AromaticContact CE1-NE2 3.92Å; H211-H215 AromaticContact NE2-NE2 3.36Å; H211-H215 PolarHBondContact NE2-NE2 3.42Å; Q212-H215 PolarHBondContact O-N 3.45Å; H215-G217 VanDerWaalsContact C-N 3.27Å; H215-G217 PolarHBondContact O-N 3.27Å
216	T	82.6	Confident	84.9	Confident	81 Å²	81	73.8 Å²	73.8	50%	0.497	40%	0.396	S	S	.	.	H	α-helix	trans	-75.8	-16.3	177.6	65.4	0	0	0	0	113.1	Q212 R213 E218	Q212-T216 PolarHBondContact O-N 2.93Å; Q212-T216 PolarHBondContact O-OG1 3.4Å; R213-T216 WeakPolarHBondContact CA-OG1 3.22Å; T216-E218 PolarHBondContact O-N 2.94Å; T216-E218 WeakPolarHBondContact OG1-CG 3.46Å
217	G	81.6	Confident	85	Confident	46 Å²	46	73.3 Å²	73.3	47%	0.474	40%	0.401	S	S	.	.			trans	71.2	6	-177.2	0	0	0	0	0	114.5	R213 H215 K219	R213-G217 WeakPolarHBondContact O-CA 3.49Å; R213-G217 PolarHBondContact O-N 3.21Å; H215-G217 VanDerWaalsContact C-N 3.27Å; H215-G217 PolarHBondContact O-N 3.27Å; G217-K219 PolarHBondContact O-N 3.49Å
218	E	84.7	Confident	85	Confident	113 Å²	113	75.3 Å²	75.3	53%	0.528	41%	0.409	S	S	.	.			trans	-59.6	127.7	-179.4	-76.1	-178.5	-179.7	0	0	112.2	R213 T216	R213-E218 HydrophobicContact CB-CB 4.45Å; R213-E218 HydrophobicContact CG-CB 4.24Å; R213-E218 PolarHBondContact O-N 3.4Å; T216-E218 PolarHBondContact O-N 2.94Å; T216-E218 WeakPolarHBondContact OG1-CG 3.46Å
219	K	87.6	Confident	85.2	Confident	123 Å²	123	76.5 Å²	76.5	54%	0.535	42%	0.42	S	S	.	.			trans	-128.5	75.7	179.7	-71.6	168.6	179.7	178.9	0	110.8	G217 Y221 A229 F230	G217-K219 PolarHBondContact O-N 3.49Å; K219-Y221 PolarHBondContact O-N 3.02Å; K219-Y221 VanDerWaalsContact O-N 3.13Å; K219-A229 HydrophobicContact CB-CB 3.5Å; K219-A229 HydrophobicContact CD-CB 4.2Å; K219-A229 WeakPolarHBondContact CD-O 3.33Å; K219-A229 HydrophobicContact CG-CB 4.46Å; K219-F230 CarbonylContact C-O 3.21Å; K219-F230 VanDerWaalsContact C-O 3.24Å; K219-F230 WeakPolarHBondContact CA-O 3.33Å
220	P	87.4	Confident	85.6	Confident	73 Å²	73	74.7 Å²	74.7	47%	0.474	41%	0.409	S	S	.	.			trans	-65.8	-18.7	-171.3	-22.7	35.2	0	0	0	114.6
221	Y	89.1	Confident	85.7	Confident	80 Å²	80	73.3 Å²	73.3	31%	0.314	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	100.6	-172.2	-55.7	-77.3	0	0	0	110.7	K219 A229 F230 S233	K219-Y221 PolarHBondContact O-N 3.02Å; K219-Y221 VanDerWaalsContact O-N 3.13Å; Y221-A229 CarbonylContact O-C 3.57Å; Y221-A229 WeakPolarHBondContact O-CA 3.49Å; Y221-F230 WeakPolarHBondContact CD2-O 3.39Å; Y221-F230 PolarHBondContact N-O 3.42Å; Y221-F230 VanDerWaalsContact N-O 3.07Å; Y221-F230 PolarHBondContact O-N 2.84Å; Y221-S233 VanDerWaalsContact CD2-N 3.27Å; Y221-S233 VanDerWaalsContact CE2-N 3.35Å
222	V	85.7	Confident	85.9	Confident	71 Å²	71	75.1 Å²	75.1	43%	0.43	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	138	-177.4	-173.5	0	0	0	0	111.3	A229	V222-A229 HydrophobicContact CG2-CB 3.97Å
223	C	91.2	Very high	86.1	Confident	4 Å²	4	75 Å²	75	3%	0.027	42%	0.422	C	S	.	.			trans	-83.2	115.2	171	-175.9	0	0	0	0	110.3	V225 C226 G227 K228 F230 L236 H243	C223-V225 PolarHBondContact O-N 2.95Å; C223-V225 VanDerWaalsContact O-N 3.13Å; C223-C226 PolarHBondContact O-N 3.42Å; C223-C226 VanDerWaalsContact SG-SG 3.68Å; C223-G227 VanDerWaalsContact O-CA 3.25Å; C223-G227 WeakPolarHBondContact O-CA 3.49Å; C223-G227 PolarHBondContact O-N 2.79Å; C223-K228 WeakPolarHBondContact CB-O 3.36Å; C223-K228 PolarHBondContact N-O 3.17Å; C223-F230 HydrophobicContact CB-CE2 4.34Å; C223-L236 HydrophobicContact CB-CD1 3.56Å; C223-H243 PolarHBondContact SG-NE2 2.93Å; C223-H243 VanDerWaalsContact SG-NE2 3.41Å
224	N	87.6	Confident	86.1	Confident	161 Å²	161	74.7 Å²	74.7	86%	0.861	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-15.1	-178.4	-59.5	-16.3	0	0	0	114.1
225	V	86.3	Confident	86.4	Confident	109 Å²	109	72 Å²	72	66%	0.661	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-37.6	-179.4	-178.6	0	0	0	0	112.4	C223 H243	C223-V225 PolarHBondContact O-N 2.95Å; C223-V225 VanDerWaalsContact O-N 3.13Å; V225-H243 HydrophobicContact CG1-CB 4.26Å
226	C	85.5	Confident	86.7	Confident	53 Å²	53	69.5 Å²	69.5	36%	0.358	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.2	5.4	-173.7	70.5	0	0	0	0	114.2	C223 K228 H239 H243	C223-C226 PolarHBondContact O-N 3.42Å; C223-C226 VanDerWaalsContact SG-SG 3.68Å; C226-K228 PolarHBondContact O-N 3.28Å; C226-K228 VanDerWaalsContact O-N 3.07Å; C226-H239 PolarHBondContact SG-NE2 3.16Å; C226-H243 PolarHBondContact SG-NE2 3.21Å; C226-H243 VanDerWaalsContact SG-NE2 3.44Å
227	G	84.1	Confident	86.8	Confident	55 Å²	55	68.8 Å²	68.8	57%	0.567	41%	0.405	S	S	*	.			trans	67.8	1.5	-179.6	0	0	0	0	0	115.2	C223 A229	C223-G227 VanDerWaalsContact O-CA 3.25Å; C223-G227 WeakPolarHBondContact O-CA 3.49Å; C223-G227 PolarHBondContact O-N 2.79Å; G227-A229 PolarHBondContact O-N 2.99Å
228	K	86.5	Confident	87.1	Confident	127 Å²	127	71.6 Å²	71.6	55%	0.552	40%	0.404	S	S	*	.			trans	-71.8	128.6	-177.6	-70.8	-176.4	-179.3	-178.9	0	111.2	C223 C226 F230	C223-K228 WeakPolarHBondContact CB-O 3.36Å; C223-K228 PolarHBondContact N-O 3.17Å; C226-K228 PolarHBondContact O-N 3.28Å; C226-K228 VanDerWaalsContact O-N 3.07Å; K228-F230 HydrophobicContact CB-CE2 3.95Å; K228-F230 HydrophobicContact CB-CZ 3.96Å; K228-F230 VanDerWaalsContact O-CE2 3.28Å; K228-F230 WeakPolarHBondContact O-CE2 3.21Å
229	A	89.5	Confident	87.2	Confident	35 Å²	35	67.2 Å²	67.2	29%	0.289	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	144	179.4	0	0	0	0	0	112.2	K219 Y221 V222 G227	K219-A229 HydrophobicContact CB-CB 3.5Å; K219-A229 HydrophobicContact CD-CB 4.2Å; K219-A229 WeakPolarHBondContact CD-O 3.33Å; K219-A229 HydrophobicContact CG-CB 4.46Å; Y221-A229 CarbonylContact O-C 3.57Å; Y221-A229 WeakPolarHBondContact O-CA 3.49Å; V222-A229 HydrophobicContact CG2-CB 3.97Å; G227-A229 PolarHBondContact O-N 2.99Å
230	F	88.5	Confident	87.1	Confident	37 Å²	37	68.1 Å²	68.1	16%	0.162	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	148.8	-178.1	-57.1	-86.4	0	0	0	111	K219 Y221 C223 K228 Q232 V235 L236 H239	K219-F230 CarbonylContact C-O 3.21Å; K219-F230 VanDerWaalsContact C-O 3.24Å; K219-F230 WeakPolarHBondContact CA-O 3.33Å; Y221-F230 WeakPolarHBondContact CD2-O 3.39Å; Y221-F230 PolarHBondContact N-O 3.42Å; Y221-F230 VanDerWaalsContact N-O 3.07Å; Y221-F230 PolarHBondContact O-N 2.84Å; C223-F230 HydrophobicContact CB-CE2 4.34Å; K228-F230 HydrophobicContact CB-CE2 3.95Å; K228-F230 HydrophobicContact CB-CZ 3.96Å; K228-F230 VanDerWaalsContact O-CE2 3.28Å; K228-F230 WeakPolarHBondContact O-CE2 3.21Å; F230-Q232 VanDerWaalsContact C-N 3.28Å; F230-Q232 PolarHBondContact O-N 3.39Å; F230-V235 HydrophobicContact CD1-CB 4.36Å; F230-V235 HydrophobicContact CD1-CG1 3.55Å; F230-V235 HydrophobicContact CE1-CG1 4.12Å; F230-V235 HydrophobicContact CG-CG1 4.27Å; F230-L236 HydrophobicContact CB-CB 4.34Å; F230-L236 HydrophobicContact CD2-CB 3.78Å; F230-L236 HydrophobicContact CD2-CD1 3.62Å; F230-L236 HydrophobicContact CD2-CG 4.27Å; F230-L236 HydrophobicContact CE2-CB 4.5Å; F230-L236 HydrophobicContact CE2-CD1 3.69Å; F230-L236 HydrophobicContact CG-CB 4.25Å; F230-H239 HydrophobicContact CE1-CB 4.15Å; F230-H239 HydrophobicContact CE2-CB 3.94Å; F230-H239 AromaticContact CE2-CD2 3.58Å; F230-H239 AromaticContact CE2-CG 3.66Å; F230-H239 HydrophobicContact CZ-CB 3.58Å; F230-H239 AromaticContact CZ-CD2 3.59Å; F230-H239 AromaticContact CZ-CG 3.24Å; F230-H239 AromaticContact CZ-ND1 3.54Å
231	S	86.9	Confident	87.2	Confident	36 Å²	36	67.2 Å²	67.2	25%	0.252	37%	0.371	S	S	.	.	S	Bend	trans	-77.2	-14.5	177.7	54.6	0	0	0	0	113.4	R213	R213-S231 PolarHBondContact NH1-O 3.35Å
232	Q	88.3	Confident	87	Confident	58 Å²	58	67.8 Å²	67.8	27%	0.271	38%	0.378	S	S	.	.	S	Bend	trans	-137.4	140.3	-178.6	-50.5	-174.6	11.9	0	0	111.6	Q210 F230 S234 V235 L236	Q210-Q232 VanDerWaalsContact CD-CD 3.42Å; Q210-Q232 HydrophobicContact CG-CG 4.08Å; Q210-Q232 VanDerWaalsContact NE2-CG 3.3Å; F230-Q232 VanDerWaalsContact C-N 3.28Å; F230-Q232 PolarHBondContact O-N 3.39Å; Q232-S234 PolarHBondContact O-N 3.2Å; Q232-V235 HydrophobicContact CB-CB 4.49Å; Q232-V235 HydrophobicContact CB-CG2 4.04Å; Q232-V235 PolarHBondContact O-N 2.9Å; Q232-L236 PolarHBondContact O-N 2.97Å
233	S	86.8	Confident	87	Confident	60 Å²	60	68 Å²	68	42%	0.42	37%	0.374	S	S	.	.	H	α-helix	trans	-63.7	-39.1	177.7	56.4	0	0	0	0	112.4	Y221 V235 L236 S237	Y221-S233 VanDerWaalsContact CD2-N 3.27Å; Y221-S233 VanDerWaalsContact CE2-N 3.35Å; S233-V235 PolarHBondContact O-N 2.73Å; S233-L236 WeakPolarHBondContact O-CB 3.47Å; S233-L236 PolarHBondContact O-N 3.26Å; S233-L236 VanDerWaalsContact O-N 3.13Å; S233-S237 PolarHBondContact O-N 2.91Å; S233-S237 PolarHBondContact O-OG 3.02Å
234	S	86.4	Confident	86.7	Confident	53 Å²	53	71.1 Å²	71.1	37%	0.371	39%	0.393	S	S	.	.	H	α-helix	trans	-59.5	-35.2	178.3	63.5	0	0	0	0	112.7	Q232 K238	Q232-S234 PolarHBondContact O-N 3.2Å; S234-K238 WeakPolarHBondContact O-CG 3.27Å; S234-K238 PolarHBondContact O-N 3.5Å; S234-K238 VanDerWaalsContact O-N 3.11Å
235	V	85.9	Confident	86.5	Confident	60 Å²	60	65.3 Å²	65.3	36%	0.364	37%	0.372	S	S	.	.	H	α-helix	trans	-73.6	-41.1	176.6	-178.3	0	0	0	0	110.4	F230 Q232 S233 K238 H239	F230-V235 HydrophobicContact CD1-CB 4.36Å; F230-V235 HydrophobicContact CD1-CG1 3.55Å; F230-V235 HydrophobicContact CE1-CG1 4.12Å; F230-V235 HydrophobicContact CG-CG1 4.27Å; Q232-V235 HydrophobicContact CB-CB 4.49Å; Q232-V235 HydrophobicContact CB-CG2 4.04Å; Q232-V235 PolarHBondContact O-N 2.9Å; S233-V235 PolarHBondContact O-N 2.73Å; V235-K238 PolarHBondContact O-N 3.48Å; V235-H239 WeakPolarHBondContact O-CB 3.32Å; V235-H239 PolarHBondContact O-N 3.36Å
236	L	88.4	Confident	86.4	Confident	24 Å²	24	65.3 Å²	65.3	13%	0.126	36%	0.364	C	S	.	.	H	α-helix	trans	-60.4	-44.4	171.9	173.9	62.2	0	0	0	111.4	C223 F230 Q232 S233 K238 H239 R240	C223-L236 HydrophobicContact CB-CD1 3.56Å; F230-L236 HydrophobicContact CB-CB 4.34Å; F230-L236 HydrophobicContact CD2-CB 3.78Å; F230-L236 HydrophobicContact CD2-CD1 3.62Å; F230-L236 HydrophobicContact CD2-CG 4.27Å; F230-L236 HydrophobicContact CE2-CB 4.5Å; F230-L236 HydrophobicContact CE2-CD1 3.69Å; F230-L236 HydrophobicContact CG-CB 4.25Å; Q232-L236 PolarHBondContact O-N 2.97Å; S233-L236 WeakPolarHBondContact O-CB 3.47Å; S233-L236 PolarHBondContact O-N 3.26Å; S233-L236 VanDerWaalsContact O-N 3.13Å; L236-K238 PolarHBondContact O-N 3.26Å; L236-H239 CarbonylContact O-C 3.51Å; L236-H239 WeakPolarHBondContact O-CA 3.45Å; L236-H239 WeakPolarHBondContact O-CB 3.35Å; L236-H239 PolarHBondContact O-N 3.23Å; L236-R240 HydrophobicContact CD1-CG 4.36Å; L236-R240 WeakPolarHBondContact O-CG 3.5Å; L236-R240 PolarHBondContact O-N 3.27Å
237	S	85.9	Confident	86.6	Confident	66 Å²	66	67.8 Å²	67.8	46%	0.462	37%	0.369	S	S	.	.	H	α-helix	trans	-61	-42.4	178	-63.2	0	0	0	0	112.2	S233 H239 R240	S233-S237 PolarHBondContact O-N 2.91Å; S233-S237 PolarHBondContact O-OG 3.02Å; S237-H239 VanDerWaalsContact C-N 3.34Å; S237-R240 PolarHBondContact O-N 3.06Å
238	K	86.9	Confident	86.8	Confident	105 Å²	105	68.7 Å²	68.7	46%	0.457	37%	0.365	S	S	.	.	H	α-helix	trans	-64.3	-39.3	171.8	-70.1	173	-174.4	179.1	0	111.7	S234 V235 L236 R241	S234-K238 WeakPolarHBondContact O-CG 3.27Å; S234-K238 PolarHBondContact O-N 3.5Å; S234-K238 VanDerWaalsContact O-N 3.11Å; V235-K238 PolarHBondContact O-N 3.48Å; L236-K238 PolarHBondContact O-N 3.26Å; K238-R241 WeakPolarHBondContact O-CB 3.33Å; K238-R241 PolarHBondContact O-N 3.1Å
239	H	87.4	Confident	87	Confident	22 Å²	22	66.4 Å²	66.4	10%	0.102	35%	0.353	C	S	.	.	H	α-helix	trans	-63.8	-38.2	177.5	173.3	75.8	0	0	0	112.8	C226 F230 V235 L236 S237 R241 I242 H243	C226-H239 PolarHBondContact SG-NE2 3.16Å; F230-H239 HydrophobicContact CE1-CB 4.15Å; F230-H239 HydrophobicContact CE2-CB 3.94Å; F230-H239 AromaticContact CE2-CD2 3.58Å; F230-H239 AromaticContact CE2-CG 3.66Å; F230-H239 HydrophobicContact CZ-CB 3.58Å; F230-H239 AromaticContact CZ-CD2 3.59Å; F230-H239 AromaticContact CZ-CG 3.24Å; F230-H239 AromaticContact CZ-ND1 3.54Å; V235-H239 WeakPolarHBondContact O-CB 3.32Å; V235-H239 PolarHBondContact O-N 3.36Å; L236-H239 CarbonylContact O-C 3.51Å; L236-H239 WeakPolarHBondContact O-CA 3.45Å; L236-H239 WeakPolarHBondContact O-CB 3.35Å; L236-H239 PolarHBondContact O-N 3.23Å; S237-H239 VanDerWaalsContact C-N 3.34Å; H239-R241 PolarHBondContact O-N 2.77Å; H239-R241 VanDerWaalsContact O-N 3.11Å; H239-I242 VanDerWaalsContact O-CB 3.28Å; H239-I242 WeakPolarHBondContact O-CB 3.48Å; H239-I242 WeakPolarHBondContact O-CG1 3.43Å; H239-I242 PolarHBondContact O-N 3.31Å; H239-H243 AromaticContact CD2-NE2 3.98Å; H239-H243 AromaticContact NE2-NE2 3.25Å; H239-H243 PolarHBondContact NE2-NE2 2.82Å
240	R	85.9	Confident	86.9	Confident	141 Å²	141	70.1 Å²	70.1	53%	0.532	36%	0.364	S	S	.	.	H	α-helix	trans	-56.4	-29	178.6	-74.1	179.8	70.8	-114.3	-0.3	113.1	L236 S237 I242 H243 T244	L236-R240 HydrophobicContact CD1-CG 4.36Å; L236-R240 WeakPolarHBondContact O-CG 3.5Å; L236-R240 PolarHBondContact O-N 3.27Å; S237-R240 PolarHBondContact O-N 3.06Å; R240-I242 PolarHBondContact O-N 3.43Å; R240-I242 VanDerWaalsContact O-N 3.12Å; R240-H243 PolarHBondContact O-N 2.93Å; R240-T244 PolarHBondContact O-N 3.09Å; R240-T244 VanDerWaalsContact O-N 3.14Å
241	R	88.4	Confident	87	Confident	55 Å²	55	68.3 Å²	68.3	21%	0.208	36%	0.357	C	S	.	.	H	α-helix	trans	-62.3	-15.9	174.9	-59.1	-179.8	-176.7	171.6	-1.6	114.2	K238 H239 T244 G245 E246 R259	K238-R241 WeakPolarHBondContact O-CB 3.33Å; K238-R241 PolarHBondContact O-N 3.1Å; H239-R241 PolarHBondContact O-N 2.77Å; H239-R241 VanDerWaalsContact O-N 3.11Å; R241-T244 WeakPolarHBondContact CA-OG1 3.43Å; R241-G245 PolarHBondContact O-N 2.98Å; R241-E246 HydrophobicContact CB-CB 4.5Å; R241-E246 HydrophobicContact CG-CB 4.4Å; R241-R259 HydrophobicContact CB-CB 4.4Å; R241-R259 HydrophobicContact CB-CG 4.48Å; R241-R259 WeakPolarHBondContact CD-O 3.34Å; R241-R259 PolarHBondContact NH1-O 3.09Å; R241-R259 PolarHBondContact O-NE 3.05Å; R241-R259 VanDerWaalsContact O-NE 3.1Å
242	I	85.8	Confident	87	Confident	92 Å²	92	74.2 Å²	74.2	47%	0.472	39%	0.385	S	S	.	.	H	α-helix	trans	-69.3	-40.2	172	-60.4	177.3	0	0	0	110.1	H239 R240	H239-I242 VanDerWaalsContact O-CB 3.28Å; H239-I242 WeakPolarHBondContact O-CB 3.48Å; H239-I242 WeakPolarHBondContact O-CG1 3.43Å; H239-I242 PolarHBondContact O-N 3.31Å; R240-I242 PolarHBondContact O-N 3.43Å; R240-I242 VanDerWaalsContact O-N 3.12Å
243	H	85.2	Confident	86.9	Confident	74 Å²	74	77.6 Å²	77.6	34%	0.343	40%	0.401	S	S	.	.	H	α-helix	trans	-81.7	-40.3	-177.4	-56	-53.5	0	0	0	112.2	C223 V225 C226 H239 R240 G245	C223-H243 PolarHBondContact SG-NE2 2.93Å; C223-H243 VanDerWaalsContact SG-NE2 3.41Å; V225-H243 HydrophobicContact CG1-CB 4.26Å; C226-H243 PolarHBondContact SG-NE2 3.21Å; C226-H243 VanDerWaalsContact SG-NE2 3.44Å; H239-H243 AromaticContact CD2-NE2 3.98Å; H239-H243 AromaticContact NE2-NE2 3.25Å; H239-H243 PolarHBondContact NE2-NE2 2.82Å; R240-H243 PolarHBondContact O-N 2.93Å; H243-G245 VanDerWaalsContact C-N 3.28Å; H243-G245 PolarHBondContact O-N 2.87Å
244	T	83.8	Confident	86.9	Confident	71 Å²	71	77.3 Å²	77.3	44%	0.436	40%	0.398	S	S	.	.	H	α-helix	trans	-77.8	-14.9	178.7	62.2	0	0	0	0	113.1	R240 R241 E246	R240-T244 PolarHBondContact O-N 3.09Å; R240-T244 VanDerWaalsContact O-N 3.14Å; R241-T244 WeakPolarHBondContact CA-OG1 3.43Å; T244-E246 PolarHBondContact O-N 3.37Å; T244-E246 WeakPolarHBondContact OG1-CG 3.35Å
245	G	83.5	Confident	86.8	Confident	39 Å²	39	76.8 Å²	76.8	40%	0.402	40%	0.402	S	S	.	.			trans	73.2	-2.1	-176.7	0	0	0	0	0	114.7	R241 H243 K247	R241-G245 PolarHBondContact O-N 2.98Å; H243-G245 VanDerWaalsContact C-N 3.28Å; H243-G245 PolarHBondContact O-N 2.87Å; G245-K247 PolarHBondContact O-N 3.5Å
246	E	85.9	Confident	86.8	Confident	108 Å²	108	79.9 Å²	79.9	51%	0.505	41%	0.41	S	S	.	.			trans	-55.6	126.9	179.5	-74.3	170.7	-158.3	0	0	111.9	R241 T244	R241-E246 HydrophobicContact CB-CB 4.5Å; R241-E246 HydrophobicContact CG-CB 4.4Å; T244-E246 PolarHBondContact O-N 3.37Å; T244-E246 WeakPolarHBondContact OG1-CG 3.35Å
247	K	88.6	Confident	86.9	Confident	106 Å²	106	80.2 Å²	80.2	46%	0.461	42%	0.417	S	S	.	.			trans	-127.6	78.1	176.4	-71.8	166.6	168.9	-167.4	0	109.6	G245 Y249 A257 F258 R259	G245-K247 PolarHBondContact O-N 3.5Å; K247-Y249 PolarHBondContact O-N 2.92Å; K247-Y249 VanDerWaalsContact O-N 3.11Å; K247-A257 HydrophobicContact CB-CB 3.57Å; K247-A257 HydrophobicContact CD-CB 4.1Å; K247-A257 WeakPolarHBondContact CD-O 3.22Å; K247-A257 HydrophobicContact CG-CB 4.45Å; K247-F258 CarbonylContact C-O 3.27Å; K247-F258 VanDerWaalsContact CA-O 3.27Å; K247-F258 WeakPolarHBondContact CA-O 3.48Å; K247-R259 HydrophobicContact CG-CG 3.9Å
248	P	88.6	Confident	87	Confident	73 Å²	73	79.1 Å²	79.1	47%	0.474	40%	0.404	S	S	.	.			trans	-68.8	-10.8	-170.2	-21.9	35.1	0	0	0	115.1
249	Y	89.8	Confident	87.1	Confident	79 Å²	79	78.3 Å²	78.3	31%	0.31	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	101.1	-173.3	-54.1	-74.8	0	0	0	109.9	K247 A257 F258 S261	K247-Y249 PolarHBondContact O-N 2.92Å; K247-Y249 VanDerWaalsContact O-N 3.11Å; Y249-A257 CarbonylContact O-C 3.51Å; Y249-A257 WeakPolarHBondContact O-CA 3.4Å; Y249-F258 PolarHBondContact N-O 3.46Å; Y249-F258 PolarHBondContact O-N 3Å; Y249-S261 VanDerWaalsContact CD2-N 3.3Å; Y249-S261 VanDerWaalsContact CE2-N 3.29Å
250	E	88.1	Confident	87.1	Confident	113 Å²	113	78.8 Å²	78.8	53%	0.528	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	140.2	-179.5	-169.4	173.9	170.6	0	0	112	A257	E250-A257 HydrophobicContact CB-CB 4.35Å; E250-A257 HydrophobicContact CG-CB 4.39Å
251	C	91.1	Very high	87.1	Confident	0 Å²	0	75 Å²	75	0%	0	40%	0.397	C	S	.	.			trans	-83.2	115.4	171.3	-177	0	0	0	0	109.8	E253 C254 G255 K256 F258 L264 H268	C251-E253 PolarHBondContact O-N 2.91Å; C251-E253 VanDerWaalsContact O-N 3.16Å; C251-C254 PolarHBondContact O-N 3.49Å; C251-G255 VanDerWaalsContact O-CA 3.29Å; C251-G255 WeakPolarHBondContact O-CA 3.29Å; C251-G255 PolarHBondContact O-N 3.05Å; C251-K256 WeakPolarHBondContact CB-O 3.44Å; C251-K256 PolarHBondContact N-O 2.87Å; C251-F258 HydrophobicContact CB-CE2 4.42Å; C251-L264 HydrophobicContact CB-CD1 3.58Å; C251-H268 VanDerWaalsContact SG-CD2 3.58Å
252	N	87.2	Confident	87	Confident	160 Å²	160	75.6 Å²	75.6	86%	0.856	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-17.9	-178.5	-64.3	-16.3	0	0	0	113.6
253	E	86.3	Confident	87.1	Confident	128 Å²	128	74.6 Å²	74.6	60%	0.598	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-29.9	-177.7	-64	-174.2	-153.7	0	0	114	C251 H271	C251-E253 PolarHBondContact O-N 2.91Å; C251-E253 VanDerWaalsContact O-N 3.16Å; E253-H271 WeakPolarHBondContact OE2-CB 3.45Å; E253-H271 IonicContact OE2-CD2 3.51Å; E253-H271 IonicContact OE2-CG 3.74Å; E253-H271 IonicContact OE2-ND1 3.23Å; E253-H271 PolarHBondContact OE2-ND1 2.98Å
254	C	86.2	Confident	87.3	Confident	54 Å²	54	72.1 Å²	72.1	37%	0.365	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.8	5.8	-178.6	70.8	0	0	0	0	115.1	C251 K256 H267 H271	C251-C254 PolarHBondContact O-N 3.49Å; C254-K256 PolarHBondContact O-N 3.47Å; C254-K256 VanDerWaalsContact O-N 3.14Å; C254-H267 PolarHBondContact SG-NE2 3.36Å; C254-H271 PolarHBondContact SG-NE2 3.31Å; C254-H271 VanDerWaalsContact SG-NE2 3.35Å
255	G	84.3	Confident	87.4	Confident	43 Å²	43	71.5 Å²	71.5	44%	0.443	40%	0.397	S	S	.	.			trans	66.9	8.9	179.7	0	0	0	0	0	114.4	C251 A257	C251-G255 VanDerWaalsContact O-CA 3.29Å; C251-G255 WeakPolarHBondContact O-CA 3.29Å; C251-G255 PolarHBondContact O-N 3.05Å; G255-A257 PolarHBondContact O-N 3.37Å
256	K	86.4	Confident	87.5	Confident	124 Å²	124	73.4 Å²	73.4	54%	0.539	40%	0.395	S	S	.	.			trans	-76.1	123.8	179.3	-75.8	-179.4	-178.2	171.2	0	110.4	C251 C254 F258	C251-K256 WeakPolarHBondContact CB-O 3.44Å; C251-K256 PolarHBondContact N-O 2.87Å; C254-K256 PolarHBondContact O-N 3.47Å; C254-K256 VanDerWaalsContact O-N 3.14Å; K256-F258 HydrophobicContact CB-CE2 3.92Å; K256-F258 HydrophobicContact CB-CZ 4.12Å; K256-F258 WeakPolarHBondContact O-CD2 3.3Å; K256-F258 WeakPolarHBondContact O-CE2 3.37Å
257	A	89.4	Confident	87.6	Confident	32 Å²	32	69.1 Å²	69.1	26%	0.264	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	141.4	178.6	0	0	0	0	0	113.6	K247 Y249 E250 G255	K247-A257 HydrophobicContact CB-CB 3.57Å; K247-A257 HydrophobicContact CD-CB 4.1Å; K247-A257 WeakPolarHBondContact CD-O 3.22Å; K247-A257 HydrophobicContact CG-CB 4.45Å; Y249-A257 CarbonylContact O-C 3.51Å; Y249-A257 WeakPolarHBondContact O-CA 3.4Å; E250-A257 HydrophobicContact CB-CB 4.35Å; E250-A257 HydrophobicContact CG-CB 4.39Å; G255-A257 PolarHBondContact O-N 3.37Å
258	F	89	Confident	87.4	Confident	42 Å²	42	67.4 Å²	67.4	18%	0.184	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	151.5	-174	-60.4	-92.1	0	0	0	111.4	K247 Y249 C251 K256 D263 L264 H267	K247-F258 CarbonylContact C-O 3.27Å; K247-F258 VanDerWaalsContact CA-O 3.27Å; K247-F258 WeakPolarHBondContact CA-O 3.48Å; Y249-F258 PolarHBondContact N-O 3.46Å; Y249-F258 PolarHBondContact O-N 3Å; C251-F258 HydrophobicContact CB-CE2 4.42Å; K256-F258 HydrophobicContact CB-CE2 3.92Å; K256-F258 HydrophobicContact CB-CZ 4.12Å; K256-F258 WeakPolarHBondContact O-CD2 3.3Å; K256-F258 WeakPolarHBondContact O-CE2 3.37Å; F258-D263 HydrophobicContact CB-CB 4.25Å; F258-D263 HydrophobicContact CD1-CB 3.78Å; F258-D263 HydrophobicContact CG-CB 4.3Å; F258-L264 HydrophobicContact CB-CB 4.26Å; F258-L264 HydrophobicContact CD2-CB 3.86Å; F258-L264 HydrophobicContact CD2-CD1 3.58Å; F258-L264 HydrophobicContact CD2-CG 4.34Å; F258-L264 HydrophobicContact CE2-CD1 3.74Å; F258-L264 HydrophobicContact CG-CB 4.18Å; F258-H267 HydrophobicContact CE1-CB 3.88Å; F258-H267 HydrophobicContact CE2-CB 3.86Å; F258-H267 AromaticContact CE2-CD2 3.38Å; F258-H267 WeakPolarHBondContact CE2-CD2 3.35Å; F258-H267 AromaticContact CE2-CG 3.65Å; F258-H267 HydrophobicContact CZ-CB 3.37Å; F258-H267 AromaticContact CZ-CD2 3.39Å; F258-H267 WeakPolarHBondContact CZ-CD2 3.37Å; F258-H267 AromaticContact CZ-CG 3.18Å; F258-H267 AromaticContact CZ-ND1 3.71Å; F258-H267 AromaticContact CZ-NE2 3.96Å
259	R	87.2	Confident	87.3	Confident	89 Å²	89	67 Å²	67	34%	0.336	36%	0.36	S	S	.	.	S	Bend	trans	-82	-23.8	-179.3	-61.2	-171.7	174.7	91.2	-3.6	112.9	R241 K247	R241-R259 HydrophobicContact CB-CB 4.4Å; R241-R259 HydrophobicContact CB-CG 4.48Å; R241-R259 WeakPolarHBondContact CD-O 3.34Å; R241-R259 PolarHBondContact NH1-O 3.09Å; R241-R259 PolarHBondContact O-NE 3.05Å; R241-R259 VanDerWaalsContact O-NE 3.1Å; K247-R259 HydrophobicContact CG-CG 3.9Å
260	V	87.4	Confident	86.9	Confident	31 Å²	31	68.9 Å²	68.9	19%	0.188	37%	0.374	C	S	.	.	S	Bend	trans	-133.2	139.7	-177.3	-168	0	0	0	0	109.2	S262 D263 L264	V260-S262 VanDerWaalsContact C-N 3.29Å; V260-S262 VanDerWaalsContact CG1-OG 3.31Å; V260-S262 WeakPolarHBondContact CG1-OG 3.49Å; V260-S262 PolarHBondContact O-N 3.35Å; V260-D263 WeakPolarHBondContact O-CB 3.24Å; V260-D263 PolarHBondContact O-N 3.19Å; V260-D263 VanDerWaalsContact O-N 3.16Å; V260-L264 PolarHBondContact O-N 3.34Å
261	S	87.1	Confident	86.6	Confident	61 Å²	61	66.8 Å²	66.8	43%	0.427	36%	0.364	S	S	.	.	H	α-helix	trans	-63.6	-31.8	-178	53.5	0	0	0	0	113.5	Y249 D263 L264 A265	Y249-S261 VanDerWaalsContact CD2-N 3.3Å; Y249-S261 VanDerWaalsContact CE2-N 3.29Å; S261-D263 PolarHBondContact O-N 3.18Å; S261-L264 PolarHBondContact O-N 3.34Å; S261-A265 WeakPolarHBondContact O-CB 3.47Å; S261-A265 PolarHBondContact O-N 2.94Å
262	S	87.1	Confident	86.2	Confident	69 Å²	69	70.5 Å²	70.5	48%	0.483	39%	0.387	S	S	.	.	H	α-helix	trans	-60	-35.6	174.7	53.9	0	0	0	0	112.5	V260 A265 Q266	V260-S262 VanDerWaalsContact C-N 3.29Å; V260-S262 VanDerWaalsContact CG1-OG 3.31Å; V260-S262 WeakPolarHBondContact CG1-OG 3.49Å; V260-S262 PolarHBondContact O-N 3.35Å; S262-A265 PolarHBondContact O-N 2.88Å; S262-Q266 WeakPolarHBondContact O-CB 3.29Å; S262-Q266 PolarHBondContact O-N 2.98Å
263	D	87.6	Confident	85.8	Confident	70 Å²	70	65.1 Å²	65.1	37%	0.374	37%	0.369	S	S	.	.	H	α-helix	trans	-73.7	-38.3	-179	-56.6	-13.9	0	0	0	110.2	F258 V260 S261 Q266 H267	F258-D263 HydrophobicContact CB-CB 4.25Å; F258-D263 HydrophobicContact CD1-CB 3.78Å; F258-D263 HydrophobicContact CG-CB 4.3Å; V260-D263 WeakPolarHBondContact O-CB 3.24Å; V260-D263 PolarHBondContact O-N 3.19Å; V260-D263 VanDerWaalsContact O-N 3.16Å; S261-D263 PolarHBondContact O-N 3.18Å; D263-Q266 PolarHBondContact O-N 3.07Å; D263-H267 VanDerWaalsContact O-CB 3.26Å; D263-H267 WeakPolarHBondContact O-CB 3.42Å; D263-H267 PolarHBondContact O-N 3.2Å
264	L	89.2	Confident	85.6	Confident	23 Å²	23	64.3 Å²	64.3	12%	0.12	37%	0.365	C	S	.	.	H	α-helix	trans	-63	-47.1	171.5	176.9	64.9	0	0	0	111.1	C251 F258 V260 S261 Q266 H267 H268	C251-L264 HydrophobicContact CB-CD1 3.58Å; F258-L264 HydrophobicContact CB-CB 4.26Å; F258-L264 HydrophobicContact CD2-CB 3.86Å; F258-L264 HydrophobicContact CD2-CD1 3.58Å; F258-L264 HydrophobicContact CD2-CG 4.34Å; F258-L264 HydrophobicContact CE2-CD1 3.74Å; F258-L264 HydrophobicContact CG-CB 4.18Å; V260-L264 PolarHBondContact O-N 3.34Å; S261-L264 PolarHBondContact O-N 3.34Å; L264-Q266 VanDerWaalsContact C-N 3.27Å; L264-Q266 PolarHBondContact O-N 3.26Å; L264-H267 CarbonylContact O-C 3.59Å; L264-H267 WeakPolarHBondContact O-CA 3.49Å; L264-H267 WeakPolarHBondContact O-CB 3.43Å; L264-H267 PolarHBondContact O-N 2.6Å; L264-H268 VanDerWaalsContact CD1-NE2 3.34Å; L264-H268 WeakPolarHBondContact CD1-NE2 3.4Å; L264-H268 PolarHBondContact O-CD2 3.2Å; L264-H268 PolarHBondContact O-N 3.41Å
265	A	85.9	Confident	85.5	Confident	58 Å²	58	67.4 Å²	67.4	48%	0.479	37%	0.372	S	S	.	.	H	α-helix	trans	-61	-37.9	177.9	0	0	0	0	0	112	S261 S262	S261-A265 WeakPolarHBondContact O-CB 3.47Å; S261-A265 PolarHBondContact O-N 2.94Å; S262-A265 PolarHBondContact O-N 2.88Å
266	Q	85.7	Confident	85.5	Confident	79 Å²	79	69 Å²	69	37%	0.369	38%	0.375	S	S	.	.	H	α-helix	trans	-68.6	-38.4	172.7	177.5	172.7	87.4	0	0	112.2	S262 D263 L264 K269	S262-Q266 WeakPolarHBondContact O-CB 3.29Å; S262-Q266 PolarHBondContact O-N 2.98Å; D263-Q266 PolarHBondContact O-N 3.07Å; L264-Q266 VanDerWaalsContact C-N 3.27Å; L264-Q266 PolarHBondContact O-N 3.26Å; Q266-K269 WeakPolarHBondContact O-CB 3.49Å; Q266-K269 PolarHBondContact O-N 3.39Å
267	H	86.9	Confident	85.5	Confident	17 Å²	17	65.8 Å²	65.8	8%	0.079	36%	0.362	C	S	.	.	H	α-helix	trans	-65.8	-38.2	177.5	173.5	64.7	0	0	0	112.6	C254 F258 D263 L264 K269 I270 H271	C254-H267 PolarHBondContact SG-NE2 3.36Å; F258-H267 HydrophobicContact CE1-CB 3.88Å; F258-H267 HydrophobicContact CE2-CB 3.86Å; F258-H267 AromaticContact CE2-CD2 3.38Å; F258-H267 WeakPolarHBondContact CE2-CD2 3.35Å; F258-H267 AromaticContact CE2-CG 3.65Å; F258-H267 HydrophobicContact CZ-CB 3.37Å; F258-H267 AromaticContact CZ-CD2 3.39Å; F258-H267 WeakPolarHBondContact CZ-CD2 3.37Å; F258-H267 AromaticContact CZ-CG 3.18Å; F258-H267 AromaticContact CZ-ND1 3.71Å; F258-H267 AromaticContact CZ-NE2 3.96Å; D263-H267 VanDerWaalsContact O-CB 3.26Å; D263-H267 WeakPolarHBondContact O-CB 3.42Å; D263-H267 PolarHBondContact O-N 3.2Å; L264-H267 CarbonylContact O-C 3.59Å; L264-H267 WeakPolarHBondContact O-CA 3.49Å; L264-H267 WeakPolarHBondContact O-CB 3.43Å; L264-H267 PolarHBondContact O-N 2.6Å; H267-K269 PolarHBondContact O-N 2.81Å; H267-K269 VanDerWaalsContact O-N 3.12Å; H267-I270 VanDerWaalsContact O-CB 3.24Å; H267-I270 WeakPolarHBondContact O-CB 3.09Å; H267-I270 WeakPolarHBondContact O-CG1 3.49Å; H267-I270 PolarHBondContact O-N 3.15Å; H267-H271 AromaticContact CE1-NE2 3.77Å; H267-H271 AromaticContact NE2-CD2 3.91Å; H267-H271 AromaticContact NE2-NE2 3.36Å; H267-H271 PolarHBondContact NE2-NE2 3.11Å
268	H	84.3	Confident	85.4	Confident	70 Å²	70	68.9 Å²	68.9	32%	0.324	37%	0.371	S	S	.	.	H	α-helix	trans	-55.8	-29.3	175.7	-77.3	-168.7	0	0	0	112.9	C251 L264 I270 H271 T272	C251-H268 VanDerWaalsContact SG-CD2 3.58Å; L264-H268 VanDerWaalsContact CD1-NE2 3.34Å; L264-H268 WeakPolarHBondContact CD1-NE2 3.4Å; L264-H268 PolarHBondContact O-CD2 3.2Å; L264-H268 PolarHBondContact O-N 3.41Å; H268-I270 PolarHBondContact O-N 3.3Å; H268-I270 VanDerWaalsContact O-N 3.12Å; H268-H271 WeakPolarHBondContact O-CB 3.42Å; H268-H271 PolarHBondContact O-N 3.39Å; H268-T272 PolarHBondContact O-N 2.82Å; H268-T272 VanDerWaalsContact O-N 3.08Å; H268-T272 PolarHBondContact O-OG1 3.45Å
269	K	86.5	Confident	85.5	Confident	66 Å²	66	67 Å²	67	29%	0.287	36%	0.362	S	S	.	.	H	α-helix	trans	-62.6	-19.4	175	-57.5	-174.1	179.3	-171	0	114	Q266 H267 T272 G273 E274 T287	Q266-K269 WeakPolarHBondContact O-CB 3.49Å; Q266-K269 PolarHBondContact O-N 3.39Å; H267-K269 PolarHBondContact O-N 2.81Å; H267-K269 VanDerWaalsContact O-N 3.12Å; K269-T272 WeakPolarHBondContact CA-OG1 3.41Å; K269-G273 PolarHBondContact O-N 3.35Å; K269-E274 PolarHBondContact O-N 3.28Å; K269-T287 HydrophobicContact CB-CG2 4.26Å
270	I	82.2	Confident	85.5	Confident	117 Å²	117	70.3 Å²	70.3	60%	0.6	39%	0.386	S	S	*	.	H	α-helix	trans	-71.7	-37.7	174.1	-57.4	178.8	0	0	0	110.2	H267 H268	H267-I270 VanDerWaalsContact O-CB 3.24Å; H267-I270 WeakPolarHBondContact O-CB 3.09Å; H267-I270 WeakPolarHBondContact O-CG1 3.49Å; H267-I270 PolarHBondContact O-N 3.15Å; H268-I270 PolarHBondContact O-N 3.3Å; H268-I270 VanDerWaalsContact O-N 3.12Å
271	H	82.3	Confident	85.5	Confident	69 Å²	69	75.1 Å²	75.1	32%	0.319	41%	0.407	S	S	.	.	H	α-helix	trans	-76.6	-44.7	-179.4	-71.1	-69.8	0	0	0	112.3	E253 C254 H267 H268 G273	E253-H271 WeakPolarHBondContact OE2-CB 3.45Å; E253-H271 IonicContact OE2-CD2 3.51Å; E253-H271 IonicContact OE2-CG 3.74Å; E253-H271 IonicContact OE2-ND1 3.23Å; E253-H271 PolarHBondContact OE2-ND1 2.98Å; C254-H271 PolarHBondContact SG-NE2 3.31Å; C254-H271 VanDerWaalsContact SG-NE2 3.35Å; H267-H271 AromaticContact CE1-NE2 3.77Å; H267-H271 AromaticContact NE2-CD2 3.91Å; H267-H271 AromaticContact NE2-NE2 3.36Å; H267-H271 PolarHBondContact NE2-NE2 3.11Å; H268-H271 WeakPolarHBondContact O-CB 3.42Å; H268-H271 PolarHBondContact O-N 3.39Å; H271-G273 PolarHBondContact O-N 2.98Å
272	T	81.8	Confident	85.5	Confident	79 Å²	79	74.5 Å²	74.5	49%	0.485	40%	0.402	S	S	.	.	S	Bend	trans	-72.1	-13.6	177.4	62.7	0	0	0	0	112.9	H268 K269 E274	H268-T272 PolarHBondContact O-N 2.82Å; H268-T272 VanDerWaalsContact O-N 3.08Å; H268-T272 PolarHBondContact O-OG1 3.45Å; K269-T272 WeakPolarHBondContact CA-OG1 3.41Å; T272-E274 PolarHBondContact O-N 3.33Å; T272-E274 VanDerWaalsContact O-N 3.15Å; T272-E274 WeakPolarHBondContact OG1-CG 3.45Å; T272-E274 PolarHBondContact OG1-N 3.43Å
273	G	80.1	Confident	85.5	Confident	47 Å²	47	80.8 Å²	80.8	49%	0.485	42%	0.415	S	S	.	.			trans	69	4.1	-175.6	0	0	0	0	0	114	K269 H271 K275	K269-G273 PolarHBondContact O-N 3.35Å; H271-G273 PolarHBondContact O-N 2.98Å; G273-K275 PolarHBondContact O-N 3.22Å; G273-K275 VanDerWaalsContact O-N 3.17Å
274	E	80.7	Confident	85.3	Confident	111 Å²	111	83.6 Å²	83.6	52%	0.519	42%	0.424	S	S	.	.			trans	-62.5	116.2	-178.8	-74.1	179.9	-178.1	0	0	111	K269 T272 P276	K269-E274 PolarHBondContact O-N 3.28Å; T272-E274 PolarHBondContact O-N 3.33Å; T272-E274 VanDerWaalsContact O-N 3.15Å; T272-E274 WeakPolarHBondContact OG1-CG 3.45Å; T272-E274 PolarHBondContact OG1-N 3.43Å; E274-P276 WeakPolarHBondContact O-CD 3.46Å
275	K	84.2	Confident	85.3	Confident	119 Å²	119	84 Å²	84	52%	0.517	43%	0.43	S	S	.	.			trans	-123.6	78.4	175.3	-68.4	167.9	176.4	-177.3	0	109.4	G273 H277 A285 F286 T287	G273-K275 PolarHBondContact O-N 3.22Å; G273-K275 VanDerWaalsContact O-N 3.17Å; K275-H277 PolarHBondContact O-N 3.26Å; K275-A285 HydrophobicContact CB-CB 3.41Å; K275-A285 VanDerWaalsContact CB-CB 3.41Å; K275-A285 HydrophobicContact CD-CB 3.95Å; K275-A285 WeakPolarHBondContact CD-O 3.47Å; K275-A285 HydrophobicContact CG-CB 4.3Å; K275-F286 CarbonylContact C-O 3.5Å; K275-F286 WeakPolarHBondContact CA-O 3.45Å; K275-T287 HydrophobicContact CG-CG2 4.09Å
276	P	84.8	Confident	85.3	Confident	77 Å²	77	83.4 Å²	83.4	50%	0.5	42%	0.417	S	S	.	.			trans	-66.4	-12.7	-170.2	-21.8	34.6	0	0	0	114.7	E274	E274-P276 WeakPolarHBondContact O-CD 3.46Å
277	H	87.3	Confident	85.4	Confident	55 Å²	55	81.2 Å²	81.2	26%	0.255	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	93.4	-172.6	-56.8	-64	0	0	0	110	K275 A285 F286 L289 L292	K275-H277 PolarHBondContact O-N 3.26Å; H277-A285 CarbonylContact O-C 3.55Å; H277-A285 WeakPolarHBondContact O-CA 3.4Å; H277-F286 HydrophobicContact CB-CB 4.47Å; H277-F286 PolarHBondContact N-O 3.19Å; H277-F286 PolarHBondContact O-N 3Å; H277-L289 PolarHBondContact CD2-N 3.01Å; H277-L289 PolarHBondContact NE2-N 3.19Å; H277-L292 HydrophobicContact CB-CB 4.04Å; H277-L292 HydrophobicContact CB-CD2 3.79Å
278	E	87.4	Confident	85.3	Confident	98 Å²	98	82.5 Å²	82.5	46%	0.458	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	136.9	178.9	-169.5	178.4	168.5	0	0	112.2	R283 A285	E278-R283 WeakPolarHBondContact OE1-CA 3.37Å; E278-R283 WeakPolarHBondContact OE1-CB 3.37Å; E278-A285 HydrophobicContact CB-CB 4.33Å; E278-A285 HydrophobicContact CG-CB 4.39Å
279	C	89.8	Confident	85.4	Confident	1 Å²	1	83.6 Å²	83.6	1%	0.007	42%	0.423	C	S	.	.			trans	-80	117.3	168.8	179.7	0	0	0	0	109.9	E281 C282 R283 K284 F286 L292 H299	C279-E281 PolarHBondContact O-N 3.18Å; C279-C282 VanDerWaalsContact SG-SG 3.67Å; C279-R283 WeakPolarHBondContact O-CA 3.45Å; C279-R283 PolarHBondContact O-N 3.33Å; C279-K284 WeakPolarHBondContact CB-O 3.12Å; C279-K284 PolarHBondContact N-O 3.32Å; C279-F286 HydrophobicContact CB-CE2 4.45Å; C279-L292 HydrophobicContact CB-CD1 3.58Å; C279-H299 PolarHBondContact SG-NE2 3.11Å
280	L	87.3	Confident	85.4	Confident	160 Å²	160	83.7 Å²	83.7	84%	0.838	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-23	-177.4	-60.3	178.7	0	0	0	114
281	E	87.6	Confident	85.6	Confident	132 Å²	132	81.5 Å²	81.5	62%	0.617	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-36.6	-176.6	-67.6	173.2	179.2	0	0	113.1	C279 H299	C279-E281 PolarHBondContact O-N 3.18Å; E281-H299 WeakPolarHBondContact OE2-CB 3.49Å; E281-H299 IonicContact OE2-CD2 3.98Å; E281-H299 PolarHBondContact OE2-CD2 3.34Å; E281-H299 IonicContact OE2-CG 3.13Å; E281-H299 IonicContact OE2-ND1 3.44Å; E281-H299 IonicContact OE2-NE2 2.96Å
282	C	87.7	Confident	85.9	Confident	47 Å²	47	78.9 Å²	78.9	32%	0.318	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.9	4.3	-177.3	76.3	0	0	0	0	114.1	C279 K284 H295	C279-C282 VanDerWaalsContact SG-SG 3.67Å; C282-K284 PolarHBondContact O-N 2.72Å; C282-K284 VanDerWaalsContact SG-CB 3.56Å; C282-K284 VanDerWaalsContact SG-CG 3.57Å; C282-H295 PolarHBondContact SG-NE2 3.11Å
283	R	86	Confident	86.2	Confident	202 Å²	202	79 Å²	79	76%	0.762	40%	0.404	S	S	*	.			trans	55.7	16.5	-178.3	-58.5	-172.5	-176.5	177.9	-0.3	115	E278 C279 A285	E278-R283 WeakPolarHBondContact OE1-CA 3.37Å; E278-R283 WeakPolarHBondContact OE1-CB 3.37Å; C279-R283 WeakPolarHBondContact O-CA 3.45Å; C279-R283 PolarHBondContact O-N 3.33Å; R283-A285 PolarHBondContact O-N 3.5Å
284	K	84.8	Confident	86.4	Confident	128 Å²	128	79.9 Å²	79.9	56%	0.557	40%	0.396	S	S	*	.			trans	-75	124.6	173.9	-72.8	-177.6	179	177.4	0	109.4	C279 C282 F286	C279-K284 WeakPolarHBondContact CB-O 3.12Å; C279-K284 PolarHBondContact N-O 3.32Å; C282-K284 PolarHBondContact O-N 2.72Å; C282-K284 VanDerWaalsContact SG-CB 3.56Å; C282-K284 VanDerWaalsContact SG-CG 3.57Å; K284-F286 HydrophobicContact CB-CE2 3.99Å; K284-F286 HydrophobicContact CB-CZ 4.11Å; K284-F286 VanDerWaalsContact O-CE2 3.31Å; K284-F286 WeakPolarHBondContact O-CE2 3.46Å
285	A	88	Confident	86.8	Confident	32 Å²	32	75.6 Å²	75.6	26%	0.264	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	142.5	179.4	0	0	0	0	0	112.2	K275 H277 E278 R283	K275-A285 HydrophobicContact CB-CB 3.41Å; K275-A285 VanDerWaalsContact CB-CB 3.41Å; K275-A285 HydrophobicContact CD-CB 3.95Å; K275-A285 WeakPolarHBondContact CD-O 3.47Å; K275-A285 HydrophobicContact CG-CB 4.3Å; H277-A285 CarbonylContact O-C 3.55Å; H277-A285 WeakPolarHBondContact O-CA 3.4Å; E278-A285 HydrophobicContact CB-CB 4.33Å; E278-A285 HydrophobicContact CG-CB 4.39Å; R283-A285 PolarHBondContact O-N 3.5Å
286	F	87.1	Confident	86.9	Confident	45 Å²	45	73.6 Å²	73.6	20%	0.197	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	148.7	-176.1	-59.4	-89.7	0	0	0	110.9	K275 H277 C279 K284 Q288 H291 L292 H295	K275-F286 CarbonylContact C-O 3.5Å; K275-F286 WeakPolarHBondContact CA-O 3.45Å; H277-F286 HydrophobicContact CB-CB 4.47Å; H277-F286 PolarHBondContact N-O 3.19Å; H277-F286 PolarHBondContact O-N 3Å; C279-F286 HydrophobicContact CB-CE2 4.45Å; K284-F286 HydrophobicContact CB-CE2 3.99Å; K284-F286 HydrophobicContact CB-CZ 4.11Å; K284-F286 VanDerWaalsContact O-CE2 3.31Å; K284-F286 WeakPolarHBondContact O-CE2 3.46Å; F286-Q288 VanDerWaalsContact C-N 3.28Å; F286-Q288 PolarHBondContact O-N 3.49Å; F286-H291 HydrophobicContact CB-CB 4.27Å; F286-H291 HydrophobicContact CD1-CB 3.9Å; F286-H291 HydrophobicContact CG-CB 4.3Å; F286-L292 HydrophobicContact CB-CB 4.41Å; F286-L292 HydrophobicContact CD2-CB 3.91Å; F286-L292 HydrophobicContact CD2-CD1 3.82Å; F286-L292 HydrophobicContact CD2-CG 4.47Å; F286-L292 HydrophobicContact CE2-CD1 3.97Å; F286-L292 HydrophobicContact CG-CB 4.36Å; F286-H295 HydrophobicContact CE1-CB 4.04Å; F286-H295 HydrophobicContact CE2-CB 3.78Å; F286-H295 AromaticContact CE2-CD2 3.54Å; F286-H295 AromaticContact CE2-CG 3.63Å; F286-H295 HydrophobicContact CZ-CB 3.4Å; F286-H295 AromaticContact CZ-CD2 3.6Å; F286-H295 AromaticContact CZ-CG 3.24Å; F286-H295 AromaticContact CZ-ND1 3.72Å
287	T	86.4	Confident	87.1	Confident	33 Å²	33	72.6 Å²	72.6	20%	0.202	35%	0.354	C	S	.	.	S	Bend	trans	-77.7	-14.3	176.6	56.4	0	0	0	0	113.1	K269 K275	K269-T287 HydrophobicContact CB-CG2 4.26Å; K275-T287 HydrophobicContact CG-CG2 4.09Å
288	Q	86.3	Confident	86.9	Confident	45 Å²	45	75.1 Å²	75.1	21%	0.21	37%	0.369	C	S	.	.	S	Bend	trans	-136.6	138.3	-176.9	-55.9	179.2	38.8	0	0	110.9	F286 S290 H291 L292	F286-Q288 VanDerWaalsContact C-N 3.28Å; F286-Q288 PolarHBondContact O-N 3.49Å; Q288-S290 VanDerWaalsContact C-N 3.34Å; Q288-S290 PolarHBondContact O-N 3.08Å; Q288-H291 HydrophobicContact CB-CB 4.45Å; Q288-H291 PolarHBondContact NE2-CE1 2.94Å; Q288-H291 VanDerWaalsContact NE2-CE1 3.27Å; Q288-H291 PolarHBondContact O-N 2.86Å; Q288-L292 PolarHBondContact O-N 2.93Å
289	L	86.1	Confident	86.9	Confident	92 Å²	92	74 Å²	74	48%	0.482	36%	0.363	S	S	.	.	H	α-helix	trans	-63.3	-38.1	177.9	-178	59.9	0	0	0	112.6	H277 H291 L292 I293	H277-L289 PolarHBondContact CD2-N 3.01Å; H277-L289 PolarHBondContact NE2-N 3.19Å; L289-H291 VanDerWaalsContact C-N 3.25Å; L289-H291 PolarHBondContact O-N 3.31Å; L289-L292 HydrophobicContact CD1-CD2 4.27Å; L289-L292 WeakPolarHBondContact O-CB 3.31Å; L289-L292 PolarHBondContact O-N 3.33Å; L289-L292 VanDerWaalsContact O-N 3.09Å; L289-I293 HydrophobicContact CD1-CD1 4.37Å; L289-I293 HydrophobicContact CD1-CG1 4.34Å; L289-I293 HydrophobicContact CG-CD1 3.97Å; L289-I293 HydrophobicContact CG-CG1 4.38Å; L289-I293 WeakPolarHBondContact O-CG1 3.38Å; L289-I293 PolarHBondContact O-N 3.01Å
290	S	85.2	Confident	86.6	Confident	68 Å²	68	77.7 Å²	77.7	48%	0.476	39%	0.386	S	S	.	.	H	α-helix	trans	-57	-38.8	176.6	52.1	0	0	0	0	112.5	Q288 Q294	Q288-S290 VanDerWaalsContact C-N 3.34Å; Q288-S290 PolarHBondContact O-N 3.08Å; S290-Q294 VanDerWaalsContact O-CB 3.27Å; S290-Q294 WeakPolarHBondContact O-CB 3.47Å; S290-Q294 PolarHBondContact O-N 3.32Å
291	H	87.9	Confident	86.5	Confident	72 Å²	72	72.3 Å²	72.3	33%	0.333	37%	0.369	S	S	.	.	H	α-helix	trans	-71.7	-35.9	176.5	-63.8	163.7	0	0	0	112.2	F286 Q288 L289 Q294 H295	F286-H291 HydrophobicContact CB-CB 4.27Å; F286-H291 HydrophobicContact CD1-CB 3.9Å; F286-H291 HydrophobicContact CG-CB 4.3Å; Q288-H291 HydrophobicContact CB-CB 4.45Å; Q288-H291 PolarHBondContact NE2-CE1 2.94Å; Q288-H291 VanDerWaalsContact NE2-CE1 3.27Å; Q288-H291 PolarHBondContact O-N 2.86Å; L289-H291 VanDerWaalsContact C-N 3.25Å; L289-H291 PolarHBondContact O-N 3.31Å; H291-Q294 PolarHBondContact O-N 3.49Å; H291-H295 VanDerWaalsContact O-CB 3.23Å; H291-H295 WeakPolarHBondContact O-CB 3.47Å; H291-H295 PolarHBondContact O-N 2.88Å
292	L	88.8	Confident	86.4	Confident	13 Å²	13	71.4 Å²	71.4	7%	0.068	37%	0.365	C	S	.	.	H	α-helix	trans	-64	-49.6	173	172.7	61.9	0	0	0	111	H277 C279 F286 Q288 L289 Q294 H295 Q296	H277-L292 HydrophobicContact CB-CB 4.04Å; H277-L292 HydrophobicContact CB-CD2 3.79Å; C279-L292 HydrophobicContact CB-CD1 3.58Å; F286-L292 HydrophobicContact CB-CB 4.41Å; F286-L292 HydrophobicContact CD2-CB 3.91Å; F286-L292 HydrophobicContact CD2-CD1 3.82Å; F286-L292 HydrophobicContact CD2-CG 4.47Å; F286-L292 HydrophobicContact CE2-CD1 3.97Å; F286-L292 HydrophobicContact CG-CB 4.36Å; Q288-L292 PolarHBondContact O-N 2.93Å; L289-L292 HydrophobicContact CD1-CD2 4.27Å; L289-L292 WeakPolarHBondContact O-CB 3.31Å; L289-L292 PolarHBondContact O-N 3.33Å; L289-L292 VanDerWaalsContact O-N 3.09Å; L292-Q294 VanDerWaalsContact C-N 3.27Å; L292-Q294 PolarHBondContact O-N 2.95Å; L292-H295 CarbonylContact O-C 3.34Å; L292-H295 WeakPolarHBondContact O-CA 2.94Å; L292-H295 WeakPolarHBondContact O-CB 3.49Å; L292-H295 PolarHBondContact O-N 3.14Å; L292-Q296 HydrophobicContact CD1-CG 4.16Å; L292-Q296 HydrophobicContact CG-CG 4.49Å; L292-Q296 WeakPolarHBondContact O-CG 3.37Å; L292-Q296 PolarHBondContact O-N 3.49Å
293	I	86.2	Confident	86.4	Confident	82 Å²	82	75.8 Å²	75.8	42%	0.421	38%	0.375	S	S	.	.	H	α-helix	trans	-58.7	-42.6	177.9	-67	170.2	0	0	0	110.3	L289 H295 Q296	L289-I293 HydrophobicContact CD1-CD1 4.37Å; L289-I293 HydrophobicContact CD1-CG1 4.34Å; L289-I293 HydrophobicContact CG-CD1 3.97Å; L289-I293 HydrophobicContact CG-CG1 4.38Å; L289-I293 WeakPolarHBondContact O-CG1 3.38Å; L289-I293 PolarHBondContact O-N 3.01Å; I293-H295 VanDerWaalsContact C-N 3.34Å; I293-Q296 PolarHBondContact O-N 3.23Å
294	Q	85.9	Confident	86.6	Confident	66 Å²	66	69.6 Å²	69.6	31%	0.308	36%	0.361	S	S	.	.	H	α-helix	trans	-63.5	-40.1	175	-179.7	177.6	39.9	0	0	112.3	S290 H291 L292 R297 H316	S290-Q294 VanDerWaalsContact O-CB 3.27Å; S290-Q294 WeakPolarHBondContact O-CB 3.47Å; S290-Q294 PolarHBondContact O-N 3.32Å; H291-Q294 PolarHBondContact O-N 3.49Å; L292-Q294 VanDerWaalsContact C-N 3.27Å; L292-Q294 PolarHBondContact O-N 2.95Å; Q294-R297 WeakPolarHBondContact O-CB 3.05Å; Q294-R297 PolarHBondContact O-N 3.46Å; Q294-H316 VanDerWaalsContact CD-NE2 3.3Å; Q294-H316 WeakPolarHBondContact CG-NE2 3.37Å; Q294-H316 PolarHBondContact NE2-CD2 2.75Å; Q294-H316 PolarHBondContact NE2-CE1 2.84Å; Q294-H316 PolarHBondContact NE2-ND1 3.17Å; Q294-H316 PolarHBondContact NE2-NE2 3.47Å
295	H	88.1	Confident	86.9	Confident	20 Å²	20	67.4 Å²	67.4	9%	0.093	35%	0.35	C	S	.	.	H	α-helix	trans	-66.7	-39.9	177.5	171.9	68.7	0	0	0	112.4	C282 F286 H291 L292 I293 R297 I298 H299	C282-H295 PolarHBondContact SG-NE2 3.11Å; F286-H295 HydrophobicContact CE1-CB 4.04Å; F286-H295 HydrophobicContact CE2-CB 3.78Å; F286-H295 AromaticContact CE2-CD2 3.54Å; F286-H295 AromaticContact CE2-CG 3.63Å; F286-H295 HydrophobicContact CZ-CB 3.4Å; F286-H295 AromaticContact CZ-CD2 3.6Å; F286-H295 AromaticContact CZ-CG 3.24Å; F286-H295 AromaticContact CZ-ND1 3.72Å; H291-H295 VanDerWaalsContact O-CB 3.23Å; H291-H295 WeakPolarHBondContact O-CB 3.47Å; H291-H295 PolarHBondContact O-N 2.88Å; L292-H295 CarbonylContact O-C 3.34Å; L292-H295 WeakPolarHBondContact O-CA 2.94Å; L292-H295 WeakPolarHBondContact O-CB 3.49Å; L292-H295 PolarHBondContact O-N 3.14Å; I293-H295 VanDerWaalsContact C-N 3.34Å; H295-R297 PolarHBondContact O-N 3.21Å; H295-R297 VanDerWaalsContact O-N 3.13Å; H295-I298 VanDerWaalsContact O-CB 3.24Å; H295-I298 WeakPolarHBondContact O-CB 3.48Å; H295-I298 WeakPolarHBondContact O-CG1 3.41Å; H295-I298 PolarHBondContact O-N 2.75Å; H295-H299 AromaticContact CD2-NE2 3.92Å; H295-H299 AromaticContact CE1-NE2 3.87Å; H295-H299 AromaticContact NE2-CE1 3.85Å; H295-H299 AromaticContact NE2-NE2 3.17Å; H295-H299 PolarHBondContact NE2-NE2 2.68Å; H295-H299 VanDerWaalsContact NE2-NE2 3.17Å
296	Q	86.7	Confident	87	Confident	78 Å²	78	69.7 Å²	69.7	36%	0.364	36%	0.36	S	S	.	.	H	α-helix	trans	-57.5	-28.1	178.7	-76.9	173.2	-36.9	0	0	112.7	L292 I293 I298 H299 T300	L292-Q296 HydrophobicContact CD1-CG 4.16Å; L292-Q296 HydrophobicContact CG-CG 4.49Å; L292-Q296 WeakPolarHBondContact O-CG 3.37Å; L292-Q296 PolarHBondContact O-N 3.49Å; I293-Q296 PolarHBondContact O-N 3.23Å; Q296-I298 PolarHBondContact O-N 3.14Å; Q296-I298 VanDerWaalsContact O-N 3.1Å; Q296-H299 PolarHBondContact O-N 3.38Å; Q296-T300 PolarHBondContact O-N 3.44Å; Q296-T300 PolarHBondContact O-OG1 3.5Å
297	R	87.8	Confident	87.2	Confident	55 Å²	55	67.6 Å²	67.6	21%	0.208	35%	0.351	C	S	.	.	H	α-helix	trans	-60	-20.2	173.2	-61.4	-179.2	-177.8	166	3.4	114.2	Q294 H295 H299 T300 G301 E302 N315	Q294-R297 WeakPolarHBondContact O-CB 3.05Å; Q294-R297 PolarHBondContact O-N 3.46Å; H295-R297 PolarHBondContact O-N 3.21Å; H295-R297 VanDerWaalsContact O-N 3.13Å; R297-H299 VanDerWaalsContact C-N 3.33Å; R297-T300 WeakPolarHBondContact CA-OG1 3.3Å; R297-G301 WeakPolarHBondContact O-CA 3.42Å; R297-G301 PolarHBondContact O-N 3.44Å; R297-G301 VanDerWaalsContact O-N 3.12Å; R297-E302 HydrophobicContact CB-CB 4.45Å; R297-E302 HydrophobicContact CG-CB 4.29Å; R297-E302 PolarHBondContact O-N 3.31Å; R297-N315 PolarHBondContact NH1-O 3.01Å
298	I	84.9	Confident	87.2	Confident	109 Å²	109	71 Å²	71	56%	0.559	37%	0.374	S	S	*	.	H	α-helix	trans	-69.6	-37	175	-60.6	177	0	0	0	110.2	H295 Q296	H295-I298 VanDerWaalsContact O-CB 3.24Å; H295-I298 WeakPolarHBondContact O-CB 3.48Å; H295-I298 WeakPolarHBondContact O-CG1 3.41Å; H295-I298 PolarHBondContact O-N 2.75Å; Q296-I298 PolarHBondContact O-N 3.14Å; Q296-I298 VanDerWaalsContact O-N 3.1Å
299	H	85.9	Confident	87.2	Confident	73 Å²	73	74.3 Å²	74.3	34%	0.338	39%	0.392	S	S	.	.	H	α-helix	trans	-86.4	-41.7	-177.4	-52.1	-54.4	0	0	0	112.2	C279 E281 H295 Q296 R297 G301	C279-H299 PolarHBondContact SG-NE2 3.11Å; E281-H299 WeakPolarHBondContact OE2-CB 3.49Å; E281-H299 IonicContact OE2-CD2 3.98Å; E281-H299 PolarHBondContact OE2-CD2 3.34Å; E281-H299 IonicContact OE2-CG 3.13Å; E281-H299 IonicContact OE2-ND1 3.44Å; E281-H299 IonicContact OE2-NE2 2.96Å; H295-H299 AromaticContact CD2-NE2 3.92Å; H295-H299 AromaticContact CE1-NE2 3.87Å; H295-H299 AromaticContact NE2-CE1 3.85Å; H295-H299 AromaticContact NE2-NE2 3.17Å; H295-H299 PolarHBondContact NE2-NE2 2.68Å; H295-H299 VanDerWaalsContact NE2-NE2 3.17Å; Q296-H299 PolarHBondContact O-N 3.38Å; R297-H299 VanDerWaalsContact C-N 3.33Å; H299-G301 PolarHBondContact O-N 2.99Å
300	T	84.6	Confident	87.3	Confident	79 Å²	79	72.5 Å²	72.5	49%	0.485	39%	0.387	S	S	.	.	H	α-helix	trans	-73.2	-14.9	176.5	63	0	0	0	0	112.7	Q296 R297 E302	Q296-T300 PolarHBondContact O-N 3.44Å; Q296-T300 PolarHBondContact O-OG1 3.5Å; R297-T300 WeakPolarHBondContact CA-OG1 3.3Å; T300-E302 PolarHBondContact O-N 2.91Å; T300-E302 WeakPolarHBondContact OG1-CG 3.3Å; T300-E302 PolarHBondContact OG1-N 3.2Å
301	G	83.9	Confident	87.3	Confident	48 Å²	48	71.9 Å²	71.9	50%	0.495	39%	0.391	S	S	.	.			trans	68.9	7.8	-175.1	0	0	0	0	0	113.9	R297 H299 R303	R297-G301 WeakPolarHBondContact O-CA 3.42Å; R297-G301 PolarHBondContact O-N 3.44Å; R297-G301 VanDerWaalsContact O-N 3.12Å; H299-G301 PolarHBondContact O-N 2.99Å; G301-R303 WeakPolarHBondContact O-CG 3.21Å; G301-R303 PolarHBondContact O-N 3.09Å
302	E	86.7	Confident	87.3	Confident	112 Å²	112	73.6 Å²	73.6	52%	0.523	40%	0.397	S	S	.	.			trans	-60.6	124.6	-179.8	-78.3	-178	-175.4	0	0	111.6	R297 T300 P304	R297-E302 HydrophobicContact CB-CB 4.45Å; R297-E302 HydrophobicContact CG-CB 4.29Å; R297-E302 PolarHBondContact O-N 3.31Å; T300-E302 PolarHBondContact O-N 2.91Å; T300-E302 WeakPolarHBondContact OG1-CG 3.3Å; T300-E302 PolarHBondContact OG1-N 3.2Å; E302-P304 WeakPolarHBondContact O-CD 3.45Å
303	R	87.8	Confident	87.4	Confident	140 Å²	140	74.1 Å²	74.1	53%	0.528	40%	0.404	S	S	.	.			trans	-126.1	75.6	178.7	-67.7	169.3	82.1	149.6	2.3	110	G301 Y305 A313 F314	G301-R303 WeakPolarHBondContact O-CG 3.21Å; G301-R303 PolarHBondContact O-N 3.09Å; R303-Y305 PolarHBondContact O-N 2.9Å; R303-A313 HydrophobicContact CB-CB 3.42Å; R303-A313 VanDerWaalsContact CB-CB 3.42Å; R303-A313 HydrophobicContact CG-CB 4.41Å; R303-A313 PolarHBondContact NE-O 3.14Å; R303-A313 PolarHBondContact NH2-O 3.26Å; R303-F314 CarbonylContact C-O 3.57Å; R303-F314 VanDerWaalsContact CA-O 3.31Å; R303-F314 WeakPolarHBondContact CA-O 3.39Å
304	P	89.5	Confident	87.5	Confident	72 Å²	72	71.5 Å²	71.5	47%	0.468	39%	0.389	S	S	.	.			trans	-64.9	-16.1	-171.4	-22.7	34.6	0	0	0	114.7	E302	E302-P304 WeakPolarHBondContact O-CD 3.45Å
305	Y	91.3	Very high	87.5	Confident	82 Å²	82	70.9 Å²	70.9	32%	0.322	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	91.4	-172.9	-58.1	-75.6	0	0	0	110.5	R303 A313 F314 N315 S317	R303-Y305 PolarHBondContact O-N 2.9Å; Y305-A313 CarbonylContact O-C 3.51Å; Y305-A313 WeakPolarHBondContact O-CA 3.25Å; Y305-F314 WeakPolarHBondContact CB-O 3.31Å; Y305-F314 WeakPolarHBondContact CD2-O 3.5Å; Y305-F314 PolarHBondContact N-O 3.42Å; Y305-F314 VanDerWaalsContact N-O 3.08Å; Y305-F314 PolarHBondContact O-N 3.42Å; Y305-N315 WeakPolarHBondContact CD2-O 3.31Å; Y305-N315 WeakPolarHBondContact CE2-O 3.39Å; Y305-S317 VanDerWaalsContact CD2-N 3.34Å; Y305-S317 VanDerWaalsContact CE1-CB 3.5Å
306	V	89.7	Confident	87.3	Confident	80 Å²	80	72.5 Å²	72.5	49%	0.485	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	134.1	-178.4	-173.4	0	0	0	0	111.3	P308 A313	V306-P308 WeakPolarHBondContact O-CD 3.47Å; V306-A313 HydrophobicContact CG2-CB 4.02Å
307	C	91.8	Very high	87.3	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	40%	0.395	C	S	.	.			trans	-75.3	121.1	171.9	-174.7	0	0	0	0	110	L309 G311 K312 F314 L320	C307-L309 PolarHBondContact O-N 3.07Å; C307-G311 VanDerWaalsContact O-CA 3.27Å; C307-G311 WeakPolarHBondContact O-CA 3.35Å; C307-G311 PolarHBondContact O-N 3.45Å; C307-K312 WeakPolarHBondContact CB-O 3.38Å; C307-K312 PolarHBondContact N-O 2.8Å; C307-F314 HydrophobicContact CB-CE2 4.29Å; C307-L320 HydrophobicContact CB-CD1 3.61Å
308	P	87.3	Confident	87.2	Confident	105 Å²	105	72.6 Å²	72.6	68%	0.682	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-20.1	-179.1	27.3	-34.4	0	0	0	113.1	V306	V306-P308 WeakPolarHBondContact O-CD 3.47Å
309	L	86.3	Confident	87.2	Confident	115 Å²	115	70.2 Å²	70.2	60%	0.602	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-29.2	-175.1	-62.6	176	0	0	0	113.8	C307 H327	C307-L309 PolarHBondContact O-N 3.07Å; L309-H327 HydrophobicContact CD1-CB 3.42Å; L309-H327 VanDerWaalsContact CD1-CB 3.42Å
310	C	87.6	Confident	87.4	Confident	54 Å²	54	67.8 Å²	67.8	37%	0.365	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.5	6.8	-177.7	68.9	0	0	0	0	114.4	K312 H323 H327	C310-K312 PolarHBondContact O-N 3.14Å; C310-H323 PolarHBondContact SG-NE2 3.34Å; C310-H327 PolarHBondContact SG-NE2 3.03Å
311	G	85.3	Confident	87.4	Confident	54 Å²	54	71.6 Å²	71.6	56%	0.557	40%	0.395	S	S	*	.			trans	67.5	-1.3	-179.2	0	0	0	0	0	115	C307 A313	C307-G311 VanDerWaalsContact O-CA 3.27Å; C307-G311 WeakPolarHBondContact O-CA 3.35Å; C307-G311 PolarHBondContact O-N 3.45Å; G311-A313 PolarHBondContact O-N 3.39Å
312	K	86.9	Confident	87.5	Confident	108 Å²	108	71.3 Å²	71.3	47%	0.47	39%	0.386	S	S	.	.			trans	-67.3	122	-179.4	-72.7	-177.8	179.5	177.6	0	110.8	C307 C310 F314	C307-K312 WeakPolarHBondContact CB-O 3.38Å; C307-K312 PolarHBondContact N-O 2.8Å; C310-K312 PolarHBondContact O-N 3.14Å; K312-F314 HydrophobicContact CB-CE2 4Å; K312-F314 HydrophobicContact CB-CZ 4.05Å; K312-F314 WeakPolarHBondContact O-CD2 3.46Å; K312-F314 WeakPolarHBondContact O-CE2 3.26Å
313	A	90.5	Very high	87.5	Confident	25 Å²	25	67.3 Å²	67.3	21%	0.207	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	151.5	178.3	0	0	0	0	0	111.8	R303 Y305 V306 G311	R303-A313 HydrophobicContact CB-CB 3.42Å; R303-A313 VanDerWaalsContact CB-CB 3.42Å; R303-A313 HydrophobicContact CG-CB 4.41Å; R303-A313 PolarHBondContact NE-O 3.14Å; R303-A313 PolarHBondContact NH2-O 3.26Å; Y305-A313 CarbonylContact O-C 3.51Å; Y305-A313 WeakPolarHBondContact O-CA 3.25Å; V306-A313 HydrophobicContact CG2-CB 4.02Å; G311-A313 PolarHBondContact O-N 3.39Å
314	F	88.3	Confident	87.4	Confident	26 Å²	26	64 Å²	64	11%	0.114	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	151.2	177.1	-59.8	-86	0	0	0	110.7	R303 Y305 C307 K312 V319 L320 H323	R303-F314 CarbonylContact C-O 3.57Å; R303-F314 VanDerWaalsContact CA-O 3.31Å; R303-F314 WeakPolarHBondContact CA-O 3.39Å; Y305-F314 WeakPolarHBondContact CB-O 3.31Å; Y305-F314 WeakPolarHBondContact CD2-O 3.5Å; Y305-F314 PolarHBondContact N-O 3.42Å; Y305-F314 VanDerWaalsContact N-O 3.08Å; Y305-F314 PolarHBondContact O-N 3.42Å; C307-F314 HydrophobicContact CB-CE2 4.29Å; K312-F314 HydrophobicContact CB-CE2 4Å; K312-F314 HydrophobicContact CB-CZ 4.05Å; K312-F314 WeakPolarHBondContact O-CD2 3.46Å; K312-F314 WeakPolarHBondContact O-CE2 3.26Å; F314-V319 HydrophobicContact CD1-CB 4.3Å; F314-V319 HydrophobicContact CD1-CG1 3.49Å; F314-V319 VanDerWaalsContact CD1-CG1 3.49Å; F314-V319 HydrophobicContact CE1-CG1 4.02Å; F314-V319 HydrophobicContact CG-CG1 4.22Å; F314-L320 HydrophobicContact CB-CB 4.31Å; F314-L320 HydrophobicContact CD2-CB 3.81Å; F314-L320 HydrophobicContact CD2-CD1 3.72Å; F314-L320 HydrophobicContact CD2-CG 4.35Å; F314-L320 HydrophobicContact CE2-CD1 3.87Å; F314-L320 HydrophobicContact CG-CB 4.27Å; F314-H323 HydrophobicContact CE1-CB 4.12Å; F314-H323 HydrophobicContact CE2-CB 3.92Å; F314-H323 AromaticContact CE2-CD2 3.32Å; F314-H323 WeakPolarHBondContact CE2-CD2 3.38Å; F314-H323 AromaticContact CE2-CG 3.63Å; F314-H323 AromaticContact CE2-NE2 3.99Å; F314-H323 HydrophobicContact CZ-CB 3.54Å; F314-H323 AromaticContact CZ-CD2 3.35Å; F314-H323 WeakPolarHBondContact CZ-CD2 2.85Å; F314-H323 AromaticContact CZ-CG 3.22Å; F314-H323 AromaticContact CZ-ND1 3.71Å; F314-H323 AromaticContact CZ-NE2 3.85Å
315	N	86.4	Confident	87.3	Confident	54 Å²	54	63.3 Å²	63.3	29%	0.289	35%	0.346	S	S	.	.	S	Bend	trans	-76.9	-24.6	177.3	59.4	-2.2	0	0	0	112.6	R297 Y305	R297-N315 PolarHBondContact NH1-O 3.01Å; Y305-N315 WeakPolarHBondContact CD2-O 3.31Å; Y305-N315 WeakPolarHBondContact CE2-O 3.39Å
316	H	84.7	Confident	87	Confident	53 Å²	53	63.7 Å²	63.7	25%	0.245	36%	0.356	C	S	.	.	S	Bend	trans	-125.9	141.2	-179	-60.2	177.7	0	0	0	112.4	Q294 T318 V319 L320	Q294-H316 VanDerWaalsContact CD-NE2 3.3Å; Q294-H316 WeakPolarHBondContact CG-NE2 3.37Å; Q294-H316 PolarHBondContact NE2-CD2 2.75Å; Q294-H316 PolarHBondContact NE2-CE1 2.84Å; Q294-H316 PolarHBondContact NE2-ND1 3.17Å; Q294-H316 PolarHBondContact NE2-NE2 3.47Å; H316-T318 VanDerWaalsContact C-N 3.34Å; H316-T318 PolarHBondContact O-N 2.99Å; H316-V319 HydrophobicContact CB-CB 4.41Å; H316-V319 HydrophobicContact CB-CG2 3.95Å; H316-V319 PolarHBondContact O-N 3.1Å; H316-L320 PolarHBondContact O-N 2.89Å
317	S	86.9	Confident	86.7	Confident	51 Å²	51	63.6 Å²	63.6	36%	0.357	35%	0.35	S	S	.	.	H	α-helix	trans	-65	-33.5	177.2	58.2	0	0	0	0	113.8	Y305 V319 L320 R321	Y305-S317 VanDerWaalsContact CD2-N 3.34Å; Y305-S317 VanDerWaalsContact CE1-CB 3.5Å; S317-V319 VanDerWaalsContact C-N 3.31Å; S317-V319 PolarHBondContact O-N 3.12Å; S317-L320 PolarHBondContact O-N 3.21Å; S317-R321 PolarHBondContact O-N 3.41Å
318	T	85.1	Confident	86.3	Confident	84 Å²	84	67.5 Å²	67.5	52%	0.515	37%	0.374	S	S	.	.	H	α-helix	trans	-67.1	-33.8	178.4	52.4	0	0	0	0	112.2	H316 S322	H316-T318 VanDerWaalsContact C-N 3.34Å; H316-T318 PolarHBondContact O-N 2.99Å; T318-S322 WeakPolarHBondContact O-CB 3.48Å; T318-S322 PolarHBondContact O-N 3.37Å; T318-S322 PolarHBondContact O-OG 3.31Å
319	V	85.6	Confident	86	Confident	60 Å²	60	64.9 Å²	64.9	36%	0.364	37%	0.366	S	S	.	.	H	α-helix	trans	-72	-44.5	176.1	-178	0	0	0	0	109.7	F314 H316 S317 R321 S322 H323	F314-V319 HydrophobicContact CD1-CB 4.3Å; F314-V319 HydrophobicContact CD1-CG1 3.49Å; F314-V319 VanDerWaalsContact CD1-CG1 3.49Å; F314-V319 HydrophobicContact CE1-CG1 4.02Å; F314-V319 HydrophobicContact CG-CG1 4.22Å; H316-V319 HydrophobicContact CB-CB 4.41Å; H316-V319 HydrophobicContact CB-CG2 3.95Å; H316-V319 PolarHBondContact O-N 3.1Å; S317-V319 VanDerWaalsContact C-N 3.31Å; S317-V319 PolarHBondContact O-N 3.12Å; V319-R321 PolarHBondContact O-N 2.79Å; V319-S322 PolarHBondContact O-N 3.31Å; V319-H323 WeakPolarHBondContact O-CB 2.87Å; V319-H323 PolarHBondContact O-N 3.41Å
320	L	89.1	Confident	85.8	Confident	21 Å²	21	64.9 Å²	64.9	11%	0.11	36%	0.363	C	S	.	.	H	α-helix	trans	-56.2	-48.6	172.6	171.2	60.6	0	0	0	111.5	C307 F314 H316 S317 S322 H323 Q324	C307-L320 HydrophobicContact CB-CD1 3.61Å; F314-L320 HydrophobicContact CB-CB 4.31Å; F314-L320 HydrophobicContact CD2-CB 3.81Å; F314-L320 HydrophobicContact CD2-CD1 3.72Å; F314-L320 HydrophobicContact CD2-CG 4.35Å; F314-L320 HydrophobicContact CE2-CD1 3.87Å; F314-L320 HydrophobicContact CG-CB 4.27Å; H316-L320 PolarHBondContact O-N 2.89Å; S317-L320 PolarHBondContact O-N 3.21Å; L320-S322 VanDerWaalsContact C-N 3.28Å; L320-S322 PolarHBondContact O-N 3.48Å; L320-H323 CarbonylContact O-C 3.56Å; L320-H323 WeakPolarHBondContact O-CA 3.34Å; L320-H323 WeakPolarHBondContact O-CB 3.48Å; L320-H323 PolarHBondContact O-N 3.08Å; L320-Q324 HydrophobicContact CD1-CG 4.16Å; L320-Q324 WeakPolarHBondContact O-CG 3.43Å; L320-Q324 PolarHBondContact O-N 2.99Å
321	R	85.8	Confident	85.7	Confident	159 Å²	159	67.7 Å²	67.7	60%	0.6	37%	0.369	S	S	*	.	H	α-helix	trans	-58.7	-40.6	177.9	-172.9	-174.9	-58.3	176.5	1.3	112.4	S317 V319 H323	S317-R321 PolarHBondContact O-N 3.41Å; V319-R321 PolarHBondContact O-N 2.79Å; R321-H323 VanDerWaalsContact C-N 3.34Å
322	S	84.6	Confident	85.7	Confident	43 Å²	43	68.7 Å²	68.7	30%	0.301	37%	0.366	S	S	.	.	H	α-helix	trans	-69.6	-35.6	176.9	-55.5	0	0	0	0	111.4	T318 V319 L320 R325	T318-S322 WeakPolarHBondContact O-CB 3.48Å; T318-S322 PolarHBondContact O-N 3.37Å; T318-S322 PolarHBondContact O-OG 3.31Å; V319-S322 PolarHBondContact O-N 3.31Å; L320-S322 VanDerWaalsContact C-N 3.28Å; L320-S322 PolarHBondContact O-N 3.48Å; S322-R325 WeakPolarHBondContact O-CB 3.42Å; S322-R325 PolarHBondContact O-N 3.47Å
323	H	87.1	Confident	85.8	Confident	28 Å²	28	66 Å²	66	13%	0.13	36%	0.355	C	S	.	.	H	α-helix	trans	-68.5	-37.5	176.2	169.7	69.7	0	0	0	112.8	C310 F314 V319 L320 R321 R325 V326 H327	C310-H323 PolarHBondContact SG-NE2 3.34Å; F314-H323 HydrophobicContact CE1-CB 4.12Å; F314-H323 HydrophobicContact CE2-CB 3.92Å; F314-H323 AromaticContact CE2-CD2 3.32Å; F314-H323 WeakPolarHBondContact CE2-CD2 3.38Å; F314-H323 AromaticContact CE2-CG 3.63Å; F314-H323 AromaticContact CE2-NE2 3.99Å; F314-H323 HydrophobicContact CZ-CB 3.54Å; F314-H323 AromaticContact CZ-CD2 3.35Å; F314-H323 WeakPolarHBondContact CZ-CD2 2.85Å; F314-H323 AromaticContact CZ-CG 3.22Å; F314-H323 AromaticContact CZ-ND1 3.71Å; F314-H323 AromaticContact CZ-NE2 3.85Å; V319-H323 WeakPolarHBondContact O-CB 2.87Å; V319-H323 PolarHBondContact O-N 3.41Å; L320-H323 CarbonylContact O-C 3.56Å; L320-H323 WeakPolarHBondContact O-CA 3.34Å; L320-H323 WeakPolarHBondContact O-CB 3.48Å; L320-H323 PolarHBondContact O-N 3.08Å; R321-H323 VanDerWaalsContact C-N 3.34Å; H323-R325 PolarHBondContact O-N 3.39Å; H323-R325 VanDerWaalsContact O-N 3.07Å; H323-V326 WeakPolarHBondContact O-CB 3.46Å; H323-V326 WeakPolarHBondContact O-CG2 3.19Å; H323-V326 PolarHBondContact O-N 3.49Å; H323-H327 AromaticContact CE1-NE2 3.78Å; H323-H327 AromaticContact NE2-NE2 3.32Å; H323-H327 PolarHBondContact NE2-NE2 3.26Å
324	Q	85.4	Confident	85.7	Confident	71 Å²	71	72.7 Å²	72.7	33%	0.332	38%	0.375	S	S	.	.	H	α-helix	trans	-55.6	-28.5	176.6	-75.7	174.5	-47.3	0	0	112.7	L320 V326 H327 T328	L320-Q324 HydrophobicContact CD1-CG 4.16Å; L320-Q324 WeakPolarHBondContact O-CG 3.43Å; L320-Q324 PolarHBondContact O-N 2.99Å; Q324-V326 PolarHBondContact O-N 3.18Å; Q324-H327 PolarHBondContact O-N 3.3Å; Q324-T328 PolarHBondContact O-N 3.05Å
325	R	86.9	Confident	85.9	Confident	57 Å²	57	71.5 Å²	71.5	22%	0.215	37%	0.369	C	S	.	.	H	α-helix	trans	-63.1	-20.9	174.1	-60.7	177.9	-176.2	176.6	-3.4	114	S322 H323 H327 T328 G329 E330 S343	S322-R325 WeakPolarHBondContact O-CB 3.42Å; S322-R325 PolarHBondContact O-N 3.47Å; H323-R325 PolarHBondContact O-N 3.39Å; H323-R325 VanDerWaalsContact O-N 3.07Å; R325-H327 VanDerWaalsContact C-N 3.29Å; R325-T328 WeakPolarHBondContact CA-OG1 3.39Å; R325-G329 WeakPolarHBondContact O-CA 3.35Å; R325-G329 PolarHBondContact O-N 3.26Å; R325-E330 HydrophobicContact CG-CB 4.47Å; R325-E330 PolarHBondContact O-N 3.32Å; R325-S343 WeakPolarHBondContact CD-O 3.32Å; R325-S343 PolarHBondContact NH1-O 3.2Å
326	V	85.1	Confident	86	Confident	90 Å²	90	76 Å²	76	55%	0.545	39%	0.393	S	S	.	.	H	α-helix	trans	-67.9	-34.5	174	-180	0	0	0	0	110.5	H323 Q324	H323-V326 WeakPolarHBondContact O-CB 3.46Å; H323-V326 WeakPolarHBondContact O-CG2 3.19Å; H323-V326 PolarHBondContact O-N 3.49Å; Q324-V326 PolarHBondContact O-N 3.18Å
327	H	84.3	Confident	86.2	Confident	77 Å²	77	79.3 Å²	79.3	36%	0.356	41%	0.409	S	S	.	.	H	α-helix	trans	-80.9	-38.9	179	-61.7	-62.5	0	0	0	112.6	L309 C310 H323 Q324 R325 G329	L309-H327 HydrophobicContact CD1-CB 3.42Å; L309-H327 VanDerWaalsContact CD1-CB 3.42Å; C310-H327 PolarHBondContact SG-NE2 3.03Å; H323-H327 AromaticContact CE1-NE2 3.78Å; H323-H327 AromaticContact NE2-NE2 3.32Å; H323-H327 PolarHBondContact NE2-NE2 3.26Å; Q324-H327 PolarHBondContact O-N 3.3Å; R325-H327 VanDerWaalsContact C-N 3.29Å; H327-G329 VanDerWaalsContact C-N 3.33Å
328	T	83.1	Confident	86.2	Confident	83 Å²	83	79.5 Å²	79.5	51%	0.509	41%	0.41	S	S	.	.	H	α-helix	trans	-82.2	-13.8	-179.8	62	0	0	0	0	113.1	Q324 R325 E330	Q324-T328 PolarHBondContact O-N 3.05Å; R325-T328 WeakPolarHBondContact CA-OG1 3.39Å; T328-E330 PolarHBondContact O-N 2.81Å; T328-E330 WeakPolarHBondContact OG1-CB 3.47Å; T328-E330 WeakPolarHBondContact OG1-CG 3.49Å; T328-E330 PolarHBondContact OG1-N 3.28Å
329	G	81.4	Confident	86.2	Confident	49 Å²	49	76.9 Å²	76.9	51%	0.505	40%	0.399	S	S	.	.			trans	69.4	3.9	-172.9	0	0	0	0	0	113.9	R325 H327 K331	R325-G329 WeakPolarHBondContact O-CA 3.35Å; R325-G329 PolarHBondContact O-N 3.26Å; H327-G329 VanDerWaalsContact C-N 3.33Å; G329-K331 PolarHBondContact O-N 3.48Å
330	E	82.1	Confident	86.2	Confident	115 Å²	115	79.1 Å²	79.1	54%	0.537	40%	0.404	S	S	.	.			trans	-62	120.2	-179.2	-75.7	-178.1	-179.9	0	0	111.1	R325 T328 P332	R325-E330 HydrophobicContact CG-CB 4.47Å; R325-E330 PolarHBondContact O-N 3.32Å; T328-E330 PolarHBondContact O-N 2.81Å; T328-E330 WeakPolarHBondContact OG1-CB 3.47Å; T328-E330 WeakPolarHBondContact OG1-CG 3.49Å; T328-E330 PolarHBondContact OG1-N 3.28Å; E330-P332 WeakPolarHBondContact O-CD 3.35Å
331	K	85.3	Confident	86.1	Confident	114 Å²	114	81 Å²	81	50%	0.496	42%	0.416	S	S	.	.			trans	-123.5	76.8	176.5	-69.4	173.8	178.1	-176.2	0	109.9	G329 H333 T341 F342	G329-K331 PolarHBondContact O-N 3.48Å; K331-H333 PolarHBondContact O-N 3.16Å; K331-T341 VanDerWaalsContact CB-CB 3.48Å; K331-T341 WeakPolarHBondContact CB-OG1 3.3Å; K331-T341 WeakPolarHBondContact CD-O 3.45Å; K331-T341 VanDerWaalsContact CD-OG1 3.27Å; K331-T341 WeakPolarHBondContact CD-OG1 3.36Å; K331-F342 CarbonylContact C-O 3.42Å; K331-F342 VanDerWaalsContact C-O 3.27Å; K331-F342 WeakPolarHBondContact CA-O 3.43Å
332	P	86.1	Confident	86.1	Confident	75 Å²	75	75.2 Å²	75.2	49%	0.487	40%	0.396	S	S	.	.			trans	-65.1	-15.4	-170.2	-22.2	34.2	0	0	0	114.5	E330	E330-P332 WeakPolarHBondContact O-CD 3.35Å
333	H	88.1	Confident	86.1	Confident	50 Å²	50	75 Å²	75	23%	0.231	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	97.1	-172.9	-56.6	-63	0	0	0	110	K331 T341 F342 K345 L348	K331-H333 PolarHBondContact O-N 3.16Å; H333-T341 CarbonylContact O-C 3.57Å; H333-T341 WeakPolarHBondContact O-CA 3.45Å; H333-F342 HydrophobicContact CB-CB 4.29Å; H333-F342 WeakPolarHBondContact CB-O 3.38Å; H333-F342 PolarHBondContact N-O 2.78Å; H333-F342 VanDerWaalsContact N-O 3.11Å; H333-F342 PolarHBondContact O-N 3.43Å; H333-K345 PolarHBondContact CD2-N 2.93Å; H333-K345 PolarHBondContact NE2-N 3.45Å; H333-L348 HydrophobicContact CB-CB 4.13Å; H333-L348 HydrophobicContact CB-CD2 3.78Å
334	R	88.6	Confident	86	Confident	167 Å²	167	75.8 Å²	75.8	63%	0.63	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.3	136.9	178.1	-173.8	173.6	-179.7	-179.1	-0.5	111.5	T341	R334-T341 HydrophobicContact CB-CG2 4.09Å; R334-T341 HydrophobicContact CG-CG2 4.05Å
335	C	91.5	Very high	86	Confident	0 Å²	0	78.6 Å²	78.6	0%	0	41%	0.412	C	S	.	.			trans	-79.2	126.9	164.8	-178.8	0	0	0	0	109.1	E337 G339 K340 F342 L348	C335-E337 VanDerWaalsContact C-N 3.29Å; C335-E337 PolarHBondContact O-N 2.81Å; C335-G339 WeakPolarHBondContact O-CA 3.37Å; C335-G339 PolarHBondContact O-N 3.18Å; C335-K340 WeakPolarHBondContact CB-O 3.44Å; C335-K340 PolarHBondContact N-O 3.31Å; C335-F342 HydrophobicContact CB-CE2 4.28Å; C335-L348 HydrophobicContact CB-CD1 3.63Å
336	N	89.6	Confident	85.9	Confident	149 Å²	149	84 Å²	84	80%	0.797	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-21.9	-178.5	-66.8	-16.4	0	0	0	112.8
337	E	87.9	Confident	85.9	Confident	123 Å²	123	81.7 Å²	81.7	58%	0.575	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-48.1	-174.3	-63.1	-175.3	-134	0	0	113.1	C335 H355	C335-E337 VanDerWaalsContact C-N 3.29Å; C335-E337 PolarHBondContact O-N 2.81Å; E337-H355 WeakPolarHBondContact OE2-CB 3.21Å; E337-H355 IonicContact OE2-CD2 3.86Å; E337-H355 IonicContact OE2-CG 3.33Å; E337-H355 IonicContact OE2-ND1 2.81Å
338	C	88.2	Confident	86.2	Confident	55 Å²	55	78.8 Å²	78.8	37%	0.372	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	0.9	179	66.3	0	0	0	0	114.3	K340 H351 H355	C338-K340 PolarHBondContact O-N 3.04Å; C338-K340 VanDerWaalsContact SG-CB 3.6Å; C338-K340 VanDerWaalsContact SG-CG 3.6Å; C338-H351 PolarHBondContact SG-NE2 3.5Å; C338-H355 PolarHBondContact SG-NE2 2.89Å; C338-H355 VanDerWaalsContact SG-NE2 3.37Å
339	G	84.9	Confident	86.4	Confident	28 Å²	28	79 Å²	79	29%	0.289	40%	0.403	S	S	.	.			trans	71.5	-5.5	-178.5	0	0	0	0	0	115.4	C335 T341	C335-G339 WeakPolarHBondContact O-CA 3.37Å; C335-G339 PolarHBondContact O-N 3.18Å; G339-T341 PolarHBondContact O-N 2.99Å
340	K	85.2	Confident	86.6	Confident	107 Å²	107	79.1 Å²	79.1	47%	0.465	39%	0.39	S	S	.	.			trans	-60.5	137.1	179.5	-72.1	-175.6	177.5	-171.7	0	111.1	C335 C338 F342	C335-K340 WeakPolarHBondContact CB-O 3.44Å; C335-K340 PolarHBondContact N-O 3.31Å; C338-K340 PolarHBondContact O-N 3.04Å; C338-K340 VanDerWaalsContact SG-CB 3.6Å; C338-K340 VanDerWaalsContact SG-CG 3.6Å; K340-F342 HydrophobicContact CB-CE2 3.95Å; K340-F342 HydrophobicContact CB-CZ 4.04Å; K340-F342 WeakPolarHBondContact O-CE2 3.27Å
341	T	87.3	Confident	86.9	Confident	60 Å²	60	74.8 Å²	74.8	37%	0.368	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	147.5	-177.9	58.9	0	0	0	0	111.4	K331 H333 R334 G339	K331-T341 VanDerWaalsContact CB-CB 3.48Å; K331-T341 WeakPolarHBondContact CB-OG1 3.3Å; K331-T341 WeakPolarHBondContact CD-O 3.45Å; K331-T341 VanDerWaalsContact CD-OG1 3.27Å; K331-T341 WeakPolarHBondContact CD-OG1 3.36Å; H333-T341 CarbonylContact O-C 3.57Å; H333-T341 WeakPolarHBondContact O-CA 3.45Å; R334-T341 HydrophobicContact CB-CG2 4.09Å; R334-T341 HydrophobicContact CG-CG2 4.05Å; G339-T341 PolarHBondContact O-N 2.99Å
342	F	86.1	Confident	87	Confident	39 Å²	39	72.2 Å²	72.2	17%	0.171	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	143.7	-176	-59.6	-88.8	0	0	0	111.2	K331 H333 C335 K340 V344 L348 H351	K331-F342 CarbonylContact C-O 3.42Å; K331-F342 VanDerWaalsContact C-O 3.27Å; K331-F342 WeakPolarHBondContact CA-O 3.43Å; H333-F342 HydrophobicContact CB-CB 4.29Å; H333-F342 WeakPolarHBondContact CB-O 3.38Å; H333-F342 PolarHBondContact N-O 2.78Å; H333-F342 VanDerWaalsContact N-O 3.11Å; H333-F342 PolarHBondContact O-N 3.43Å; C335-F342 HydrophobicContact CB-CE2 4.28Å; K340-F342 HydrophobicContact CB-CE2 3.95Å; K340-F342 HydrophobicContact CB-CZ 4.04Å; K340-F342 WeakPolarHBondContact O-CE2 3.27Å; F342-V344 VanDerWaalsContact C-N 3.33Å; F342-L348 HydrophobicContact CB-CB 4.15Å; F342-L348 HydrophobicContact CD2-CB 3.79Å; F342-L348 HydrophobicContact CD2-CD1 3.63Å; F342-L348 HydrophobicContact CD2-CG 4.29Å; F342-L348 HydrophobicContact CE2-CD1 3.8Å; F342-L348 HydrophobicContact CG-CB 4.08Å; F342-H351 HydrophobicContact CE1-CB 3.88Å; F342-H351 HydrophobicContact CE2-CB 3.99Å; F342-H351 AromaticContact CE2-CD2 3.43Å; F342-H351 VanDerWaalsContact CE2-CD2 3.43Å; F342-H351 WeakPolarHBondContact CE2-CD2 3.49Å; F342-H351 AromaticContact CE2-CG 3.71Å; F342-H351 HydrophobicContact CZ-CB 3.45Å; F342-H351 VanDerWaalsContact CZ-CB 3.45Å; F342-H351 AromaticContact CZ-CD2 3.37Å; F342-H351 WeakPolarHBondContact CZ-CD2 3.38Å; F342-H351 AromaticContact CZ-CG 3.17Å; F342-H351 AromaticContact CZ-ND1 3.66Å; F342-H351 AromaticContact CZ-NE2 3.9Å
343	S	84.4	Confident	87.1	Confident	38 Å²	38	71.6 Å²	71.6	27%	0.266	35%	0.348	S	S	.	.	S	Bend	trans	-77	-19.1	177.2	58.4	0	0	0	0	112.8	R325	R325-S343 WeakPolarHBondContact CD-O 3.32Å; R325-S343 PolarHBondContact NH1-O 3.2Å
344	V	84.1	Confident	87	Confident	44 Å²	44	74.9 Å²	74.9	27%	0.267	37%	0.366	S	S	.	.	S	Bend	trans	-132.6	135.4	-178.4	-176.7	0	0	0	0	110.8	F342 R346 T347 L348	F342-V344 VanDerWaalsContact C-N 3.33Å; V344-R346 VanDerWaalsContact C-N 3.28Å; V344-R346 HydrophobicContact CG1-CB 4.16Å; V344-R346 PolarHBondContact O-N 3.3Å; V344-T347 HydrophobicContact CB-CG2 4.46Å; V344-T347 PolarHBondContact O-N 3.42Å; V344-T347 VanDerWaalsContact O-N 3.17Å; V344-T347 PolarHBondContact O-OG1 3.04Å; V344-L348 PolarHBondContact O-N 3.4Å
345	K	85.3	Confident	87	Confident	131 Å²	131	70.2 Å²	70.2	57%	0.57	35%	0.351	S	S	*	.	H	α-helix	trans	-57.7	-39.1	-179.6	-173.6	175.3	-179.5	177.2	0	113	H333 T347 L348 L349	H333-K345 PolarHBondContact CD2-N 2.93Å; H333-K345 PolarHBondContact NE2-N 3.45Å; K345-T347 VanDerWaalsContact C-N 3.31Å; K345-T347 PolarHBondContact O-N 2.89Å; K345-L348 WeakPolarHBondContact O-CB 3.39Å; K345-L348 PolarHBondContact O-N 2.91Å; K345-L349 HydrophobicContact CG-CD1 4.44Å; K345-L349 HydrophobicContact CG-CG 4.48Å; K345-L349 WeakPolarHBondContact O-CG 3.38Å; K345-L349 PolarHBondContact O-N 3Å
346	R	85.1	Confident	86.7	Confident	171 Å²	171	73.9 Å²	73.9	65%	0.645	37%	0.374	S	S	*	.	H	α-helix	trans	-57.7	-41.4	178.2	-179.6	178.5	59.1	83.2	0.6	112.4	V344 L349 Q350	V344-R346 VanDerWaalsContact C-N 3.28Å; V344-R346 HydrophobicContact CG1-CB 4.16Å; V344-R346 PolarHBondContact O-N 3.3Å; R346-L349 PolarHBondContact O-N 2.82Å; R346-Q350 PolarHBondContact O-N 2.94Å
347	T	85.7	Confident	86.5	Confident	40 Å²	40	69 Å²	69	25%	0.245	36%	0.359	C	S	.	.	H	α-helix	trans	-72.3	-33.2	-179.9	55.8	0	0	0	0	111.4	V344 K345 Q350 H351	V344-T347 HydrophobicContact CB-CG2 4.46Å; V344-T347 PolarHBondContact O-N 3.42Å; V344-T347 VanDerWaalsContact O-N 3.17Å; V344-T347 PolarHBondContact O-OG1 3.04Å; K345-T347 VanDerWaalsContact C-N 3.31Å; K345-T347 PolarHBondContact O-N 2.89Å; T347-Q350 PolarHBondContact O-N 3.09Å; T347-H351 VanDerWaalsContact O-CB 3.28Å; T347-H351 WeakPolarHBondContact O-CB 3.37Å; T347-H351 PolarHBondContact O-N 2.88Å
348	L	89.5	Confident	86.4	Confident	17 Å²	17	68.6 Å²	68.6	9%	0.089	36%	0.357	C	S	.	.	H	α-helix	trans	-61.6	-49.3	169.8	170.9	63.5	0	0	0	111.4	H333 C335 F342 V344 K345 Q350 H351 Q352	H333-L348 HydrophobicContact CB-CB 4.13Å; H333-L348 HydrophobicContact CB-CD2 3.78Å; C335-L348 HydrophobicContact CB-CD1 3.63Å; F342-L348 HydrophobicContact CB-CB 4.15Å; F342-L348 HydrophobicContact CD2-CB 3.79Å; F342-L348 HydrophobicContact CD2-CD1 3.63Å; F342-L348 HydrophobicContact CD2-CG 4.29Å; F342-L348 HydrophobicContact CE2-CD1 3.8Å; F342-L348 HydrophobicContact CG-CB 4.08Å; V344-L348 PolarHBondContact O-N 3.4Å; K345-L348 WeakPolarHBondContact O-CB 3.39Å; K345-L348 PolarHBondContact O-N 2.91Å; L348-Q350 VanDerWaalsContact C-N 3.26Å; L348-Q350 PolarHBondContact O-N 3.14Å; L348-H351 WeakPolarHBondContact O-CB 3.38Å; L348-H351 PolarHBondContact O-N 3.04Å; L348-H351 VanDerWaalsContact O-N 3.08Å; L348-Q352 HydrophobicContact CD1-CG 4.14Å; L348-Q352 WeakPolarHBondContact O-CG 3.43Å; L348-Q352 PolarHBondContact O-N 3.4Å
349	L	87.4	Confident	86.5	Confident	87 Å²	87	71.4 Å²	71.4	46%	0.455	36%	0.363	S	S	.	.	H	α-helix	trans	-60.1	-38.7	179.2	-68.7	175	0	0	0	111.8	K345 R346	K345-L349 HydrophobicContact CG-CD1 4.44Å; K345-L349 HydrophobicContact CG-CG 4.48Å; K345-L349 WeakPolarHBondContact O-CG 3.38Å; K345-L349 PolarHBondContact O-N 3Å; R346-L349 PolarHBondContact O-N 2.82Å
350	Q	86.4	Confident	86.7	Confident	52 Å²	52	73.4 Å²	73.4	24%	0.243	37%	0.37	C	S	.	.	H	α-helix	trans	-65.8	-42.6	174	-179.5	175.9	15.3	0	0	111.8	R346 T347 L348 R353 D372	R346-Q350 PolarHBondContact O-N 2.94Å; T347-Q350 PolarHBondContact O-N 3.09Å; L348-Q350 VanDerWaalsContact C-N 3.26Å; L348-Q350 PolarHBondContact O-N 3.14Å; Q350-R353 WeakPolarHBondContact O-CB 3.27Å; Q350-R353 PolarHBondContact O-N 3.45Å; Q350-D372 VanDerWaalsContact NE2-CB 3.29Å; Q350-D372 PolarHBondContact NE2-OD2 3.23Å
351	H	87.9	Confident	87	Confident	23 Å²	23	71.8 Å²	71.8	11%	0.106	36%	0.362	C	S	.	.	H	α-helix	trans	-64.4	-38.1	177.9	168.9	73.8	0	0	0	112.5	C338 F342 T347 L348 R353 I354 H355	C338-H351 PolarHBondContact SG-NE2 3.5Å; F342-H351 HydrophobicContact CE1-CB 3.88Å; F342-H351 HydrophobicContact CE2-CB 3.99Å; F342-H351 AromaticContact CE2-CD2 3.43Å; F342-H351 VanDerWaalsContact CE2-CD2 3.43Å; F342-H351 WeakPolarHBondContact CE2-CD2 3.49Å; F342-H351 AromaticContact CE2-CG 3.71Å; F342-H351 HydrophobicContact CZ-CB 3.45Å; F342-H351 VanDerWaalsContact CZ-CB 3.45Å; F342-H351 AromaticContact CZ-CD2 3.37Å; F342-H351 WeakPolarHBondContact CZ-CD2 3.38Å; F342-H351 AromaticContact CZ-CG 3.17Å; F342-H351 AromaticContact CZ-ND1 3.66Å; F342-H351 AromaticContact CZ-NE2 3.9Å; T347-H351 VanDerWaalsContact O-CB 3.28Å; T347-H351 WeakPolarHBondContact O-CB 3.37Å; T347-H351 PolarHBondContact O-N 2.88Å; L348-H351 WeakPolarHBondContact O-CB 3.38Å; L348-H351 PolarHBondContact O-N 3.04Å; L348-H351 VanDerWaalsContact O-N 3.08Å; H351-R353 PolarHBondContact O-N 3.2Å; H351-R353 VanDerWaalsContact O-N 3.1Å; H351-I354 VanDerWaalsContact O-CB 3.25Å; H351-I354 WeakPolarHBondContact O-CB 3.37Å; H351-I354 WeakPolarHBondContact O-CG1 3.47Å; H351-I354 PolarHBondContact O-N 3.45Å; H351-H355 AromaticContact CE1-NE2 3.95Å; H351-H355 AromaticContact NE2-NE2 3.43Å; H351-H355 PolarHBondContact NE2-NE2 3.06Å
352	Q	87.9	Confident	87.1	Confident	61 Å²	61	73.3 Å²	73.3	29%	0.285	37%	0.371	S	S	.	.	H	α-helix	trans	-57.6	-26.2	176.8	-76.1	176.5	-45.6	0	0	113	L348 I354 H355 T356	L348-Q352 HydrophobicContact CD1-CG 4.14Å; L348-Q352 WeakPolarHBondContact O-CG 3.43Å; L348-Q352 PolarHBondContact O-N 3.4Å; Q352-I354 PolarHBondContact O-N 3.22Å; Q352-H355 WeakPolarHBondContact O-CB 3.43Å; Q352-H355 PolarHBondContact O-N 2.85Å; Q352-T356 PolarHBondContact O-N 3.09Å; Q352-T356 VanDerWaalsContact O-N 3.17Å
353	R	89.1	Confident	87.4	Confident	62 Å²	62	71.5 Å²	71.5	23%	0.234	36%	0.364	C	S	.	.	H	α-helix	trans	-63.8	-20.9	174.1	-61.1	179.5	-176.7	169.6	-1.9	113.9	Q350 H351 H355 T356 G357 E358 S371	Q350-R353 WeakPolarHBondContact O-CB 3.27Å; Q350-R353 PolarHBondContact O-N 3.45Å; H351-R353 PolarHBondContact O-N 3.2Å; H351-R353 VanDerWaalsContact O-N 3.1Å; R353-H355 VanDerWaalsContact C-N 3.28Å; R353-T356 WeakPolarHBondContact CA-OG1 3.48Å; R353-G357 CarbonylContact O-C 3.5Å; R353-G357 WeakPolarHBondContact O-CA 3.48Å; R353-G357 PolarHBondContact O-N 3.45Å; R353-E358 HydrophobicContact CB-CB 4.48Å; R353-E358 HydrophobicContact CG-CB 4.4Å; R353-E358 PolarHBondContact O-N 3.07Å; R353-S371 PolarHBondContact NH1-O 3.4Å
354	I	85.8	Confident	87.7	Confident	118 Å²	118	75 Å²	75	61%	0.605	39%	0.387	S	S	*	.	H	α-helix	trans	-67.9	-36.5	174.5	-59.3	175.8	0	0	0	109.9	H351 Q352	H351-I354 VanDerWaalsContact O-CB 3.25Å; H351-I354 WeakPolarHBondContact O-CB 3.37Å; H351-I354 WeakPolarHBondContact O-CG1 3.47Å; H351-I354 PolarHBondContact O-N 3.45Å; Q352-I354 PolarHBondContact O-N 3.22Å
355	H	87.3	Confident	87.9	Confident	69 Å²	69	78 Å²	78	32%	0.319	40%	0.399	S	S	.	.	H	α-helix	trans	-77.4	-45.5	179.9	-68.1	-60.4	0	0	0	112.6	E337 C338 H351 Q352 R353 G357	E337-H355 WeakPolarHBondContact OE2-CB 3.21Å; E337-H355 IonicContact OE2-CD2 3.86Å; E337-H355 IonicContact OE2-CG 3.33Å; E337-H355 IonicContact OE2-ND1 2.81Å; C338-H355 PolarHBondContact SG-NE2 2.89Å; C338-H355 VanDerWaalsContact SG-NE2 3.37Å; H351-H355 AromaticContact CE1-NE2 3.95Å; H351-H355 AromaticContact NE2-NE2 3.43Å; H351-H355 PolarHBondContact NE2-NE2 3.06Å; Q352-H355 WeakPolarHBondContact O-CB 3.43Å; Q352-H355 PolarHBondContact O-N 2.85Å; R353-H355 VanDerWaalsContact C-N 3.28Å; H355-G357 PolarHBondContact O-N 3.15Å
356	T	85.7	Confident	88.2	Confident	78 Å²	78	74.2 Å²	74.2	48%	0.479	39%	0.388	S	S	.	.	H	α-helix	trans	-75.7	-14.8	179.4	62.5	0	0	0	0	112.9	Q352 R353 E358	Q352-T356 PolarHBondContact O-N 3.09Å; Q352-T356 VanDerWaalsContact O-N 3.17Å; R353-T356 WeakPolarHBondContact CA-OG1 3.48Å; T356-E358 PolarHBondContact O-N 2.81Å; T356-E358 WeakPolarHBondContact OG1-CB 3.35Å; T356-E358 WeakPolarHBondContact OG1-CG 3.32Å; T356-E358 PolarHBondContact OG1-N 2.86Å
357	G	84.9	Confident	88.3	Confident	47 Å²	47	68.8 Å²	68.8	49%	0.485	39%	0.386	S	S	.	.			trans	69.7	6	-173.3	0	0	0	0	0	113.8	R353 H355 K359	R353-G357 CarbonylContact O-C 3.5Å; R353-G357 WeakPolarHBondContact O-CA 3.48Å; R353-G357 PolarHBondContact O-N 3.45Å; H355-G357 PolarHBondContact O-N 3.15Å; G357-K359 PolarHBondContact O-N 3.18Å
358	E	86.8	Confident	88.4	Confident	114 Å²	114	73 Å²	73	53%	0.533	40%	0.401	S	S	.	.			trans	-61.3	123.3	-179.9	-76.8	-178.2	-178.8	0	0	111.1	R353 T356 P360	R353-E358 HydrophobicContact CB-CB 4.48Å; R353-E358 HydrophobicContact CG-CB 4.4Å; R353-E358 PolarHBondContact O-N 3.07Å; T356-E358 PolarHBondContact O-N 2.81Å; T356-E358 WeakPolarHBondContact OG1-CB 3.35Å; T356-E358 WeakPolarHBondContact OG1-CG 3.32Å; T356-E358 PolarHBondContact OG1-N 2.86Å; E358-P360 WeakPolarHBondContact O-CD 3.21Å
359	K	89	Confident	88.4	Confident	114 Å²	114	73.9 Å²	73.9	50%	0.496	41%	0.41	S	S	.	.			trans	-125	77.6	177.1	-70.7	169.3	174.4	-170.8	0	109.6	G357 Y361 A369 F370	G357-K359 PolarHBondContact O-N 3.18Å; K359-Y361 PolarHBondContact O-N 3.48Å; K359-Y361 VanDerWaalsContact O-N 3.11Å; K359-A369 HydrophobicContact CB-CB 3.46Å; K359-A369 VanDerWaalsContact CB-CB 3.46Å; K359-A369 HydrophobicContact CD-CB 4.11Å; K359-A369 WeakPolarHBondContact CD-O 3.33Å; K359-A369 HydrophobicContact CG-CB 4.4Å; K359-F370 CarbonylContact C-O 3.12Å; K359-F370 VanDerWaalsContact C-O 3.29Å; K359-F370 WeakPolarHBondContact CA-O 3.34Å
360	P	89.7	Confident	88.5	Confident	69 Å²	69	71.5 Å²	71.5	45%	0.448	40%	0.396	S	S	.	.			trans	-67.1	-14.1	-170.9	-21.2	34.2	0	0	0	114.4	E358	E358-P360 WeakPolarHBondContact O-CD 3.21Å
361	Y	91.2	Very high	88.4	Confident	73 Å²	73	70.9 Å²	70.9	29%	0.286	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	100.4	-173.7	-53.5	-70.3	0	0	0	109.8	K359 A369 F370 R373	K359-Y361 PolarHBondContact O-N 3.48Å; K359-Y361 VanDerWaalsContact O-N 3.11Å; Y361-A369 CarbonylContact O-C 3.41Å; Y361-A369 WeakPolarHBondContact O-CA 3.42Å; Y361-F370 PolarHBondContact N-O 2.74Å; Y361-F370 PolarHBondContact O-N 2.67Å; Y361-R373 HydrophobicContact CD1-CB 4.02Å; Y361-R373 HydrophobicContact CD1-CG 4.43Å; Y361-R373 HydrophobicContact CD2-CB 4.33Å; Y361-R373 VanDerWaalsContact CD2-N 3.26Å; Y361-R373 HydrophobicContact CE1-CB 3.87Å; Y361-R373 HydrophobicContact CE1-CG 4.44Å; Y361-R373 HydrophobicContact CE2-CB 4.15Å; Y361-R373 VanDerWaalsContact CE2-N 3.34Å; Y361-R373 HydrophobicContact CG-CB 4.25Å
362	T	88.9	Confident	88.3	Confident	92 Å²	92	71.8 Å²	71.8	56%	0.564	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.1	137.4	178.4	50.5	0	0	0	0	110.9	A369	T362-A369 HydrophobicContact CG2-CB 3.89Å
363	C	92.8	Very high	88.3	Confident	2 Å²	2	76.5 Å²	76.5	1%	0.014	42%	0.418	C	S	.	.			trans	-77.1	124.7	168.3	-179.2	0	0	0	0	109	E365 G367 K368 F370 L376	C363-E365 VanDerWaalsContact C-N 3.25Å; C363-E365 PolarHBondContact O-N 3.24Å; C363-G367 WeakPolarHBondContact O-CA 3.17Å; C363-G367 PolarHBondContact O-N 3.19Å; C363-K368 WeakPolarHBondContact CB-O 3.37Å; C363-K368 PolarHBondContact N-O 3.25Å; C363-F370 HydrophobicContact CB-CE2 4.29Å; C363-L376 HydrophobicContact CB-CD1 3.62Å
364	S	90.4	Very high	88.1	Confident	110 Å²	110	77.3 Å²	77.3	77%	0.769	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-24.9	178.8	50.1	0	0	0	0	113.4
365	E	89.8	Confident	88.1	Confident	109 Å²	109	74.6 Å²	74.6	51%	0.509	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-38	-172.9	-62.8	178.6	-127	0	0	113.2	C363 H380 H383	C363-E365 VanDerWaalsContact C-N 3.25Å; C363-E365 PolarHBondContact O-N 3.24Å; E365-H380 IonicContact OE1-CE1 2.65Å; E365-H380 PolarHBondContact OE1-CE1 3.46Å; E365-H380 IonicContact OE1-ND1 3.18Å; E365-H380 PolarHBondContact OE1-ND1 2.73Å; E365-H380 VanDerWaalsContact OE1-ND1 3.09Å; E365-H383 WeakPolarHBondContact OE2-CB 3.44Å; E365-H383 IonicContact OE2-CD2 3.91Å; E365-H383 IonicContact OE2-CG 2.56Å; E365-H383 IonicContact OE2-ND1 3.87Å
366	C	90.4	Very high	88.2	Confident	51 Å²	51	72.3 Å²	72.3	35%	0.345	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122	2.9	-179.2	69.4	0	0	0	0	114.8	K368 H379 H383	C366-K368 PolarHBondContact O-N 3.4Å; C366-K368 VanDerWaalsContact SG-CG 3.59Å; C366-H379 PolarHBondContact SG-NE2 2.93Å; C366-H383 PolarHBondContact SG-NE2 3.24Å
367	G	87.4	Confident	88.2	Confident	57 Å²	57	73.2 Å²	73.2	59%	0.588	41%	0.413	S	S	*	.			trans	69.4	-1.4	-179.8	0	0	0	0	0	115	C363 A369	C363-G367 WeakPolarHBondContact O-CA 3.17Å; C363-G367 PolarHBondContact O-N 3.19Å; G367-A369 PolarHBondContact O-N 3.4Å
368	K	88.2	Confident	88.2	Confident	129 Å²	129	74.3 Å²	74.3	56%	0.561	41%	0.406	S	S	*	.			trans	-66.2	131.5	179.8	-71.8	179.5	-178.1	173.6	0	110.7	C363 C366 F370	C363-K368 WeakPolarHBondContact CB-O 3.37Å; C363-K368 PolarHBondContact N-O 3.25Å; C366-K368 PolarHBondContact O-N 3.4Å; C366-K368 VanDerWaalsContact SG-CG 3.59Å; K368-F370 HydrophobicContact CB-CE2 3.94Å; K368-F370 HydrophobicContact CB-CZ 3.96Å; K368-F370 WeakPolarHBondContact O-CE2 3.24Å
369	A	90.6	Very high	88.3	Confident	34 Å²	34	70.1 Å²	70.1	28%	0.281	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	143.6	-179.5	0	0	0	0	0	111.7	K359 Y361 T362 G367	K359-A369 HydrophobicContact CB-CB 3.46Å; K359-A369 VanDerWaalsContact CB-CB 3.46Å; K359-A369 HydrophobicContact CD-CB 4.11Å; K359-A369 WeakPolarHBondContact CD-O 3.33Å; K359-A369 HydrophobicContact CG-CB 4.4Å; Y361-A369 CarbonylContact O-C 3.41Å; Y361-A369 WeakPolarHBondContact O-CA 3.42Å; T362-A369 HydrophobicContact CG2-CB 3.89Å; G367-A369 PolarHBondContact O-N 3.4Å
370	F	87.9	Confident	88.2	Confident	37 Å²	37	67.1 Å²	67.1	16%	0.162	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	148.2	-178.4	-56.9	-86	0	0	0	111	K359 Y361 C363 K368 D372 V375 L376 H379	K359-F370 CarbonylContact C-O 3.12Å; K359-F370 VanDerWaalsContact C-O 3.29Å; K359-F370 WeakPolarHBondContact CA-O 3.34Å; Y361-F370 PolarHBondContact N-O 2.74Å; Y361-F370 PolarHBondContact O-N 2.67Å; C363-F370 HydrophobicContact CB-CE2 4.29Å; K368-F370 HydrophobicContact CB-CE2 3.94Å; K368-F370 HydrophobicContact CB-CZ 3.96Å; K368-F370 WeakPolarHBondContact O-CE2 3.24Å; F370-D372 VanDerWaalsContact C-N 3.33Å; F370-V375 HydrophobicContact CD1-CB 4.4Å; F370-V375 HydrophobicContact CD1-CG1 3.56Å; F370-V375 HydrophobicContact CE1-CG1 4.12Å; F370-V375 HydrophobicContact CG-CG1 4.29Å; F370-L376 HydrophobicContact CB-CB 4.36Å; F370-L376 HydrophobicContact CD2-CB 3.92Å; F370-L376 HydrophobicContact CD2-CD1 3.68Å; F370-L376 HydrophobicContact CD2-CG 4.38Å; F370-L376 HydrophobicContact CE2-CD1 3.83Å; F370-L376 HydrophobicContact CG-CB 4.33Å; F370-H379 HydrophobicContact CE1-CB 4.13Å; F370-H379 HydrophobicContact CE2-CB 3.96Å; F370-H379 AromaticContact CE2-CD2 3.38Å; F370-H379 WeakPolarHBondContact CE2-CD2 3.43Å; F370-H379 AromaticContact CE2-CG 3.68Å; F370-H379 HydrophobicContact CZ-CB 3.6Å; F370-H379 AromaticContact CZ-CD2 3.34Å; F370-H379 WeakPolarHBondContact CZ-CD2 3.45Å; F370-H379 AromaticContact CZ-CG 3.23Å; F370-H379 AromaticContact CZ-ND1 3.7Å; F370-H379 AromaticContact CZ-NE2 3.8Å
371	S	85.9	Confident	88.1	Confident	40 Å²	40	65 Å²	65	28%	0.28	36%	0.359	S	S	.	.	S	Bend	trans	-80.2	-15.6	177.8	54.9	0	0	0	0	113.1	R353	R353-S371 PolarHBondContact NH1-O 3.4Å
372	D	85.6	Confident	87.9	Confident	41 Å²	41	66.7 Å²	66.7	22%	0.219	38%	0.376	C	S	.	.			trans	-131.4	139.2	178.9	-168	-4.1	0	0	0	111.6	Q350 F370 S374 V375 L376	Q350-D372 VanDerWaalsContact NE2-CB 3.29Å; Q350-D372 PolarHBondContact NE2-OD2 3.23Å; F370-D372 VanDerWaalsContact C-N 3.33Å; D372-S374 VanDerWaalsContact C-N 3.32Å; D372-S374 PolarHBondContact O-N 3.04Å; D372-S374 PolarHBondContact OD1-N 2.85Å; D372-S374 VanDerWaalsContact OD1-N 3.14Å; D372-V375 HydrophobicContact CB-CB 4.37Å; D372-V375 HydrophobicContact CB-CG2 3.97Å; D372-V375 PolarHBondContact O-N 2.78Å; D372-L376 PolarHBondContact O-N 3.37Å
373	R	86.5	Confident	87.7	Confident	160 Å²	160	65.5 Å²	65.5	60%	0.604	36%	0.364	S	S	*	.	H	α-helix	trans	-64.1	-37.6	175.7	-174.5	178.7	-179.6	-171.3	1	111.4	Y361 V375 L376 I377	Y361-R373 HydrophobicContact CD1-CB 4.02Å; Y361-R373 HydrophobicContact CD1-CG 4.43Å; Y361-R373 HydrophobicContact CD2-CB 4.33Å; Y361-R373 VanDerWaalsContact CD2-N 3.26Å; Y361-R373 HydrophobicContact CE1-CB 3.87Å; Y361-R373 HydrophobicContact CE1-CG 4.44Å; Y361-R373 HydrophobicContact CE2-CB 4.15Å; Y361-R373 VanDerWaalsContact CE2-N 3.34Å; Y361-R373 HydrophobicContact CG-CB 4.25Å; R373-V375 VanDerWaalsContact C-N 3.27Å; R373-V375 PolarHBondContact O-N 2.76Å; R373-L376 PolarHBondContact O-N 3.02Å; R373-I377 HydrophobicContact CG-CD1 4.12Å; R373-I377 WeakPolarHBondContact O-CG1 3.43Å; R373-I377 PolarHBondContact O-N 3.47Å
374	S	85.4	Confident	87.4	Confident	79 Å²	79	68.9 Å²	68.9	55%	0.552	39%	0.385	S	S	*	.	H	α-helix	trans	-62.8	-37.2	179.2	-69.1	0	0	0	0	112	D372 I377 Q378	D372-S374 VanDerWaalsContact C-N 3.32Å; D372-S374 PolarHBondContact O-N 3.04Å; D372-S374 PolarHBondContact OD1-N 2.85Å; D372-S374 VanDerWaalsContact OD1-N 3.14Å; S374-I377 PolarHBondContact O-N 3.11Å; S374-Q378 WeakPolarHBondContact O-CB 3.27Å; S374-Q378 PolarHBondContact O-N 3.06Å
375	V	85.6	Confident	87	Confident	61 Å²	61	66.1 Å²	66.1	37%	0.37	37%	0.373	S	S	.	.	H	α-helix	trans	-70.2	-38.4	176.4	-179	0	0	0	0	110.9	F370 D372 R373 Q378 H379	F370-V375 HydrophobicContact CD1-CB 4.4Å; F370-V375 HydrophobicContact CD1-CG1 3.56Å; F370-V375 HydrophobicContact CE1-CG1 4.12Å; F370-V375 HydrophobicContact CG-CG1 4.29Å; D372-V375 HydrophobicContact CB-CB 4.37Å; D372-V375 HydrophobicContact CB-CG2 3.97Å; D372-V375 PolarHBondContact O-N 2.78Å; R373-V375 VanDerWaalsContact C-N 3.27Å; R373-V375 PolarHBondContact O-N 2.76Å; V375-Q378 PolarHBondContact O-N 3.09Å; V375-H379 VanDerWaalsContact O-CB 3.29Å; V375-H379 WeakPolarHBondContact O-CB 3.42Å; V375-H379 PolarHBondContact O-N 3.43Å
376	L	89.3	Confident	86.8	Confident	21 Å²	21	66.4 Å²	66.4	11%	0.11	38%	0.375	C	S	.	.	H	α-helix	trans	-61.7	-45.3	173.1	172.7	63.1	0	0	0	112	C363 F370 D372 R373 Q378 H379 H380	C363-L376 HydrophobicContact CB-CD1 3.62Å; F370-L376 HydrophobicContact CB-CB 4.36Å; F370-L376 HydrophobicContact CD2-CB 3.92Å; F370-L376 HydrophobicContact CD2-CD1 3.68Å; F370-L376 HydrophobicContact CD2-CG 4.38Å; F370-L376 HydrophobicContact CE2-CD1 3.83Å; F370-L376 HydrophobicContact CG-CB 4.33Å; D372-L376 PolarHBondContact O-N 3.37Å; R373-L376 PolarHBondContact O-N 3.02Å; L376-Q378 VanDerWaalsContact C-N 3.32Å; L376-Q378 PolarHBondContact O-N 3.32Å; L376-H379 WeakPolarHBondContact O-CB 3.43Å; L376-H379 PolarHBondContact O-N 2.83Å; L376-H379 VanDerWaalsContact O-N 3.12Å; L376-H380 PolarHBondContact O-CD2 2.68Å; L376-H380 PolarHBondContact O-N 3.47Å
377	I	86.2	Confident	86.7	Confident	98 Å²	98	69.4 Å²	69.4	50%	0.503	38%	0.382	S	S	.	.	H	α-helix	trans	-60.4	-45.7	177.9	-68.2	167.5	0	0	0	110.1	R373 S374 H379 H380	R373-I377 HydrophobicContact CG-CD1 4.12Å; R373-I377 WeakPolarHBondContact O-CG1 3.43Å; R373-I377 PolarHBondContact O-N 3.47Å; S374-I377 PolarHBondContact O-N 3.11Å; I377-H379 VanDerWaalsContact C-N 3.28Å; I377-H379 PolarHBondContact O-N 3.44Å; I377-H380 PolarHBondContact O-N 2.76Å
378	Q	85.8	Confident	86.7	Confident	70 Å²	70	70.5 Å²	70.5	33%	0.327	38%	0.379	S	S	.	.	H	α-helix	trans	-63.3	-35.3	175.4	177.9	172.2	60.3	0	0	112.4	S374 V375 L376 H380 N381 H400	S374-Q378 WeakPolarHBondContact O-CB 3.27Å; S374-Q378 PolarHBondContact O-N 3.06Å; V375-Q378 PolarHBondContact O-N 3.09Å; L376-Q378 VanDerWaalsContact C-N 3.32Å; L376-Q378 PolarHBondContact O-N 3.32Å; Q378-H380 VanDerWaalsContact C-N 3.32Å; Q378-H380 PolarHBondContact O-N 3.2Å; Q378-N381 VanDerWaalsContact O-CB 3.28Å; Q378-N381 WeakPolarHBondContact O-CB 3.15Å; Q378-N381 PolarHBondContact O-N 3.14Å; Q378-H400 VanDerWaalsContact CG-NE2 3.25Å; Q378-H400 WeakPolarHBondContact CG-NE2 3.43Å; Q378-H400 PolarHBondContact NE2-CD2 2.99Å; Q378-H400 PolarHBondContact NE2-CE1 3.19Å; Q378-H400 PolarHBondContact NE2-ND1 3.4Å; Q378-H400 VanDerWaalsContact NE2-ND1 3.12Å; Q378-H400 PolarHBondContact NE2-NE2 3.06Å; Q378-H400 PolarHBondContact OE1-CE1 3.21Å
379	H	87.9	Confident	86.8	Confident	25 Å²	25	68.8 Å²	68.8	12%	0.116	37%	0.369	C	S	.	.	H	α-helix	trans	-65.3	-34.1	177	175.2	62.6	0	0	0	112.7	C366 F370 V375 L376 I377 N381 V382 H383	C366-H379 PolarHBondContact SG-NE2 2.93Å; F370-H379 HydrophobicContact CE1-CB 4.13Å; F370-H379 HydrophobicContact CE2-CB 3.96Å; F370-H379 AromaticContact CE2-CD2 3.38Å; F370-H379 WeakPolarHBondContact CE2-CD2 3.43Å; F370-H379 AromaticContact CE2-CG 3.68Å; F370-H379 HydrophobicContact CZ-CB 3.6Å; F370-H379 AromaticContact CZ-CD2 3.34Å; F370-H379 WeakPolarHBondContact CZ-CD2 3.45Å; F370-H379 AromaticContact CZ-CG 3.23Å; F370-H379 AromaticContact CZ-ND1 3.7Å; F370-H379 AromaticContact CZ-NE2 3.8Å; V375-H379 VanDerWaalsContact O-CB 3.29Å; V375-H379 WeakPolarHBondContact O-CB 3.42Å; V375-H379 PolarHBondContact O-N 3.43Å; L376-H379 WeakPolarHBondContact O-CB 3.43Å; L376-H379 PolarHBondContact O-N 2.83Å; L376-H379 VanDerWaalsContact O-N 3.12Å; I377-H379 VanDerWaalsContact C-N 3.28Å; I377-H379 PolarHBondContact O-N 3.44Å; H379-N381 PolarHBondContact O-N 3.12Å; H379-N381 VanDerWaalsContact O-N 3.11Å; H379-V382 VanDerWaalsContact O-CB 3.25Å; H379-V382 WeakPolarHBondContact O-CB 3.44Å; H379-V382 WeakPolarHBondContact O-CG2 3.37Å; H379-V382 PolarHBondContact O-N 3.24Å; H379-H383 AromaticContact CE1-NE2 3.95Å; H379-H383 AromaticContact NE2-NE2 3.33Å; H379-H383 PolarHBondContact NE2-NE2 3.22Å
380	H	86.4	Confident	86.8	Confident	51 Å²	51	73.1 Å²	73.1	24%	0.236	38%	0.384	C	S	.	.	H	α-helix	trans	-56.7	-27.8	176.4	-89.4	-73.6	0	0	0	113.1	E365 L376 I377 Q378 V382 H383 T384	E365-H380 IonicContact OE1-CE1 2.65Å; E365-H380 PolarHBondContact OE1-CE1 3.46Å; E365-H380 IonicContact OE1-ND1 3.18Å; E365-H380 PolarHBondContact OE1-ND1 2.73Å; E365-H380 VanDerWaalsContact OE1-ND1 3.09Å; L376-H380 PolarHBondContact O-CD2 2.68Å; L376-H380 PolarHBondContact O-N 3.47Å; I377-H380 PolarHBondContact O-N 2.76Å; Q378-H380 VanDerWaalsContact C-N 3.32Å; Q378-H380 PolarHBondContact O-N 3.2Å; H380-V382 PolarHBondContact O-N 3.23Å; H380-V382 VanDerWaalsContact O-N 3.08Å; H380-H383 PolarHBondContact O-N 3.06Å; H380-T384 PolarHBondContact O-N 3.4Å; H380-T384 PolarHBondContact O-OG1 3.08Å
381	N	87.6	Confident	87.1	Confident	26 Å²	26	71.4 Å²	71.4	14%	0.139	38%	0.376	C	S	.	.	H	α-helix	trans	-58	-24.2	174.1	-61	-4.5	0	0	0	113	Q378 H379 H383 T384 G385 E386	Q378-N381 VanDerWaalsContact O-CB 3.28Å; Q378-N381 WeakPolarHBondContact O-CB 3.15Å; Q378-N381 PolarHBondContact O-N 3.14Å; H379-N381 PolarHBondContact O-N 3.12Å; H379-N381 VanDerWaalsContact O-N 3.11Å; N381-H383 VanDerWaalsContact C-N 3.32Å; N381-T384 WeakPolarHBondContact CA-OG1 3.37Å; N381-G385 WeakPolarHBondContact O-CA 3.36Å; N381-G385 PolarHBondContact O-N 2.68Å; N381-E386 WeakPolarHBondContact CB-O 3.49Å
382	V	86.5	Confident	87.3	Confident	108 Å²	108	74.7 Å²	74.7	66%	0.655	40%	0.399	S	S	*	.	H	α-helix	trans	-69.6	-33.4	175.4	-179.2	0	0	0	0	111.3	H379 H380	H379-V382 VanDerWaalsContact O-CB 3.25Å; H379-V382 WeakPolarHBondContact O-CB 3.44Å; H379-V382 WeakPolarHBondContact O-CG2 3.37Å; H379-V382 PolarHBondContact O-N 3.24Å; H380-V382 PolarHBondContact O-N 3.23Å; H380-V382 VanDerWaalsContact O-N 3.08Å
383	H	86.4	Confident	87.5	Confident	67 Å²	67	78.9 Å²	78.9	31%	0.31	42%	0.418	S	S	.	.	H	α-helix	trans	-85.8	-46	-179.5	-64.3	-56	0	0	0	112.4	E365 C366 H379 H380 N381 G385	E365-H383 WeakPolarHBondContact OE2-CB 3.44Å; E365-H383 IonicContact OE2-CD2 3.91Å; E365-H383 IonicContact OE2-CG 2.56Å; E365-H383 IonicContact OE2-ND1 3.87Å; C366-H383 PolarHBondContact SG-NE2 3.24Å; H379-H383 AromaticContact CE1-NE2 3.95Å; H379-H383 AromaticContact NE2-NE2 3.33Å; H379-H383 PolarHBondContact NE2-NE2 3.22Å; H380-H383 PolarHBondContact O-N 3.06Å; N381-H383 VanDerWaalsContact C-N 3.32Å; H383-G385 PolarHBondContact O-N 3.18Å
384	T	85	Confident	87.7	Confident	73 Å²	73	73.8 Å²	73.8	45%	0.448	41%	0.406	S	S	.	.	H	α-helix	trans	-73.4	-18.8	179.8	60.8	0	0	0	0	112.2	H380 N381 E386	H380-T384 PolarHBondContact O-N 3.4Å; H380-T384 PolarHBondContact O-OG1 3.08Å; N381-T384 WeakPolarHBondContact CA-OG1 3.37Å; T384-E386 PolarHBondContact O-N 3.28Å; T384-E386 WeakPolarHBondContact OG1-CB 3.5Å; T384-E386 WeakPolarHBondContact OG1-CG 3.41Å; T384-E386 PolarHBondContact OG1-N 2.74Å
385	G	83.7	Confident	87.8	Confident	51 Å²	51	71.9 Å²	71.9	53%	0.526	40%	0.398	S	S	.	.			trans	69.5	6.8	-172.2	0	0	0	0	0	113.1	N381 H383 K387	N381-G385 WeakPolarHBondContact O-CA 3.36Å; N381-G385 PolarHBondContact O-N 2.68Å; H383-G385 PolarHBondContact O-N 3.18Å; G385-K387 PolarHBondContact O-N 3.04Å
386	E	84.7	Confident	87.9	Confident	116 Å²	116	74.9 Å²	74.9	54%	0.542	41%	0.407	S	S	.	.			trans	-62.2	130	179.1	-74.3	-179.6	176.5	0	0	110.4	N381 T384	N381-E386 WeakPolarHBondContact CB-O 3.49Å; T384-E386 PolarHBondContact O-N 3.28Å; T384-E386 WeakPolarHBondContact OG1-CB 3.5Å; T384-E386 WeakPolarHBondContact OG1-CG 3.41Å; T384-E386 PolarHBondContact OG1-N 2.74Å
387	K	87.5	Confident	87.9	Confident	113 Å²	113	76.7 Å²	76.7	49%	0.491	42%	0.418	S	S	.	.			trans	-125.7	79.3	176.1	-69.7	-179.9	-179.2	-178.7	0	108.5	G385 Y389 T397 F398	G385-K387 PolarHBondContact O-N 3.04Å; K387-Y389 PolarHBondContact O-N 3.38Å; K387-T397 WeakPolarHBondContact CB-OG1 3.47Å; K387-T397 WeakPolarHBondContact CD-O 3.31Å; K387-T397 WeakPolarHBondContact CD-OG1 3.44Å; K387-F398 CarbonylContact C-O 3.28Å; K387-F398 VanDerWaalsContact CA-O 3.31Å; K387-F398 WeakPolarHBondContact CA-O 3.31Å
388	P	87.9	Confident	88	Confident	81 Å²	81	74 Å²	74	53%	0.526	40%	0.403	S	S	.	.			trans	-66.2	-12.7	-167.8	-22.2	34.5	0	0	0	114.5
389	Y	90.2	Very high	88	Confident	92 Å²	92	72.7 Å²	72.7	36%	0.361	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	103	-173.5	-56.7	-73.5	0	0	0	109.6	K387 T397 F398 S399 R401	K387-Y389 PolarHBondContact O-N 3.38Å; Y389-T397 CarbonylContact O-C 3.3Å; Y389-T397 WeakPolarHBondContact O-CA 3.48Å; Y389-F398 WeakPolarHBondContact CB-O 3.5Å; Y389-F398 PolarHBondContact N-O 3.28Å; Y389-F398 PolarHBondContact O-N 2.88Å; Y389-S399 WeakPolarHBondContact CE2-O 3.05Å; Y389-R401 HydrophobicContact CD1-CB 3.98Å; Y389-R401 HydrophobicContact CD1-CG 4.36Å; Y389-R401 HydrophobicContact CE1-CB 3.77Å; Y389-R401 HydrophobicContact CE1-CG 4.32Å; Y389-R401 HydrophobicContact CE2-CB 4.34Å; Y389-R401 HydrophobicContact CG-CB 4.36Å
390	E	91.6	Very high	87.8	Confident	126 Å²	126	74.2 Å²	74.2	59%	0.589	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.8	137.4	178.7	-173.5	176.1	170.6	0	0	111.5	T397	E390-T397 HydrophobicContact CB-CG2 4.08Å; E390-T397 HydrophobicContact CG-CG2 4.03Å
391	C	92.8	Very high	87.8	Confident	0 Å²	0	80.9 Å²	80.9	0%	0	43%	0.432	C	S	.	.			trans	-79.5	121.1	169.8	177.2	0	0	0	0	110.1	E393 C394 G395 K396 F398 L404 H411	C391-E393 PolarHBondContact O-N 3.17Å; C391-C394 VanDerWaalsContact SG-SG 3.7Å; C391-G395 VanDerWaalsContact O-CA 3.27Å; C391-G395 WeakPolarHBondContact O-CA 3.44Å; C391-G395 PolarHBondContact O-N 3.21Å; C391-K396 WeakPolarHBondContact CB-O 3.25Å; C391-K396 PolarHBondContact N-O 2.91Å; C391-F398 HydrophobicContact CB-CE2 4.23Å; C391-L404 HydrophobicContact CB-CD1 3.59Å; C391-H411 PolarHBondContact SG-NE2 3.45Å
392	S	90.8	Very high	87.7	Confident	109 Å²	109	82.9 Å²	82.9	76%	0.762	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-25.9	-179.4	50.2	0	0	0	0	114.2
393	E	88.9	Confident	87.8	Confident	130 Å²	130	80.4 Å²	80.4	61%	0.607	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-34.3	-174	-64.1	-171.1	-173.1	0	0	114	C391 H411	C391-E393 PolarHBondContact O-N 3.17Å; E393-H411 WeakPolarHBondContact OE2-CB 3.29Å; E393-H411 IonicContact OE2-CD2 3.05Å; E393-H411 PolarHBondContact OE2-CD2 3.05Å; E393-H411 IonicContact OE2-CG 3.09Å; E393-H411 IonicContact OE2-ND1 3.05Å
394	C	90.6	Very high	88	Confident	53 Å²	53	78 Å²	78	36%	0.358	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.7	3.9	-176.3	73.4	0	0	0	0	114.5	C391 K396 H407	C391-C394 VanDerWaalsContact SG-SG 3.7Å; C394-K396 PolarHBondContact O-N 3.04Å; C394-K396 VanDerWaalsContact SG-CG 3.57Å; C394-H407 PolarHBondContact SG-NE2 3.3Å
395	G	87.5	Confident	88.2	Confident	38 Å²	38	79 Å²	79	39%	0.392	42%	0.423	S	S	.	.			trans	65.5	5.6	179.7	0	0	0	0	0	114.6	C391 T397	C391-G395 VanDerWaalsContact O-CA 3.27Å; C391-G395 WeakPolarHBondContact O-CA 3.44Å; C391-G395 PolarHBondContact O-N 3.21Å; G395-T397 PolarHBondContact O-N 3.1Å
396	K	88.8	Confident	88.4	Confident	125 Å²	125	78.8 Å²	78.8	54%	0.543	41%	0.41	S	S	.	.			trans	-69.3	130.5	178.7	-74.1	178.8	-174.1	167.6	0	109.8	C391 C394 F398	C391-K396 WeakPolarHBondContact CB-O 3.25Å; C391-K396 PolarHBondContact N-O 2.91Å; C394-K396 PolarHBondContact O-N 3.04Å; C394-K396 VanDerWaalsContact SG-CG 3.57Å; K396-F398 HydrophobicContact CB-CE2 3.86Å; K396-F398 HydrophobicContact CB-CZ 3.95Å; K396-F398 WeakPolarHBondContact O-CD2 3.46Å; K396-F398 VanDerWaalsContact O-CE2 3.24Å; K396-F398 WeakPolarHBondContact O-CE2 3.34Å
397	T	89.4	Confident	88.6	Confident	58 Å²	58	74.1 Å²	74.1	36%	0.356	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	146.6	179.3	59.9	0	0	0	0	111.5	K387 Y389 E390 G395	K387-T397 WeakPolarHBondContact CB-OG1 3.47Å; K387-T397 WeakPolarHBondContact CD-O 3.31Å; K387-T397 WeakPolarHBondContact CD-OG1 3.44Å; Y389-T397 CarbonylContact O-C 3.3Å; Y389-T397 WeakPolarHBondContact O-CA 3.48Å; E390-T397 HydrophobicContact CB-CG2 4.08Å; E390-T397 HydrophobicContact CG-CG2 4.03Å; G395-T397 PolarHBondContact O-N 3.1Å
398	F	87.6	Confident	88.7	Confident	41 Å²	41	72.1 Å²	72.1	18%	0.18	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	147.2	-177.5	-59.4	-87.5	0	0	0	110.6	K387 Y389 C391 K396 H400 L404 H407	K387-F398 CarbonylContact C-O 3.28Å; K387-F398 VanDerWaalsContact CA-O 3.31Å; K387-F398 WeakPolarHBondContact CA-O 3.31Å; Y389-F398 WeakPolarHBondContact CB-O 3.5Å; Y389-F398 PolarHBondContact N-O 3.28Å; Y389-F398 PolarHBondContact O-N 2.88Å; C391-F398 HydrophobicContact CB-CE2 4.23Å; K396-F398 HydrophobicContact CB-CE2 3.86Å; K396-F398 HydrophobicContact CB-CZ 3.95Å; K396-F398 WeakPolarHBondContact O-CD2 3.46Å; K396-F398 VanDerWaalsContact O-CE2 3.24Å; K396-F398 WeakPolarHBondContact O-CE2 3.34Å; F398-H400 VanDerWaalsContact C-N 3.35Å; F398-L404 HydrophobicContact CB-CB 4.23Å; F398-L404 HydrophobicContact CD2-CB 3.87Å; F398-L404 HydrophobicContact CD2-CD1 3.68Å; F398-L404 HydrophobicContact CD2-CG 4.38Å; F398-L404 HydrophobicContact CE2-CD1 3.86Å; F398-L404 HydrophobicContact CG-CB 4.2Å; F398-H407 HydrophobicContact CE1-CB 3.89Å; F398-H407 HydrophobicContact CE2-CB 3.91Å; F398-H407 AromaticContact CE2-CD2 3.39Å; F398-H407 WeakPolarHBondContact CE2-CD2 3.48Å; F398-H407 AromaticContact CE2-CG 3.63Å; F398-H407 HydrophobicContact CZ-CB 3.43Å; F398-H407 VanDerWaalsContact CZ-CB 3.43Å; F398-H407 AromaticContact CZ-CD2 3.38Å; F398-H407 WeakPolarHBondContact CZ-CD2 3.44Å; F398-H407 AromaticContact CZ-CG 3.15Å; F398-H407 AromaticContact CZ-ND1 3.66Å; F398-H407 AromaticContact CZ-NE2 3.95Å
399	S	85.3	Confident	88.7	Confident	43 Å²	43	69.9 Å²	69.9	30%	0.301	36%	0.362	S	S	.	.	S	Bend	trans	-76.5	-24.8	177.4	54.1	0	0	0	0	112.4	Y389	Y389-S399 WeakPolarHBondContact CE2-O 3.05Å
400	H	84.6	Confident	88.5	Confident	58 Å²	58	70.6 Å²	70.6	27%	0.269	37%	0.37	S	S	.	.	S	Bend	trans	-126.5	142.1	-175.5	-64.7	-159.8	0	0	0	111.1	Q378 F398 S402 T403 L404	Q378-H400 VanDerWaalsContact CG-NE2 3.25Å; Q378-H400 WeakPolarHBondContact CG-NE2 3.43Å; Q378-H400 PolarHBondContact NE2-CD2 2.99Å; Q378-H400 PolarHBondContact NE2-CE1 3.19Å; Q378-H400 PolarHBondContact NE2-ND1 3.4Å; Q378-H400 VanDerWaalsContact NE2-ND1 3.12Å; Q378-H400 PolarHBondContact NE2-NE2 3.06Å; Q378-H400 PolarHBondContact OE1-CE1 3.21Å; F398-H400 VanDerWaalsContact C-N 3.35Å; H400-S402 VanDerWaalsContact C-N 3.34Å; H400-S402 PolarHBondContact O-N 3.33Å; H400-T403 HydrophobicContact CB-CG2 4.31Å; H400-T403 PolarHBondContact O-N 3.27Å; H400-T403 PolarHBondContact O-OG1 3.37Å; H400-L404 PolarHBondContact O-N 2.99Å
401	R	86.1	Confident	88.3	Confident	191 Å²	191	67.6 Å²	67.6	72%	0.721	36%	0.357	S	S	*	.	H	α-helix	trans	-62	-38.4	176.7	-172.7	174.7	179.8	168.5	2.1	113.2	Y389 T403 L404 M405	Y389-R401 HydrophobicContact CD1-CB 3.98Å; Y389-R401 HydrophobicContact CD1-CG 4.36Å; Y389-R401 HydrophobicContact CE1-CB 3.77Å; Y389-R401 HydrophobicContact CE1-CG 4.32Å; Y389-R401 HydrophobicContact CE2-CB 4.34Å; Y389-R401 HydrophobicContact CG-CB 4.36Å; R401-T403 VanDerWaalsContact C-N 3.28Å; R401-T403 PolarHBondContact O-N 3.37Å; R401-L404 PolarHBondContact O-N 3.17Å; R401-M405 PolarHBondContact O-N 2.89Å
402	S	86.1	Confident	87.9	Confident	68 Å²	68	71.1 Å²	71.1	48%	0.476	38%	0.378	S	S	.	.	H	α-helix	trans	-64.5	-33.4	178.5	52.6	0	0	0	0	112.6	H400 N406	H400-S402 VanDerWaalsContact C-N 3.34Å; H400-S402 PolarHBondContact O-N 3.33Å; S402-N406 WeakPolarHBondContact O-CB 3.37Å; S402-N406 VanDerWaalsContact O-CG 3.31Å; S402-N406 PolarHBondContact O-N 3.47Å; S402-N406 PolarHBondContact O-ND2 3.4Å
403	T	88.5	Confident	87.5	Confident	55 Å²	55	73.5 Å²	73.5	34%	0.337	38%	0.377	S	S	.	.	H	α-helix	trans	-72.8	-36.5	175.3	49.8	0	0	0	0	111.9	H400 R401 H407	H400-T403 HydrophobicContact CB-CG2 4.31Å; H400-T403 PolarHBondContact O-N 3.27Å; H400-T403 PolarHBondContact O-OG1 3.37Å; R401-T403 VanDerWaalsContact C-N 3.28Å; R401-T403 PolarHBondContact O-N 3.37Å; T403-H407 VanDerWaalsContact O-CB 3.32Å; T403-H407 WeakPolarHBondContact O-CB 3.4Å; T403-H407 PolarHBondContact O-N 2.83Å
404	L	91.5	Very high	87.4	Confident	16 Å²	16	72.5 Å²	72.5	8%	0.084	37%	0.372	C	S	.	.	H	α-helix	trans	-62	-50.8	171.1	171	61.9	0	0	0	110.7	C391 F398 H400 R401 N406 H407 E408	C391-L404 HydrophobicContact CB-CD1 3.59Å; F398-L404 HydrophobicContact CB-CB 4.23Å; F398-L404 HydrophobicContact CD2-CB 3.87Å; F398-L404 HydrophobicContact CD2-CD1 3.68Å; F398-L404 HydrophobicContact CD2-CG 4.38Å; F398-L404 HydrophobicContact CE2-CD1 3.86Å; F398-L404 HydrophobicContact CG-CB 4.2Å; H400-L404 PolarHBondContact O-N 2.99Å; R401-L404 PolarHBondContact O-N 3.17Å; L404-N406 VanDerWaalsContact C-N 3.3Å; L404-N406 PolarHBondContact O-N 3.03Å; L404-H407 CarbonylContact O-C 3.54Å; L404-H407 WeakPolarHBondContact O-CA 3.43Å; L404-H407 VanDerWaalsContact O-CB 3.3Å; L404-H407 WeakPolarHBondContact O-CB 3.25Å; L404-H407 PolarHBondContact O-N 2.75Å; L404-E408 HydrophobicContact CD1-CG 3.94Å; L404-E408 HydrophobicContact CG-CG 4.3Å; L404-E408 WeakPolarHBondContact O-CG 3.35Å; L404-E408 PolarHBondContact O-N 3.08Å
405	M	88.4	Confident	87.3	Confident	95 Å²	95	75.5 Å²	75.5	47%	0.468	38%	0.379	S	S	.	.	H	α-helix	trans	-58.7	-40.7	179.6	-178.9	-178.4	158.9	0	0	112.4	R401 H407 R409	R401-M405 PolarHBondContact O-N 2.89Å; M405-H407 VanDerWaalsContact C-N 3.28Å; M405-H407 PolarHBondContact O-N 3.48Å; M405-R409 WeakPolarHBondContact O-CG 3.28Å; M405-R409 PolarHBondContact O-N 3.34Å
406	N	87.4	Confident	87.4	Confident	46 Å²	46	77 Å²	77	25%	0.246	38%	0.382	C	S	.	.	H	α-helix	trans	-68	-28.6	173.8	-75.8	-26	0	0	0	113	S402 L404 Q428	S402-N406 WeakPolarHBondContact O-CB 3.37Å; S402-N406 VanDerWaalsContact O-CG 3.31Å; S402-N406 PolarHBondContact O-N 3.47Å; S402-N406 PolarHBondContact O-ND2 3.4Å; L404-N406 VanDerWaalsContact C-N 3.3Å; L404-N406 PolarHBondContact O-N 3.03Å; N406-Q428 PolarHBondContact ND2-NE2 3.24Å
407	H	89.3	Confident	87.5	Confident	18 Å²	18	74.6 Å²	74.6	8%	0.083	37%	0.37	C	S	.	.	H	α-helix	trans	-75.9	-41.2	176.2	168.1	71.1	0	0	0	111.8	C394 F398 T403 L404 M405 R409 I410 H411	C394-H407 PolarHBondContact SG-NE2 3.3Å; F398-H407 HydrophobicContact CE1-CB 3.89Å; F398-H407 HydrophobicContact CE2-CB 3.91Å; F398-H407 AromaticContact CE2-CD2 3.39Å; F398-H407 WeakPolarHBondContact CE2-CD2 3.48Å; F398-H407 AromaticContact CE2-CG 3.63Å; F398-H407 HydrophobicContact CZ-CB 3.43Å; F398-H407 VanDerWaalsContact CZ-CB 3.43Å; F398-H407 AromaticContact CZ-CD2 3.38Å; F398-H407 WeakPolarHBondContact CZ-CD2 3.44Å; F398-H407 AromaticContact CZ-CG 3.15Å; F398-H407 AromaticContact CZ-ND1 3.66Å; F398-H407 AromaticContact CZ-NE2 3.95Å; T403-H407 VanDerWaalsContact O-CB 3.32Å; T403-H407 WeakPolarHBondContact O-CB 3.4Å; T403-H407 PolarHBondContact O-N 2.83Å; L404-H407 CarbonylContact O-C 3.54Å; L404-H407 WeakPolarHBondContact O-CA 3.43Å; L404-H407 VanDerWaalsContact O-CB 3.3Å; L404-H407 WeakPolarHBondContact O-CB 3.25Å; L404-H407 PolarHBondContact O-N 2.75Å; M405-H407 VanDerWaalsContact C-N 3.28Å; M405-H407 PolarHBondContact O-N 3.48Å; H407-R409 PolarHBondContact O-N 3.14Å; H407-I410 WeakPolarHBondContact O-CB 3.46Å; H407-I410 WeakPolarHBondContact O-CG1 3.33Å; H407-I410 PolarHBondContact O-N 2.83Å; H407-H411 AromaticContact CD2-NE2 3.89Å; H407-H411 AromaticContact CE1-CE1 3.98Å; H407-H411 AromaticContact CE1-NE2 3.69Å; H407-H411 AromaticContact NE2-CE1 3.8Å; H407-H411 AromaticContact NE2-NE2 3.14Å; H407-H411 PolarHBondContact NE2-NE2 3.41Å; H407-H411 VanDerWaalsContact NE2-NE2 3.14Å
408	E	88.6	Confident	87.6	Confident	72 Å²	72	74.9 Å²	74.9	34%	0.336	38%	0.378	S	S	.	.	H	α-helix	trans	-56.7	-33.9	176.1	-72.2	169.7	160.3	0	0	111.6	L404 I410 H411 T412	L404-E408 HydrophobicContact CD1-CG 3.94Å; L404-E408 HydrophobicContact CG-CG 4.3Å; L404-E408 WeakPolarHBondContact O-CG 3.35Å; L404-E408 PolarHBondContact O-N 3.08Å; E408-I410 PolarHBondContact O-N 3.35Å; E408-I410 VanDerWaalsContact O-N 3.1Å; E408-H411 PolarHBondContact O-N 3.4Å; E408-T412 PolarHBondContact O-N 3.46Å
409	R	88.6	Confident	87.9	Confident	34 Å²	34	73 Å²	73	13%	0.128	37%	0.37	C	S	.	.	H	α-helix	trans	-58.3	-23.1	173.1	-70.5	176.2	-179.6	-165.4	-7.7	114.5	M405 H407 H411 T412 E413 E414 V427	M405-R409 WeakPolarHBondContact O-CG 3.28Å; M405-R409 PolarHBondContact O-N 3.34Å; H407-R409 PolarHBondContact O-N 3.14Å; R409-H411 VanDerWaalsContact C-N 3.33Å; R409-T412 VanDerWaalsContact CA-OG1 3.31Å; R409-T412 WeakPolarHBondContact CA-OG1 3.38Å; R409-T412 PolarHBondContact O-OG1 2.9Å; R409-E413 WeakPolarHBondContact O-CA 3.34Å; R409-E413 PolarHBondContact O-N 3.08Å; R409-E413 VanDerWaalsContact O-N 3.11Å; R409-E414 PolarHBondContact O-N 3.4Å; R409-V427 HydrophobicContact CB-CG1 3.62Å; R409-V427 HydrophobicContact CG-CG1 4.36Å; R409-V427 PolarHBondContact NH1-O 3.41Å; R409-V427 VanDerWaalsContact NH1-O 3.14Å
410	I	85.6	Confident	88.1	Confident	106 Å²	106	82 Å²	82	54%	0.544	40%	0.399	S	S	.	.	H	α-helix	trans	-68.1	-37.6	176	-59.1	174.6	0	0	0	110.3	H407 E408	H407-I410 WeakPolarHBondContact O-CB 3.46Å; H407-I410 WeakPolarHBondContact O-CG1 3.33Å; H407-I410 PolarHBondContact O-N 2.83Å; E408-I410 PolarHBondContact O-N 3.35Å; E408-I410 VanDerWaalsContact O-N 3.1Å
411	H	87.3	Confident	88.3	Confident	64 Å²	64	85 Å²	85	30%	0.296	41%	0.413	S	S	.	.	H	α-helix	trans	-77.8	-37.7	-178.7	-52.5	-57.2	0	0	0	112.2	C391 E393 H407 E408 R409 E413	C391-H411 PolarHBondContact SG-NE2 3.45Å; E393-H411 WeakPolarHBondContact OE2-CB 3.29Å; E393-H411 IonicContact OE2-CD2 3.05Å; E393-H411 PolarHBondContact OE2-CD2 3.05Å; E393-H411 IonicContact OE2-CG 3.09Å; E393-H411 IonicContact OE2-ND1 3.05Å; H407-H411 AromaticContact CD2-NE2 3.89Å; H407-H411 AromaticContact CE1-CE1 3.98Å; H407-H411 AromaticContact CE1-NE2 3.69Å; H407-H411 AromaticContact NE2-CE1 3.8Å; H407-H411 AromaticContact NE2-NE2 3.14Å; H407-H411 PolarHBondContact NE2-NE2 3.41Å; H407-H411 VanDerWaalsContact NE2-NE2 3.14Å; E408-H411 PolarHBondContact O-N 3.4Å; R409-H411 VanDerWaalsContact C-N 3.33Å; H411-E413 PolarHBondContact O-N 3.11Å
412	T	85.3	Confident	88.5	Confident	73 Å²	73	78.6 Å²	78.6	45%	0.448	40%	0.397	S	S	.	.	S	Bend	trans	-75.5	-8.6	175.3	61.1	0	0	0	0	113.6	E408 R409 E414	E408-T412 PolarHBondContact O-N 3.46Å; R409-T412 VanDerWaalsContact CA-OG1 3.31Å; R409-T412 WeakPolarHBondContact CA-OG1 3.38Å; R409-T412 PolarHBondContact O-OG1 2.9Å; T412-E414 PolarHBondContact O-N 3.12Å; T412-E414 WeakPolarHBondContact OG1-CB 3.34Å; T412-E414 WeakPolarHBondContact OG1-CG 3.44Å; T412-E414 PolarHBondContact OG1-N 3.49Å
413	E	82.8	Confident	88.6	Confident	159 Å²	159	78.1 Å²	78.1	74%	0.743	40%	0.403	S	S	*	.			trans	53.1	13.4	-168.8	-57.3	-167.7	167.1	0	0	115.5	R409 H411 K415	R409-E413 WeakPolarHBondContact O-CA 3.34Å; R409-E413 PolarHBondContact O-N 3.08Å; R409-E413 VanDerWaalsContact O-N 3.11Å; H411-E413 PolarHBondContact O-N 3.11Å; E413-K415 PolarHBondContact O-N 3.31Å
414	E	85.5	Confident	88.7	Confident	110 Å²	110	81.5 Å²	81.5	51%	0.514	41%	0.413	S	S	.	.			trans	-63.1	122.7	178.1	-74.6	-176.2	-178.7	0	0	111.3	R409 T412 P416	R409-E414 PolarHBondContact O-N 3.4Å; T412-E414 PolarHBondContact O-N 3.12Å; T412-E414 WeakPolarHBondContact OG1-CB 3.34Å; T412-E414 WeakPolarHBondContact OG1-CG 3.44Å; T412-E414 PolarHBondContact OG1-N 3.49Å; E414-P416 WeakPolarHBondContact O-CD 3.5Å
415	K	88.7	Confident	88.7	Confident	116 Å²	116	82.6 Å²	82.6	50%	0.504	42%	0.424	S	S	.	.			trans	-123.5	79.5	175.9	-68.8	167.8	-176	172.4	0	109.6	E413 Y417 A425 F426 V427	E413-K415 PolarHBondContact O-N 3.31Å; K415-Y417 PolarHBondContact O-N 2.91Å; K415-A425 HydrophobicContact CB-CB 3.47Å; K415-A425 VanDerWaalsContact CB-CB 3.47Å; K415-A425 HydrophobicContact CD-CB 4.16Å; K415-A425 WeakPolarHBondContact CD-O 3.4Å; K415-A425 HydrophobicContact CG-CB 4.42Å; K415-F426 CarbonylContact C-O 3.24Å; K415-F426 WeakPolarHBondContact CA-O 3.42Å; K415-V427 HydrophobicContact CG-CG2 4Å
416	P	89.4	Confident	88.7	Confident	68 Å²	68	80.1 Å²	80.1	44%	0.442	41%	0.411	S	S	.	.			trans	-65.2	-16.6	-171.2	-24.2	36.3	0	0	0	114.4	E414	E414-P416 WeakPolarHBondContact O-CD 3.5Å
417	Y	91.9	Very high	88.8	Confident	76 Å²	76	79.5 Å²	79.5	30%	0.298	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	93	-172.2	-53.8	-72.7	0	0	0	110.4	K415 A425 F426 V427 Q428 H429	K415-Y417 PolarHBondContact O-N 2.91Å; Y417-A425 CarbonylContact O-C 3.59Å; Y417-A425 WeakPolarHBondContact O-CA 3.33Å; Y417-F426 WeakPolarHBondContact CB-O 3.48Å; Y417-F426 WeakPolarHBondContact CD2-O 3.38Å; Y417-F426 PolarHBondContact N-O 3.04Å; Y417-F426 PolarHBondContact O-N 3.33Å; Y417-V427 WeakPolarHBondContact CD2-O 3.25Å; Y417-V427 VanDerWaalsContact CE2-O 3.31Å; Y417-V427 WeakPolarHBondContact CE2-O 3.28Å; Y417-Q428 VanDerWaalsContact CD2-C 3.44Å; Y417-H429 HydrophobicContact CD1-CB 3.98Å; Y417-H429 AromaticContact CD1-CD2 3.97Å; Y417-H429 HydrophobicContact CD2-CB 4.43Å; Y417-H429 HydrophobicContact CE1-CB 3.83Å; Y417-H429 HydrophobicContact CE2-CB 4.27Å; Y417-H429 HydrophobicContact CG-CB 4.27Å
418	A	91.4	Very high	88.8	Confident	63 Å²	63	81.5 Å²	81.5	52%	0.521	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	138.2	178.6	0	0	0	0	0	112.5	A425	A418-A425 HydrophobicContact CB-CB 4.41Å
419	C	93.1	Very high	88.7	Confident	2 Å²	2	82.9 Å²	82.9	1%	0.014	42%	0.424	C	S	.	.			trans	-78.7	121.1	168.2	-175.5	0	0	0	0	109.5	E421 G423 K424 L432	C419-E421 VanDerWaalsContact C-N 3.26Å; C419-E421 PolarHBondContact O-N 3.03Å; C419-G423 WeakPolarHBondContact O-CA 3.47Å; C419-G423 PolarHBondContact O-N 3.44Å; C419-K424 WeakPolarHBondContact CB-O 3.48Å; C419-K424 PolarHBondContact N-O 3.12Å; C419-L432 HydrophobicContact CB-CD1 3.67Å
420	Y	89.7	Confident	88.7	Confident	231 Å²	231	84.5 Å²	84.5	91%	0.906	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-29.5	179.5	-170.4	-95.5	0	0	0	112.7
421	E	88.6	Confident	88.9	Confident	122 Å²	122	83.6 Å²	83.6	57%	0.57	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-33	-174	-64.1	-174.3	-150.3	0	0	114.3	C419 H439	C419-E421 VanDerWaalsContact C-N 3.26Å; C419-E421 PolarHBondContact O-N 3.03Å; E421-H439 WeakPolarHBondContact OE2-CB 3.4Å; E421-H439 IonicContact OE2-CD2 3.9Å; E421-H439 IonicContact OE2-CG 3.53Å; E421-H439 IonicContact OE2-ND1 2.94Å
422	C	91.3	Very high	89.1	Confident	56 Å²	56	81.2 Å²	81.2	38%	0.378	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.7	6.6	-179.5	70.9	0	0	0	0	114.9	K424 H435 H439	C422-K424 PolarHBondContact O-N 3.2Å; C422-H435 PolarHBondContact SG-NE2 3.38Å; C422-H439 PolarHBondContact SG-NE2 3.33Å
423	G	87.6	Confident	89.3	Confident	58 Å²	58	80.7 Å²	80.7	60%	0.598	42%	0.417	S	S	*	.			trans	69	-0.9	179	0	0	0	0	0	115.1	C419 A425	C419-G423 WeakPolarHBondContact O-CA 3.47Å; C419-G423 PolarHBondContact O-N 3.44Å; G423-A425 PolarHBondContact O-N 3.43Å
424	K	90.2	Very high	89.6	Confident	127 Å²	127	77.1 Å²	77.1	55%	0.552	40%	0.401	S	S	*	.			trans	-67.6	126.9	179.7	-72.7	-178.2	-177.6	177	0	110.6	C419 C422 F426	C419-K424 WeakPolarHBondContact CB-O 3.48Å; C419-K424 PolarHBondContact N-O 3.12Å; C422-K424 PolarHBondContact O-N 3.2Å; K424-F426 HydrophobicContact CB-CE2 3.99Å; K424-F426 HydrophobicContact CB-CZ 4.12Å; K424-F426 WeakPolarHBondContact O-CE2 3.49Å
425	A	91.9	Very high	89.8	Confident	38 Å²	38	73.1 Å²	73.1	31%	0.314	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	146.6	-179.6	0	0	0	0	0	112.5	K415 Y417 A418 G423	K415-A425 HydrophobicContact CB-CB 3.47Å; K415-A425 VanDerWaalsContact CB-CB 3.47Å; K415-A425 HydrophobicContact CD-CB 4.16Å; K415-A425 WeakPolarHBondContact CD-O 3.4Å; K415-A425 HydrophobicContact CG-CB 4.42Å; Y417-A425 CarbonylContact O-C 3.59Å; Y417-A425 WeakPolarHBondContact O-CA 3.33Å; A418-A425 HydrophobicContact CB-CB 4.41Å; G423-A425 PolarHBondContact O-N 3.43Å
426	F	89.6	Confident	89.9	Confident	44 Å²	44	70.8 Å²	70.8	19%	0.193	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	148.7	-176	-59	-89.6	0	0	0	111.2	K415 Y417 K424 Q428 H431 L432 H435	K415-F426 CarbonylContact C-O 3.24Å; K415-F426 WeakPolarHBondContact CA-O 3.42Å; Y417-F426 WeakPolarHBondContact CB-O 3.48Å; Y417-F426 WeakPolarHBondContact CD2-O 3.38Å; Y417-F426 PolarHBondContact N-O 3.04Å; Y417-F426 PolarHBondContact O-N 3.33Å; K424-F426 HydrophobicContact CB-CE2 3.99Å; K424-F426 HydrophobicContact CB-CZ 4.12Å; K424-F426 WeakPolarHBondContact O-CE2 3.49Å; F426-Q428 VanDerWaalsContact C-N 3.34Å; F426-H431 HydrophobicContact CB-CB 4.21Å; F426-H431 HydrophobicContact CD1-CB 3.83Å; F426-H431 HydrophobicContact CG-CB 4.23Å; F426-L432 HydrophobicContact CB-CB 4.49Å; F426-L432 HydrophobicContact CD2-CB 4Å; F426-L432 HydrophobicContact CD2-CD1 3.95Å; F426-L432 HydrophobicContact CE2-CD1 4.13Å; F426-L432 HydrophobicContact CG-CB 4.45Å; F426-H435 HydrophobicContact CE1-CB 4.03Å; F426-H435 HydrophobicContact CE2-CB 3.78Å; F426-H435 AromaticContact CE2-CD2 3.36Å; F426-H435 WeakPolarHBondContact CE2-CD2 3.41Å; F426-H435 AromaticContact CE2-CG 3.59Å; F426-H435 HydrophobicContact CZ-CB 3.4Å; F426-H435 AromaticContact CZ-CD2 3.49Å; F426-H435 VanDerWaalsContact CZ-CD2 3.49Å; F426-H435 WeakPolarHBondContact CZ-CD2 3.34Å; F426-H435 AromaticContact CZ-CG 3.23Å; F426-H435 AromaticContact CZ-ND1 3.8Å
427	V	88.1	Confident	89.9	Confident	33 Å²	33	70 Å²	70	20%	0.2	36%	0.361	C	S	.	.	S	Bend	trans	-73.3	-28.5	176.4	179.2	0	0	0	0	111.9	R409 K415 Y417	R409-V427 HydrophobicContact CB-CG1 3.62Å; R409-V427 HydrophobicContact CG-CG1 4.36Å; R409-V427 PolarHBondContact NH1-O 3.41Å; R409-V427 VanDerWaalsContact NH1-O 3.14Å; K415-V427 HydrophobicContact CG-CG2 4Å; Y417-V427 WeakPolarHBondContact CD2-O 3.25Å; Y417-V427 VanDerWaalsContact CE2-O 3.31Å; Y417-V427 WeakPolarHBondContact CE2-O 3.28Å
428	Q	88.9	Confident	89.8	Confident	60 Å²	60	71.4 Å²	71.4	28%	0.28	38%	0.377	S	S	.	.	S	Bend	trans	-124.8	139.3	-176.9	-63.9	-177.2	-13.4	0	0	111.6	N406 Y417 F426 S430 H431 L432	N406-Q428 PolarHBondContact ND2-NE2 3.24Å; Y417-Q428 VanDerWaalsContact CD2-C 3.44Å; F426-Q428 VanDerWaalsContact C-N 3.34Å; Q428-S430 VanDerWaalsContact C-N 3.33Å; Q428-S430 PolarHBondContact O-N 3.38Å; Q428-H431 PolarHBondContact O-N 3.38Å; Q428-H431 PolarHBondContact OE1-CE1 3.22Å; Q428-H431 PolarHBondContact OE1-NE2 3.26Å; Q428-L432 PolarHBondContact O-N 3.37Å
429	H	88.1	Confident	89.7	Confident	100 Å²	100	71.7 Å²	71.7	46%	0.463	37%	0.368	S	S	.	.	H	α-helix	trans	-61.4	-38.5	178.2	-176.7	-105.3	0	0	0	112.8	Y417 H431 L432 I433	Y417-H429 HydrophobicContact CD1-CB 3.98Å; Y417-H429 AromaticContact CD1-CD2 3.97Å; Y417-H429 HydrophobicContact CD2-CB 4.43Å; Y417-H429 HydrophobicContact CE1-CB 3.83Å; Y417-H429 HydrophobicContact CE2-CB 4.27Å; Y417-H429 HydrophobicContact CG-CB 4.27Å; H429-H431 PolarHBondContact O-N 3.39Å; H429-L432 WeakPolarHBondContact O-CB 3.47Å; H429-L432 PolarHBondContact O-N 3.24Å; H429-I433 WeakPolarHBondContact O-CG1 3.48Å; H429-I433 PolarHBondContact O-N 3.03Å
430	S	87.9	Confident	89.4	Confident	69 Å²	69	75.4 Å²	75.4	48%	0.483	39%	0.391	S	S	.	.	H	α-helix	trans	-57.5	-36.9	176.5	50.4	0	0	0	0	112.9	Q428 Q434	Q428-S430 VanDerWaalsContact C-N 3.33Å; Q428-S430 PolarHBondContact O-N 3.38Å; S430-Q434 WeakPolarHBondContact O-CB 3.49Å; S430-Q434 PolarHBondContact O-N 2.79Å
431	H	89.5	Confident	89.3	Confident	86 Å²	86	66.7 Å²	66.7	40%	0.398	37%	0.371	S	S	.	.	H	α-helix	trans	-71.7	-35.6	176.5	-63	157.8	0	0	0	112	F426 Q428 H429 Q434 H435	F426-H431 HydrophobicContact CB-CB 4.21Å; F426-H431 HydrophobicContact CD1-CB 3.83Å; F426-H431 HydrophobicContact CG-CB 4.23Å; Q428-H431 PolarHBondContact O-N 3.38Å; Q428-H431 PolarHBondContact OE1-CE1 3.22Å; Q428-H431 PolarHBondContact OE1-NE2 3.26Å; H429-H431 PolarHBondContact O-N 3.39Å; H431-Q434 PolarHBondContact O-N 3.18Å; H431-H435 WeakPolarHBondContact O-CB 3.33Å; H431-H435 PolarHBondContact O-N 2.76Å
432	L	91.8	Very high	89.3	Confident	14 Å²	14	66.3 Å²	66.3	7%	0.073	37%	0.369	C	S	.	.	H	α-helix	trans	-61.9	-49.8	171.9	173	61.9	0	0	0	110.9	C419 F426 Q428 H429 Q434 H435 Q436	C419-L432 HydrophobicContact CB-CD1 3.67Å; F426-L432 HydrophobicContact CB-CB 4.49Å; F426-L432 HydrophobicContact CD2-CB 4Å; F426-L432 HydrophobicContact CD2-CD1 3.95Å; F426-L432 HydrophobicContact CE2-CD1 4.13Å; F426-L432 HydrophobicContact CG-CB 4.45Å; Q428-L432 PolarHBondContact O-N 3.37Å; H429-L432 WeakPolarHBondContact O-CB 3.47Å; H429-L432 PolarHBondContact O-N 3.24Å; L432-Q434 VanDerWaalsContact C-N 3.31Å; L432-Q434 PolarHBondContact O-N 3.41Å; L432-H435 CarbonylContact O-C 3.21Å; L432-H435 WeakPolarHBondContact O-CA 3.46Å; L432-H435 WeakPolarHBondContact O-CB 3.38Å; L432-H435 PolarHBondContact O-N 3.06Å; L432-Q436 HydrophobicContact CD1-CG 4.22Å; L432-Q436 WeakPolarHBondContact O-CG 3.41Å; L432-Q436 PolarHBondContact O-N 2.81Å
433	I	89.1	Confident	89.3	Confident	63 Å²	63	69 Å²	69	32%	0.323	38%	0.375	S	S	.	.	H	α-helix	trans	-59.5	-42.7	177.9	-62.2	-57	0	0	0	111.2	H429 H435 Q436	H429-I433 WeakPolarHBondContact O-CG1 3.48Å; H429-I433 PolarHBondContact O-N 3.03Å; I433-H435 VanDerWaalsContact C-N 3.3Å; I433-H435 PolarHBondContact O-N 3.41Å; I433-Q436 PolarHBondContact O-N 3.05Å
434	Q	88.5	Confident	89.4	Confident	84 Å²	84	69.7 Å²	69.7	39%	0.393	37%	0.368	S	S	.	.	H	α-helix	trans	-63.4	-39.3	175.5	-176.2	-177.6	11.5	0	0	111.8	S430 H431 L432 R437	S430-Q434 WeakPolarHBondContact O-CB 3.49Å; S430-Q434 PolarHBondContact O-N 2.79Å; H431-Q434 PolarHBondContact O-N 3.18Å; L432-Q434 VanDerWaalsContact C-N 3.31Å; L432-Q434 PolarHBondContact O-N 3.41Å; Q434-R437 WeakPolarHBondContact O-CB 2.91Å; Q434-R437 PolarHBondContact O-N 3.49Å
435	H	90.6	Very high	89.6	Confident	26 Å²	26	66.9 Å²	66.9	12%	0.12	36%	0.355	C	S	.	.	H	α-helix	trans	-68.2	-38.7	178.9	168.8	64.2	0	0	0	112.5	C422 F426 H431 L432 I433 R437 V438 H439	C422-H435 PolarHBondContact SG-NE2 3.38Å; F426-H435 HydrophobicContact CE1-CB 4.03Å; F426-H435 HydrophobicContact CE2-CB 3.78Å; F426-H435 AromaticContact CE2-CD2 3.36Å; F426-H435 WeakPolarHBondContact CE2-CD2 3.41Å; F426-H435 AromaticContact CE2-CG 3.59Å; F426-H435 HydrophobicContact CZ-CB 3.4Å; F426-H435 AromaticContact CZ-CD2 3.49Å; F426-H435 VanDerWaalsContact CZ-CD2 3.49Å; F426-H435 WeakPolarHBondContact CZ-CD2 3.34Å; F426-H435 AromaticContact CZ-CG 3.23Å; F426-H435 AromaticContact CZ-ND1 3.8Å; H431-H435 WeakPolarHBondContact O-CB 3.33Å; H431-H435 PolarHBondContact O-N 2.76Å; L432-H435 CarbonylContact O-C 3.21Å; L432-H435 WeakPolarHBondContact O-CA 3.46Å; L432-H435 WeakPolarHBondContact O-CB 3.38Å; L432-H435 PolarHBondContact O-N 3.06Å; I433-H435 VanDerWaalsContact C-N 3.3Å; I433-H435 PolarHBondContact O-N 3.41Å; H435-R437 PolarHBondContact O-N 2.95Å; H435-R437 VanDerWaalsContact O-N 3.11Å; H435-V438 WeakPolarHBondContact O-CB 3.41Å; H435-V438 WeakPolarHBondContact O-CG2 3.36Å; H435-V438 PolarHBondContact O-N 3.2Å; H435-H439 AromaticContact CE1-NE2 3.63Å; H435-H439 AromaticContact NE2-CD2 3.98Å; H435-H439 AromaticContact NE2-NE2 3.29Å; H435-H439 PolarHBondContact NE2-NE2 3.26Å
436	Q	89.8	Confident	89.6	Confident	67 Å²	67	69.1 Å²	69.1	31%	0.313	36%	0.364	S	S	.	.	H	α-helix	trans	-56.1	-29.4	176.4	-76.2	173.9	-31.8	0	0	112.7	L432 I433 V438 H439 T440	L432-Q436 HydrophobicContact CD1-CG 4.22Å; L432-Q436 WeakPolarHBondContact O-CG 3.41Å; L432-Q436 PolarHBondContact O-N 2.81Å; I433-Q436 PolarHBondContact O-N 3.05Å; Q436-V438 PolarHBondContact O-N 2.94Å; Q436-V438 VanDerWaalsContact O-N 3.17Å; Q436-H439 WeakPolarHBondContact O-CB 3.38Å; Q436-H439 PolarHBondContact O-N 3.21Å; Q436-T440 PolarHBondContact O-N 3.47Å; Q436-T440 VanDerWaalsContact O-N 3.11Å
437	R	90.8	Very high	89.8	Confident	51 Å²	51	67.1 Å²	67.1	19%	0.192	36%	0.355	C	S	.	.	H	α-helix	trans	-62.4	-21.1	173.8	-61.4	178	-176.9	165.6	1	114.3	Q434 H435 H439 T440 G441 E442 S455	Q434-R437 WeakPolarHBondContact O-CB 2.91Å; Q434-R437 PolarHBondContact O-N 3.49Å; H435-R437 PolarHBondContact O-N 2.95Å; H435-R437 VanDerWaalsContact O-N 3.11Å; R437-H439 VanDerWaalsContact C-N 3.27Å; R437-T440 WeakPolarHBondContact CA-OG1 3.23Å; R437-G441 CarbonylContact O-C 3.21Å; R437-G441 WeakPolarHBondContact O-CA 3.03Å; R437-G441 PolarHBondContact O-N 3.02Å; R437-E442 HydrophobicContact CG-CB 4.34Å; R437-E442 PolarHBondContact O-N 3.26Å; R437-S455 PolarHBondContact NH1-O 3.22Å
438	V	88.9	Confident	89.9	Confident	106 Å²	106	69.4 Å²	69.4	64%	0.642	39%	0.386	S	S	*	.	H	α-helix	trans	-68.5	-34	174	-179.4	0	0	0	0	110.4	H435 Q436	H435-V438 WeakPolarHBondContact O-CB 3.41Å; H435-V438 WeakPolarHBondContact O-CG2 3.36Å; H435-V438 PolarHBondContact O-N 3.2Å; Q436-V438 PolarHBondContact O-N 2.94Å; Q436-V438 VanDerWaalsContact O-N 3.17Å
439	H	89.2	Confident	89.9	Confident	69 Å²	69	73 Å²	73	32%	0.319	40%	0.403	S	S	.	.	H	α-helix	trans	-80.7	-47.7	178.8	-63.4	-64.8	0	0	0	112.4	E421 C422 H435 Q436 R437 G441	E421-H439 WeakPolarHBondContact OE2-CB 3.4Å; E421-H439 IonicContact OE2-CD2 3.9Å; E421-H439 IonicContact OE2-CG 3.53Å; E421-H439 IonicContact OE2-ND1 2.94Å; C422-H439 PolarHBondContact SG-NE2 3.33Å; H435-H439 AromaticContact CE1-NE2 3.63Å; H435-H439 AromaticContact NE2-CD2 3.98Å; H435-H439 AromaticContact NE2-NE2 3.29Å; H435-H439 PolarHBondContact NE2-NE2 3.26Å; Q436-H439 WeakPolarHBondContact O-CB 3.38Å; Q436-H439 PolarHBondContact O-N 3.21Å; R437-H439 VanDerWaalsContact C-N 3.27Å; H439-G441 PolarHBondContact O-N 3.44Å
440	T	87.6	Confident	90.1	Very high	80 Å²	80	71.3 Å²	71.3	49%	0.491	40%	0.401	S	S	.	.	H	α-helix	trans	-73.7	-16.3	180	63.7	0	0	0	0	112.8	Q436 R437 E442	Q436-T440 PolarHBondContact O-N 3.47Å; Q436-T440 VanDerWaalsContact O-N 3.11Å; R437-T440 WeakPolarHBondContact CA-OG1 3.23Å; T440-E442 PolarHBondContact O-N 2.85Å; T440-E442 WeakPolarHBondContact OG1-CG 3.41Å; T440-E442 PolarHBondContact OG1-N 3.44Å
441	G	86.8	Confident	90.1	Very high	48 Å²	48	70.4 Å²	70.4	50%	0.495	40%	0.403	S	S	.	.			trans	71	5.9	-174.4	0	0	0	0	0	113.8	R437 H439 K443	R437-G441 CarbonylContact O-C 3.21Å; R437-G441 WeakPolarHBondContact O-CA 3.03Å; R437-G441 PolarHBondContact O-N 3.02Å; H439-G441 PolarHBondContact O-N 3.44Å; G441-K443 PolarHBondContact O-N 3.21Å
442	E	89.4	Confident	90.2	Very high	113 Å²	113	71.2 Å²	71.2	53%	0.528	41%	0.407	S	S	.	.			trans	-60.7	125	-179.5	-77.1	-176.6	-177.8	0	0	111.6	R437 T440 P444	R437-E442 HydrophobicContact CG-CB 4.34Å; R437-E442 PolarHBondContact O-N 3.26Å; T440-E442 PolarHBondContact O-N 2.85Å; T440-E442 WeakPolarHBondContact OG1-CG 3.41Å; T440-E442 PolarHBondContact OG1-N 3.44Å; E442-P444 WeakPolarHBondContact O-CD 3.4Å
443	K	91	Very high	90.2	Very high	114 Å²	114	71.8 Å²	71.8	50%	0.496	41%	0.413	S	S	.	.			trans	-125.5	78.4	177.1	-69.9	172.4	178.3	-177.3	0	110.1	G441 Y445 A453 F454	G441-K443 PolarHBondContact O-N 3.21Å; K443-Y445 PolarHBondContact O-N 3.05Å; K443-Y445 VanDerWaalsContact O-N 3.1Å; K443-A453 HydrophobicContact CB-CB 3.53Å; K443-A453 HydrophobicContact CD-CB 4.11Å; K443-A453 HydrophobicContact CG-CB 4.46Å; K443-F454 CarbonylContact C-O 3.53Å; K443-F454 VanDerWaalsContact C-O 3.28Å; K443-F454 VanDerWaalsContact CA-O 3.3Å; K443-F454 WeakPolarHBondContact CA-O 3.27Å
444	P	90.5	Very high	90.2	Very high	71 Å²	71	70.4 Å²	70.4	46%	0.461	41%	0.405	S	S	.	.			trans	-66.6	-14.3	-172.1	-21.7	34.1	0	0	0	114.7	E442	E442-P444 WeakPolarHBondContact O-CD 3.4Å
445	Y	92.8	Very high	90.2	Very high	69 Å²	69	68.4 Å²	68.4	27%	0.271	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	100.2	-173.3	-54.8	-76.1	0	0	0	109.8	K443 A453 F454 A456 R457	K443-Y445 PolarHBondContact O-N 3.05Å; K443-Y445 VanDerWaalsContact O-N 3.1Å; Y445-A453 CarbonylContact O-C 3.59Å; Y445-A453 WeakPolarHBondContact O-CA 3.25Å; Y445-F454 WeakPolarHBondContact CD2-O 3.41Å; Y445-F454 PolarHBondContact N-O 3.09Å; Y445-F454 PolarHBondContact O-N 3.1Å; Y445-A456 VanDerWaalsContact CD2-C 3.4Å; Y445-R457 HydrophobicContact CD1-CB 3.97Å; Y445-R457 HydrophobicContact CD1-CG 4.37Å; Y445-R457 HydrophobicContact CE1-CB 3.74Å; Y445-R457 HydrophobicContact CE1-CG 4.32Å; Y445-R457 HydrophobicContact CE2-CB 4.37Å; Y445-R457 HydrophobicContact CG-CB 4.38Å
446	V	91.6	Very high	90.1	Very high	84 Å²	84	67.7 Å²	67.7	51%	0.509	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	133.3	-177.8	-175.2	0	0	0	0	109.9	G448 A453	V446-G448 PolarHBondContact O-N 3.04Å; V446-A453 HydrophobicContact CG2-CB 4.04Å
447	C	94	Very high	90	Very high	2 Å²	2	69.7 Å²	69.7	1%	0.014	40%	0.403	C	S	.	.			trans	-72.2	124.1	171.8	179.5	0	0	0	0	110.1	E449 G451 H452 L460 H467	C447-E449 PolarHBondContact O-N 3.46Å; C447-G451 WeakPolarHBondContact O-CA 3.33Å; C447-G451 PolarHBondContact O-N 3.26Å; C447-H452 WeakPolarHBondContact CB-O 3.48Å; C447-H452 PolarHBondContact N-O 3.44Å; C447-L460 HydrophobicContact CB-CD1 3.63Å; C447-H467 PolarHBondContact SG-NE2 2.85Å
448	G	90.9	Very high	89.9	Confident	81 Å²	81	77 Å²	77	84%	0.835	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-26.1	179.8	0	0	0	0	0	114	V446	V446-G448 PolarHBondContact O-N 3.04Å
449	E	89.8	Confident	90	Very high	137 Å²	137	74.1 Å²	74.1	64%	0.64	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-41.1	-174.6	-63.9	-173	-158.2	0	0	113.9	C447 H467	C447-E449 PolarHBondContact O-N 3.46Å; E449-H467 WeakPolarHBondContact OE2-CB 3.42Å; E449-H467 IonicContact OE2-CD2 3.93Å; E449-H467 IonicContact OE2-CG 2.94Å; E449-H467 IonicContact OE2-ND1 3.2Å
450	C	91.8	Very high	90.1	Very high	64 Å²	64	71.8 Å²	71.8	43%	0.432	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117	0.9	-176.4	70.1	0	0	0	0	114.1	H452 H463	C450-H452 PolarHBondContact O-N 3.02Å; C450-H452 WeakPolarHBondContact SG-CB 3.24Å; C450-H463 PolarHBondContact SG-NE2 2.79Å
451	G	88.4	Confident	90.2	Very high	50 Å²	50	70.6 Å²	70.6	52%	0.515	40%	0.395	S	S	.	.			trans	68.5	0.2	-178.3	0	0	0	0	0	114.8	C447 A453	C447-G451 WeakPolarHBondContact O-CA 3.33Å; C447-G451 PolarHBondContact O-N 3.26Å; G451-A453 PolarHBondContact O-N 3.3Å
452	H	90.3	Very high	90.3	Very high	103 Å²	103	72.1 Å²	72.1	48%	0.477	39%	0.39	S	S	.	.			trans	-70.3	130.3	-177.8	-157.5	-66.7	0	0	0	110.8	C447 C450 F454	C447-H452 WeakPolarHBondContact CB-O 3.48Å; C447-H452 PolarHBondContact N-O 3.44Å; C450-H452 PolarHBondContact O-N 3.02Å; C450-H452 WeakPolarHBondContact SG-CB 3.24Å; H452-F454 HydrophobicContact CB-CE2 4.29Å; H452-F454 HydrophobicContact CB-CZ 4.41Å; H452-F454 AromaticContact ND1-CE2 3.94Å; H452-F454 AromaticContact ND1-CZ 3.58Å; H452-F454 WeakPolarHBondContact O-CE2 2.79Å
453	A	91.9	Very high	90.4	Very high	25 Å²	25	68.2 Å²	68.2	21%	0.207	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	149.5	-174.8	0	0	0	0	0	112.9	K443 Y445 V446 G451	K443-A453 HydrophobicContact CB-CB 3.53Å; K443-A453 HydrophobicContact CD-CB 4.11Å; K443-A453 HydrophobicContact CG-CB 4.46Å; Y445-A453 CarbonylContact O-C 3.59Å; Y445-A453 WeakPolarHBondContact O-CA 3.25Å; V446-A453 HydrophobicContact CG2-CB 4.04Å; G451-A453 PolarHBondContact O-N 3.3Å
454	F	89.9	Confident	90.3	Very high	35 Å²	35	66 Å²	66	15%	0.154	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	148.2	-178.1	-59.2	-86.5	0	0	0	111.5	K443 Y445 H452 A456 L460 H463	K443-F454 CarbonylContact C-O 3.53Å; K443-F454 VanDerWaalsContact C-O 3.28Å; K443-F454 VanDerWaalsContact CA-O 3.3Å; K443-F454 WeakPolarHBondContact CA-O 3.27Å; Y445-F454 WeakPolarHBondContact CD2-O 3.41Å; Y445-F454 PolarHBondContact N-O 3.09Å; Y445-F454 PolarHBondContact O-N 3.1Å; H452-F454 HydrophobicContact CB-CE2 4.29Å; H452-F454 HydrophobicContact CB-CZ 4.41Å; H452-F454 AromaticContact ND1-CE2 3.94Å; H452-F454 AromaticContact ND1-CZ 3.58Å; H452-F454 WeakPolarHBondContact O-CE2 2.79Å; F454-A456 VanDerWaalsContact C-N 3.3Å; F454-L460 HydrophobicContact CB-CB 4.41Å; F454-L460 HydrophobicContact CD2-CB 3.88Å; F454-L460 HydrophobicContact CD2-CD1 3.87Å; F454-L460 HydrophobicContact CD2-CG 4.49Å; F454-L460 HydrophobicContact CE2-CD1 4.03Å; F454-L460 HydrophobicContact CG-CB 4.34Å; F454-H463 HydrophobicContact CE1-CB 4Å; F454-H463 HydrophobicContact CE2-CB 3.73Å; F454-H463 AromaticContact CE2-CD2 3.65Å; F454-H463 AromaticContact CE2-CG 3.59Å; F454-H463 HydrophobicContact CZ-CB 3.35Å; F454-H463 AromaticContact CZ-CD2 3.75Å; F454-H463 AromaticContact CZ-CG 3.23Å; F454-H463 AromaticContact CZ-ND1 3.54Å
455	S	87.9	Confident	90.4	Very high	41 Å²	41	65.6 Å²	65.6	29%	0.287	35%	0.352	S	S	.	.	S	Bend	trans	-79.5	-12.8	176.5	57.2	0	0	0	0	113.3	R437	R437-S455 PolarHBondContact NH1-O 3.22Å
456	A	88.2	Confident	90.2	Very high	11 Å²	11	68.3 Å²	68.3	9%	0.091	37%	0.37	C	S	.	.	S	Bend	trans	-138.7	138.5	-178.2	0	0	0	0	0	112.5	Y445 F454 R458 S459 L460	Y445-A456 VanDerWaalsContact CD2-C 3.4Å; F454-A456 VanDerWaalsContact C-N 3.3Å; A456-R458 VanDerWaalsContact C-N 3.32Å; A456-R458 PolarHBondContact O-N 2.91Å; A456-S459 WeakPolarHBondContact O-CB 3.28Å; A456-S459 PolarHBondContact O-N 3.13Å; A456-S459 VanDerWaalsContact O-N 3.08Å; A456-L460 PolarHBondContact O-N 2.85Å
457	R	89.3	Confident	90.1	Very high	109 Å²	109	67.6 Å²	67.6	41%	0.411	36%	0.361	S	S	.	.	H	α-helix	trans	-58	-40	179.8	-173.9	175.1	-178.8	147.6	1.1	113.1	Y445 S459 L460 I461	Y445-R457 HydrophobicContact CD1-CB 3.97Å; Y445-R457 HydrophobicContact CD1-CG 4.37Å; Y445-R457 HydrophobicContact CE1-CB 3.74Å; Y445-R457 HydrophobicContact CE1-CG 4.32Å; Y445-R457 HydrophobicContact CE2-CB 4.37Å; Y445-R457 HydrophobicContact CG-CB 4.38Å; R457-S459 VanDerWaalsContact C-N 3.26Å; R457-S459 PolarHBondContact O-N 3.05Å; R457-L460 WeakPolarHBondContact O-CB 3.33Å; R457-L460 PolarHBondContact O-N 2.94Å; R457-I461 HydrophobicContact CG-CD1 4.04Å; R457-I461 HydrophobicContact CG-CG1 4.47Å; R457-I461 WeakPolarHBondContact O-CG1 3.4Å; R457-I461 PolarHBondContact O-N 2.97Å
458	R	87.8	Confident	89.8	Confident	205 Å²	205	71.1 Å²	71.1	77%	0.774	38%	0.383	S	S	*	.	H	α-helix	trans	-56.9	-41.2	176.6	174.4	-178.3	-67.9	-150.5	-0.4	112	A456 L460 I461 Q462	A456-R458 VanDerWaalsContact C-N 3.32Å; A456-R458 PolarHBondContact O-N 2.91Å; R458-L460 VanDerWaalsContact C-N 3.35Å; R458-I461 PolarHBondContact O-N 3.32Å; R458-Q462 VanDerWaalsContact O-CB 3.31Å; R458-Q462 WeakPolarHBondContact O-CB 3.43Å; R458-Q462 PolarHBondContact O-N 2.81Å
459	S	90.3	Very high	89.6	Confident	46 Å²	46	69.4 Å²	69.4	32%	0.322	37%	0.365	S	S	.	.	H	α-helix	trans	-68	-37.3	-179.4	-57	0	0	0	0	111.4	A456 R457 Q462 H463	A456-S459 WeakPolarHBondContact O-CB 3.28Å; A456-S459 PolarHBondContact O-N 3.13Å; A456-S459 VanDerWaalsContact O-N 3.08Å; R457-S459 VanDerWaalsContact C-N 3.26Å; R457-S459 PolarHBondContact O-N 3.05Å; S459-Q462 PolarHBondContact O-N 3.13Å; S459-H463 VanDerWaalsContact O-CB 3.3Å; S459-H463 WeakPolarHBondContact O-CB 3.45Å; S459-H463 PolarHBondContact O-N 3.07Å
460	L	92.3	Very high	89.5	Confident	19 Å²	19	68.3 Å²	68.3	10%	0.099	36%	0.36	C	S	.	.	H	α-helix	trans	-62.2	-52.8	172	173	61	0	0	0	111.3	C447 F454 A456 R457 R458 Q462 H463 E464	C447-L460 HydrophobicContact CB-CD1 3.63Å; F454-L460 HydrophobicContact CB-CB 4.41Å; F454-L460 HydrophobicContact CD2-CB 3.88Å; F454-L460 HydrophobicContact CD2-CD1 3.87Å; F454-L460 HydrophobicContact CD2-CG 4.49Å; F454-L460 HydrophobicContact CE2-CD1 4.03Å; F454-L460 HydrophobicContact CG-CB 4.34Å; A456-L460 PolarHBondContact O-N 2.85Å; R457-L460 WeakPolarHBondContact O-CB 3.33Å; R457-L460 PolarHBondContact O-N 2.94Å; R458-L460 VanDerWaalsContact C-N 3.35Å; L460-Q462 PolarHBondContact O-N 3.41Å; L460-H463 CarbonylContact O-C 3.31Å; L460-H463 WeakPolarHBondContact O-CA 3.45Å; L460-H463 WeakPolarHBondContact O-CB 3.19Å; L460-H463 PolarHBondContact O-N 3.13Å; L460-E464 HydrophobicContact CD1-CG 4.04Å; L460-E464 HydrophobicContact CG-CG 4.41Å; L460-E464 WeakPolarHBondContact O-CG 3.44Å; L460-E464 PolarHBondContact O-N 3.13Å
461	I	89.7	Confident	89.5	Confident	56 Å²	56	71.2 Å²	71.2	29%	0.287	37%	0.365	S	S	.	.	H	α-helix	trans	-57.5	-39.9	179	-65.8	168.9	0	0	0	111.3	R457 R458 H463	R457-I461 HydrophobicContact CG-CD1 4.04Å; R457-I461 HydrophobicContact CG-CG1 4.47Å; R457-I461 WeakPolarHBondContact O-CG1 3.4Å; R457-I461 PolarHBondContact O-N 2.97Å; R458-I461 PolarHBondContact O-N 3.32Å; I461-H463 VanDerWaalsContact C-N 3.34Å
462	Q	89.5	Confident	89.5	Confident	80 Å²	80	72.5 Å²	72.5	37%	0.374	36%	0.364	S	S	.	.	H	α-helix	trans	-65.1	-39.3	175.5	169.1	173.9	2.6	0	0	112.2	R458 S459 L460 R465 L484	R458-Q462 VanDerWaalsContact O-CB 3.31Å; R458-Q462 WeakPolarHBondContact O-CB 3.43Å; R458-Q462 PolarHBondContact O-N 2.81Å; S459-Q462 PolarHBondContact O-N 3.13Å; L460-Q462 PolarHBondContact O-N 3.41Å; Q462-R465 WeakPolarHBondContact O-CB 3.48Å; Q462-L484 VanDerWaalsContact CD-CD2 3.47Å; Q462-L484 HydrophobicContact CG-CD2 3.78Å
463	H	90.7	Very high	89.6	Confident	31 Å²	31	70.4 Å²	70.4	14%	0.144	35%	0.354	C	S	.	.	H	α-helix	trans	-69.2	-39.3	178	168.9	82.7	0	0	0	112	C450 F454 S459 L460 I461 R465 I466 H467	C450-H463 PolarHBondContact SG-NE2 2.79Å; F454-H463 HydrophobicContact CE1-CB 4Å; F454-H463 HydrophobicContact CE2-CB 3.73Å; F454-H463 AromaticContact CE2-CD2 3.65Å; F454-H463 AromaticContact CE2-CG 3.59Å; F454-H463 HydrophobicContact CZ-CB 3.35Å; F454-H463 AromaticContact CZ-CD2 3.75Å; F454-H463 AromaticContact CZ-CG 3.23Å; F454-H463 AromaticContact CZ-ND1 3.54Å; S459-H463 VanDerWaalsContact O-CB 3.3Å; S459-H463 WeakPolarHBondContact O-CB 3.45Å; S459-H463 PolarHBondContact O-N 3.07Å; L460-H463 CarbonylContact O-C 3.31Å; L460-H463 WeakPolarHBondContact O-CA 3.45Å; L460-H463 WeakPolarHBondContact O-CB 3.19Å; L460-H463 PolarHBondContact O-N 3.13Å; I461-H463 VanDerWaalsContact C-N 3.34Å; H463-R465 PolarHBondContact O-N 3.42Å; H463-R465 VanDerWaalsContact O-N 3.11Å; H463-I466 WeakPolarHBondContact O-CB 3.33Å; H463-I466 VanDerWaalsContact O-CG1 3.3Å; H463-I466 WeakPolarHBondContact O-CG1 3.25Å; H463-I466 PolarHBondContact O-N 3.48Å; H463-H467 AromaticContact CD2-NE2 3.79Å; H463-H467 AromaticContact CE1-NE2 3.85Å; H463-H467 AromaticContact NE2-CE1 3.87Å; H463-H467 AromaticContact NE2-NE2 3.09Å; H463-H467 PolarHBondContact NE2-NE2 3.44Å
464	E	89.6	Confident	89.6	Confident	68 Å²	68	75.3 Å²	75.3	32%	0.318	37%	0.372	S	S	.	.	H	α-helix	trans	-57.2	-27.8	177.7	-73.2	169.2	162.4	0	0	112.6	L460 I466 H467 T468	L460-E464 HydrophobicContact CD1-CG 4.04Å; L460-E464 HydrophobicContact CG-CG 4.41Å; L460-E464 WeakPolarHBondContact O-CG 3.44Å; L460-E464 PolarHBondContact O-N 3.13Å; E464-I466 PolarHBondContact O-N 3.11Å; E464-I466 VanDerWaalsContact O-N 3.14Å; E464-H467 PolarHBondContact O-N 3.42Å; E464-T468 PolarHBondContact O-N 3.07Å; E464-T468 VanDerWaalsContact O-N 3.08Å; E464-T468 PolarHBondContact O-OG1 2.94Å
465	R	91.3	Very high	89.7	Confident	61 Å²	61	73.7 Å²	73.7	23%	0.23	37%	0.366	C	S	.	.	H	α-helix	trans	-61.8	-19.7	172.9	-61.9	177.9	-175.5	174.7	0.5	114.3	Q462 H463 H467 T468 G469 E470 S483	Q462-R465 WeakPolarHBondContact O-CB 3.48Å; H463-R465 PolarHBondContact O-N 3.42Å; H463-R465 VanDerWaalsContact O-N 3.11Å; R465-H467 VanDerWaalsContact C-N 3.32Å; R465-T468 WeakPolarHBondContact CA-OG1 3.18Å; R465-G469 WeakPolarHBondContact O-CA 3.48Å; R465-G469 PolarHBondContact O-N 3.48Å; R465-E470 HydrophobicContact CG-CB 4.42Å; R465-E470 PolarHBondContact O-N 2.84Å; R465-S483 PolarHBondContact NH1-O 3.34Å
466	I	89.1	Confident	89.8	Confident	126 Å²	126	78.2 Å²	78.2	65%	0.646	39%	0.391	S	S	*	.	H	α-helix	trans	-69.2	-38.5	174.8	-60.3	173.2	0	0	0	109.5	H463 E464	H463-I466 WeakPolarHBondContact O-CB 3.33Å; H463-I466 VanDerWaalsContact O-CG1 3.3Å; H463-I466 WeakPolarHBondContact O-CG1 3.25Å; H463-I466 PolarHBondContact O-N 3.48Å; E464-I466 PolarHBondContact O-N 3.11Å; E464-I466 VanDerWaalsContact O-N 3.14Å
467	H	88.9	Confident	89.9	Confident	69 Å²	69	83.4 Å²	83.4	32%	0.319	41%	0.414	S	S	.	.	H	α-helix	trans	-80.5	-44.5	-179.3	-53.1	-52.4	0	0	0	112.1	C447 E449 H463 E464 R465 G469	C447-H467 PolarHBondContact SG-NE2 2.85Å; E449-H467 WeakPolarHBondContact OE2-CB 3.42Å; E449-H467 IonicContact OE2-CD2 3.93Å; E449-H467 IonicContact OE2-CG 2.94Å; E449-H467 IonicContact OE2-ND1 3.2Å; H463-H467 AromaticContact CD2-NE2 3.79Å; H463-H467 AromaticContact CE1-NE2 3.85Å; H463-H467 AromaticContact NE2-CE1 3.87Å; H463-H467 AromaticContact NE2-NE2 3.09Å; H463-H467 PolarHBondContact NE2-NE2 3.44Å; E464-H467 PolarHBondContact O-N 3.42Å; R465-H467 VanDerWaalsContact C-N 3.32Å; H467-G469 PolarHBondContact O-N 2.95Å
468	T	88.1	Confident	90	Very high	77 Å²	77	80.7 Å²	80.7	47%	0.472	41%	0.411	S	S	.	.	H	α-helix	trans	-73.8	-16.7	178.7	65	0	0	0	0	113	E464 R465 E470	E464-T468 PolarHBondContact O-N 3.07Å; E464-T468 VanDerWaalsContact O-N 3.08Å; E464-T468 PolarHBondContact O-OG1 2.94Å; R465-T468 WeakPolarHBondContact CA-OG1 3.18Å; T468-E470 PolarHBondContact O-N 2.94Å; T468-E470 WeakPolarHBondContact OG1-CG 3.44Å; T468-E470 PolarHBondContact OG1-N 3.18Å
469	G	86.6	Confident	90	Very high	45 Å²	45	72.7 Å²	72.7	46%	0.464	39%	0.393	S	S	.	.			trans	67.9	8.5	-174.4	0	0	0	0	0	114	R465 H467 K471	R465-G469 WeakPolarHBondContact O-CA 3.48Å; R465-G469 PolarHBondContact O-N 3.48Å; H467-G469 PolarHBondContact O-N 2.95Å; G469-K471 PolarHBondContact O-N 3.36Å
470	E	89.1	Confident	90	Very high	113 Å²	113	76.6 Å²	76.6	53%	0.528	40%	0.404	S	S	.	.			trans	-60.3	124.8	-178.6	-78.6	-174.9	178.4	0	0	111.7	R465 T468 P472	R465-E470 HydrophobicContact CG-CB 4.42Å; R465-E470 PolarHBondContact O-N 2.84Å; T468-E470 PolarHBondContact O-N 2.94Å; T468-E470 WeakPolarHBondContact OG1-CG 3.44Å; T468-E470 PolarHBondContact OG1-N 3.18Å; E470-P472 WeakPolarHBondContact O-CD 3.39Å
471	K	89.9	Confident	90	Very high	126 Å²	126	77.6 Å²	77.6	55%	0.548	42%	0.415	S	S	.	.			trans	-125.2	77.7	177.4	-69.2	172.4	-177.1	-178.5	0	110.2	G469 F473 A481 F482	G469-K471 PolarHBondContact O-N 3.36Å; K471-F473 PolarHBondContact O-N 3.39Å; K471-F473 VanDerWaalsContact O-N 3.09Å; K471-A481 HydrophobicContact CB-CB 3.58Å; K471-A481 HydrophobicContact CD-CB 4.21Å; K471-A481 WeakPolarHBondContact CD-O 3.4Å; K471-F482 CarbonylContact C-O 3.51Å; K471-F482 VanDerWaalsContact C-O 3.3Å; K471-F482 WeakPolarHBondContact CA-O 3.23Å
472	P	89.5	Confident	90	Very high	76 Å²	76	77 Å²	77	49%	0.494	41%	0.41	S	S	.	.			trans	-66.4	-14.8	-171.5	-21.7	34	0	0	0	114.6	E470	E470-P472 WeakPolarHBondContact O-CD 3.39Å
473	F	91.9	Very high	89.9	Confident	59 Å²	59	75.4 Å²	75.4	26%	0.259	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	98.4	-172.2	-55.6	-73.4	0	0	0	110.3	K471 A481 F482 K485 L488	K471-F473 PolarHBondContact O-N 3.39Å; K471-F473 VanDerWaalsContact O-N 3.09Å; F473-A481 CarbonylContact O-C 3.59Å; F473-A481 WeakPolarHBondContact O-CA 3.31Å; F473-F482 HydrophobicContact CB-CB 4.47Å; F473-F482 PolarHBondContact N-O 3.5Å; F473-F482 VanDerWaalsContact N-O 3.16Å; F473-F482 PolarHBondContact O-N 3.3Å; F473-K485 HydrophobicContact CD1-CB 3.98Å; F473-K485 HydrophobicContact CD1-CG 4.32Å; F473-K485 HydrophobicContact CD2-CB 4.44Å; F473-K485 VanDerWaalsContact CD2-N 3.32Å; F473-K485 HydrophobicContact CE1-CB 3.8Å; F473-K485 HydrophobicContact CE1-CD 4.48Å; F473-K485 HydrophobicContact CE1-CG 4.3Å; F473-K485 HydrophobicContact CE2-CB 4.27Å; F473-K485 HydrophobicContact CG-CB 4.3Å; F473-K485 HydrophobicContact CZ-CB 3.94Å; F473-L488 HydrophobicContact CB-CB 4.17Å; F473-L488 HydrophobicContact CB-CD2 3.83Å
474	Q	91.5	Very high	89.8	Confident	128 Å²	128	76.1 Å²	76.1	60%	0.598	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.5	136.6	179	-165.8	175.8	16.3	0	0	111.9	G479	Q474-G479 WeakPolarHBondContact CG-O 3.49Å; Q474-G479 PolarHBondContact NE2-O 3.07Å
475	C	92.9	Very high	89.7	Confident	2 Å²	2	79.1 Å²	79.1	1%	0.014	43%	0.425	C	S	.	.			trans	-76.2	124.6	168	178.9	0	0	0	0	109.6	E477 G479 K480 F482 L488 H495	C475-E477 VanDerWaalsContact C-N 3.3Å; C475-E477 PolarHBondContact O-N 3.09Å; C475-G479 WeakPolarHBondContact O-CA 3.28Å; C475-G479 PolarHBondContact O-N 3.44Å; C475-K480 WeakPolarHBondContact CB-O 3.34Å; C475-K480 PolarHBondContact N-O 2.91Å; C475-F482 HydrophobicContact CB-CE2 4.41Å; C475-L488 HydrophobicContact CB-CD1 3.7Å; C475-H495 PolarHBondContact SG-NE2 2.81Å; C475-H495 VanDerWaalsContact SG-NE2 3.42Å
476	T	90.4	Very high	89.5	Confident	135 Å²	135	79.4 Å²	79.4	83%	0.828	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-26.2	179.2	48.8	0	0	0	0	113
477	E	89.7	Confident	89.5	Confident	120 Å²	120	76.1 Å²	76.1	56%	0.561	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-36	-174.6	-64.5	177.8	161.2	0	0	113.2	C475 H495	C475-E477 VanDerWaalsContact C-N 3.3Å; C475-E477 PolarHBondContact O-N 3.09Å; E477-H495 WeakPolarHBondContact OE2-CB 3.09Å; E477-H495 IonicContact OE2-CD2 3.36Å; E477-H495 PolarHBondContact OE2-CD2 3.42Å; E477-H495 IonicContact OE2-CG 3.09Å; E477-H495 IonicContact OE2-NE2 3.97Å
478	C	91.6	Very high	89.7	Confident	53 Å²	53	73.9 Å²	73.9	36%	0.358	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.2	3.4	-177.1	75.9	0	0	0	0	114.2	K480 H491	C478-K480 PolarHBondContact O-N 2.99Å; C478-K480 VanDerWaalsContact SG-CG 3.56Å; C478-H491 PolarHBondContact SG-NE2 3.47Å
479	G	87.9	Confident	89.7	Confident	37 Å²	37	73.9 Å²	73.9	38%	0.381	41%	0.412	S	S	.	.			trans	71.1	-5.7	178.5	0	0	0	0	0	115.5	Q474 C475 A481	Q474-G479 WeakPolarHBondContact CG-O 3.49Å; Q474-G479 PolarHBondContact NE2-O 3.07Å; C475-G479 WeakPolarHBondContact O-CA 3.28Å; C475-G479 PolarHBondContact O-N 3.44Å; G479-A481 PolarHBondContact O-N 3.09Å
480	K	90.2	Very high	89.9	Confident	127 Å²	127	73.7 Å²	73.7	55%	0.552	40%	0.402	S	S	*	.			trans	-64.2	130.6	-179	-70.1	179.9	-176.9	177.7	0	111.1	C475 C478 F482	C475-K480 WeakPolarHBondContact CB-O 3.34Å; C475-K480 PolarHBondContact N-O 2.91Å; C478-K480 PolarHBondContact O-N 2.99Å; C478-K480 VanDerWaalsContact SG-CG 3.56Å; K480-F482 HydrophobicContact CB-CE2 3.89Å; K480-F482 HydrophobicContact CB-CZ 4.05Å; K480-F482 WeakPolarHBondContact O-CE2 3.43Å
481	A	91.6	Very high	89.9	Confident	40 Å²	40	69.4 Å²	69.4	33%	0.331	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	145.8	178.9	0	0	0	0	0	112	K471 F473 G479	K471-A481 HydrophobicContact CB-CB 3.58Å; K471-A481 HydrophobicContact CD-CB 4.21Å; K471-A481 WeakPolarHBondContact CD-O 3.4Å; F473-A481 CarbonylContact O-C 3.59Å; F473-A481 WeakPolarHBondContact O-CA 3.31Å; G479-A481 PolarHBondContact O-N 3.09Å
482	F	89.9	Confident	89.9	Confident	43 Å²	43	66 Å²	66	19%	0.189	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	147.5	-177.3	-59.6	-90.8	0	0	0	111	K471 F473 C475 K480 L484 T487 L488 H491	K471-F482 CarbonylContact C-O 3.51Å; K471-F482 VanDerWaalsContact C-O 3.3Å; K471-F482 WeakPolarHBondContact CA-O 3.23Å; F473-F482 HydrophobicContact CB-CB 4.47Å; F473-F482 PolarHBondContact N-O 3.5Å; F473-F482 VanDerWaalsContact N-O 3.16Å; F473-F482 PolarHBondContact O-N 3.3Å; C475-F482 HydrophobicContact CB-CE2 4.41Å; K480-F482 HydrophobicContact CB-CE2 3.89Å; K480-F482 HydrophobicContact CB-CZ 4.05Å; K480-F482 WeakPolarHBondContact O-CE2 3.43Å; F482-L484 VanDerWaalsContact C-N 3.31Å; F482-T487 WeakPolarHBondContact CB-OG1 3.37Å; F482-L488 HydrophobicContact CB-CB 4.37Å; F482-L488 HydrophobicContact CD2-CB 3.99Å; F482-L488 HydrophobicContact CD2-CD1 3.78Å; F482-L488 HydrophobicContact CD2-CG 4.48Å; F482-L488 HydrophobicContact CE2-CD1 3.93Å; F482-L488 HydrophobicContact CG-CB 4.32Å; F482-H491 HydrophobicContact CE1-CB 4Å; F482-H491 HydrophobicContact CE2-CB 3.94Å; F482-H491 AromaticContact CE2-CD2 3.37Å; F482-H491 WeakPolarHBondContact CE2-CD2 3.21Å; F482-H491 AromaticContact CE2-CG 3.7Å; F482-H491 HydrophobicContact CZ-CB 3.47Å; F482-H491 VanDerWaalsContact CZ-CB 3.47Å; F482-H491 AromaticContact CZ-CD2 3.39Å; F482-H491 WeakPolarHBondContact CZ-CD2 3.36Å; F482-H491 AromaticContact CZ-CG 3.26Å; F482-H491 AromaticContact CZ-ND1 3.91Å
483	S	87.1	Confident	90	Very high	47 Å²	47	64.5 Å²	64.5	33%	0.329	35%	0.354	S	S	.	.	S	Bend	trans	-77	-18.6	176.6	55.9	0	0	0	0	112.9	R465	R465-S483 PolarHBondContact NH1-O 3.34Å
484	L	88	Confident	89.9	Confident	46 Å²	46	66 Å²	66	24%	0.241	37%	0.368	C	S	.	.	S	Bend	trans	-127.9	143.1	179.7	-56.4	172.6	0	0	0	112.7	Q462 F482 A486 T487 L488	Q462-L484 VanDerWaalsContact CD-CD2 3.47Å; Q462-L484 HydrophobicContact CG-CD2 3.78Å; F482-L484 VanDerWaalsContact C-N 3.31Å; L484-A486 VanDerWaalsContact C-N 3.31Å; L484-A486 PolarHBondContact O-N 3.28Å; L484-T487 HydrophobicContact CB-CG2 4.32Å; L484-T487 HydrophobicContact CD1-CG2 4.42Å; L484-T487 PolarHBondContact O-N 3.27Å; L484-T487 PolarHBondContact O-OG1 3.06Å; L484-L488 PolarHBondContact O-N 3.17Å
485	K	88.8	Confident	89.8	Confident	132 Å²	132	63.6 Å²	63.6	57%	0.574	36%	0.357	S	S	*	.	H	α-helix	trans	-63.3	-38.2	173.8	-170.6	175.3	-178.9	176.8	0	112	F473 T487 L488 I489	F473-K485 HydrophobicContact CD1-CB 3.98Å; F473-K485 HydrophobicContact CD1-CG 4.32Å; F473-K485 HydrophobicContact CD2-CB 4.44Å; F473-K485 VanDerWaalsContact CD2-N 3.32Å; F473-K485 HydrophobicContact CE1-CB 3.8Å; F473-K485 HydrophobicContact CE1-CD 4.48Å; F473-K485 HydrophobicContact CE1-CG 4.3Å; F473-K485 HydrophobicContact CE2-CB 4.27Å; F473-K485 HydrophobicContact CG-CB 4.3Å; F473-K485 HydrophobicContact CZ-CB 3.94Å; K485-T487 VanDerWaalsContact C-N 3.34Å; K485-T487 PolarHBondContact O-N 2.76Å; K485-L488 WeakPolarHBondContact O-CB 3.32Å; K485-L488 PolarHBondContact O-N 2.78Å; K485-I489 HydrophobicContact CG-CD1 4.17Å; K485-I489 WeakPolarHBondContact O-CG1 3.46Å; K485-I489 PolarHBondContact O-N 3.24Å
486	A	87.5	Confident	89.6	Confident	67 Å²	67	67.2 Å²	67.2	55%	0.554	38%	0.379	S	S	*	.	H	α-helix	trans	-62	-40.8	179.3	0	0	0	0	0	112.2	L484 L488 I489 V490	L484-A486 VanDerWaalsContact C-N 3.31Å; L484-A486 PolarHBondContact O-N 3.28Å; A486-L488 VanDerWaalsContact C-N 3.34Å; A486-I489 PolarHBondContact O-N 3.01Å; A486-V490 WeakPolarHBondContact O-CG2 3.38Å; A486-V490 PolarHBondContact O-N 3.41Å
487	T	89	Confident	89.4	Confident	57 Å²	57	63.1 Å²	63.1	35%	0.35	36%	0.364	S	S	.	.	H	α-helix	trans	-68.5	-34.8	176.2	50.1	0	0	0	0	111.8	F482 L484 K485 H491	F482-T487 WeakPolarHBondContact CB-OG1 3.37Å; L484-T487 HydrophobicContact CB-CG2 4.32Å; L484-T487 HydrophobicContact CD1-CG2 4.42Å; L484-T487 PolarHBondContact O-N 3.27Å; L484-T487 PolarHBondContact O-OG1 3.06Å; K485-T487 VanDerWaalsContact C-N 3.34Å; K485-T487 PolarHBondContact O-N 2.76Å; T487-H491 VanDerWaalsContact O-CB 3.26Å; T487-H491 WeakPolarHBondContact O-CB 3.43Å; T487-H491 PolarHBondContact O-N 3.48Å
488	L	91.5	Very high	89.4	Confident	21 Å²	21	62.7 Å²	62.7	11%	0.11	36%	0.362	C	S	.	.	H	α-helix	trans	-63.1	-46.8	171.1	174	62.7	0	0	0	111.1	F473 C475 F482 L484 K485 A486 V490 H491 L492	F473-L488 HydrophobicContact CB-CB 4.17Å; F473-L488 HydrophobicContact CB-CD2 3.83Å; C475-L488 HydrophobicContact CB-CD1 3.7Å; F482-L488 HydrophobicContact CB-CB 4.37Å; F482-L488 HydrophobicContact CD2-CB 3.99Å; F482-L488 HydrophobicContact CD2-CD1 3.78Å; F482-L488 HydrophobicContact CD2-CG 4.48Å; F482-L488 HydrophobicContact CE2-CD1 3.93Å; F482-L488 HydrophobicContact CG-CB 4.32Å; L484-L488 PolarHBondContact O-N 3.17Å; K485-L488 WeakPolarHBondContact O-CB 3.32Å; K485-L488 PolarHBondContact O-N 2.78Å; A486-L488 VanDerWaalsContact C-N 3.34Å; L488-V490 VanDerWaalsContact C-N 3.34Å; L488-V490 PolarHBondContact O-N 3.07Å; L488-H491 CarbonylContact O-C 3.59Å; L488-H491 WeakPolarHBondContact O-CA 3.46Å; L488-H491 WeakPolarHBondContact O-CB 3.49Å; L488-H491 PolarHBondContact O-N 3.01Å; L488-H491 VanDerWaalsContact O-N 3.09Å; L488-L492 HydrophobicContact CD1-CD1 4.44Å; L488-L492 HydrophobicContact CD1-CD2 4.34Å; L488-L492 HydrophobicContact CD1-CG 4.1Å; L488-L492 HydrophobicContact CG-CD1 4.23Å; L488-L492 HydrophobicContact CG-CG 4.35Å; L488-L492 WeakPolarHBondContact O-CG 3.24Å; L488-L492 PolarHBondContact O-N 3.25Å
489	I	89.5	Confident	89.3	Confident	78 Å²	78	66.3 Å²	66.3	40%	0.4	37%	0.371	S	S	.	.	H	α-helix	trans	-59.5	-45.9	178.7	-67.8	166.9	0	0	0	111	K485 A486 H491 L492 R493	K485-I489 HydrophobicContact CG-CD1 4.17Å; K485-I489 WeakPolarHBondContact O-CG1 3.46Å; K485-I489 PolarHBondContact O-N 3.24Å; A486-I489 PolarHBondContact O-N 3.01Å; I489-H491 VanDerWaalsContact C-N 3.27Å; I489-H491 PolarHBondContact O-N 3.42Å; I489-L492 PolarHBondContact O-N 2.86Å; I489-R493 PolarHBondContact O-N 2.81Å
490	V	89.4	Confident	89.5	Confident	41 Å²	41	68.1 Å²	68.1	25%	0.248	38%	0.376	C	S	.	.	H	α-helix	trans	-62.6	-37.7	176	170.1	0	0	0	0	111.2	A486 L488 R493 Q512	A486-V490 WeakPolarHBondContact O-CG2 3.38Å; A486-V490 PolarHBondContact O-N 3.41Å; L488-V490 VanDerWaalsContact C-N 3.34Å; L488-V490 PolarHBondContact O-N 3.07Å; V490-R493 WeakPolarHBondContact O-CB 3.38Å; V490-R493 PolarHBondContact O-N 3.49Å; V490-Q512 VanDerWaalsContact CG1-CD 3.48Å; V490-Q512 HydrophobicContact CG1-CG 3.57Å
491	H	90.4	Very high	89.5	Confident	23 Å²	23	65.5 Å²	65.5	11%	0.106	36%	0.363	C	S	.	.	H	α-helix	trans	-66.5	-41.4	174.7	173.3	58.3	0	0	0	112.5	C478 F482 T487 L488 I489 R493 T494 H495	C478-H491 PolarHBondContact SG-NE2 3.47Å; F482-H491 HydrophobicContact CE1-CB 4Å; F482-H491 HydrophobicContact CE2-CB 3.94Å; F482-H491 AromaticContact CE2-CD2 3.37Å; F482-H491 WeakPolarHBondContact CE2-CD2 3.21Å; F482-H491 AromaticContact CE2-CG 3.7Å; F482-H491 HydrophobicContact CZ-CB 3.47Å; F482-H491 VanDerWaalsContact CZ-CB 3.47Å; F482-H491 AromaticContact CZ-CD2 3.39Å; F482-H491 WeakPolarHBondContact CZ-CD2 3.36Å; F482-H491 AromaticContact CZ-CG 3.26Å; F482-H491 AromaticContact CZ-ND1 3.91Å; T487-H491 VanDerWaalsContact O-CB 3.26Å; T487-H491 WeakPolarHBondContact O-CB 3.43Å; T487-H491 PolarHBondContact O-N 3.48Å; L488-H491 CarbonylContact O-C 3.59Å; L488-H491 WeakPolarHBondContact O-CA 3.46Å; L488-H491 WeakPolarHBondContact O-CB 3.49Å; L488-H491 PolarHBondContact O-N 3.01Å; L488-H491 VanDerWaalsContact O-N 3.09Å; I489-H491 VanDerWaalsContact C-N 3.27Å; I489-H491 PolarHBondContact O-N 3.42Å; H491-R493 PolarHBondContact O-N 2.71Å; H491-R493 VanDerWaalsContact O-N 3.14Å; H491-T494 PolarHBondContact ND1-OG1 3.45Å; H491-T494 WeakPolarHBondContact O-CB 3.34Å; H491-T494 PolarHBondContact O-N 3.49Å; H491-T494 PolarHBondContact O-OG1 3.5Å; H491-H495 AromaticContact CD2-NE2 3.98Å; H491-H495 AromaticContact CE1-CE1 3.96Å; H491-H495 AromaticContact CE1-NE2 3.55Å; H491-H495 AromaticContact NE2-CD2 3.99Å; H491-H495 AromaticContact NE2-CE1 3.91Å; H491-H495 AromaticContact NE2-NE2 3.14Å; H491-H495 PolarHBondContact NE2-NE2 2.84Å; H491-H495 VanDerWaalsContact NE2-NE2 3.14Å
492	L	89.9	Confident	89.5	Confident	55 Å²	55	69.2 Å²	69.2	29%	0.288	37%	0.374	S	S	.	.	H	α-helix	trans	-58.1	-30.5	178.4	-70.7	171.9	0	0	0	112.2	L488 I489 T494 H495 T496	L488-L492 HydrophobicContact CD1-CD1 4.44Å; L488-L492 HydrophobicContact CD1-CD2 4.34Å; L488-L492 HydrophobicContact CD1-CG 4.1Å; L488-L492 HydrophobicContact CG-CD1 4.23Å; L488-L492 HydrophobicContact CG-CG 4.35Å; L488-L492 WeakPolarHBondContact O-CG 3.24Å; L488-L492 PolarHBondContact O-N 3.25Å; I489-L492 PolarHBondContact O-N 2.86Å; L492-T494 PolarHBondContact O-N 3.19Å; L492-H495 PolarHBondContact O-N 2.79Å; L492-T496 PolarHBondContact O-N 3.04Å; L492-T496 VanDerWaalsContact O-N 3.12Å; L492-T496 PolarHBondContact O-OG1 2.9Å
493	R	91.6	Very high	89.7	Confident	43 Å²	43	67.2 Å²	67.2	16%	0.162	37%	0.365	C	S	.	.	H	α-helix	trans	-61.8	-21	172.9	-61.7	176.1	-174.6	162.8	0.4	113.9	I489 V490 H491 H495 T496 G497 E498 S511	I489-R493 PolarHBondContact O-N 2.81Å; V490-R493 WeakPolarHBondContact O-CB 3.38Å; V490-R493 PolarHBondContact O-N 3.49Å; H491-R493 PolarHBondContact O-N 2.71Å; H491-R493 VanDerWaalsContact O-N 3.14Å; R493-H495 VanDerWaalsContact C-N 3.27Å; R493-T496 WeakPolarHBondContact CA-OG1 3.44Å; R493-G497 WeakPolarHBondContact O-CA 3.43Å; R493-G497 PolarHBondContact O-N 3.27Å; R493-E498 HydrophobicContact CB-CB 4.49Å; R493-E498 HydrophobicContact CG-CB 4.28Å; R493-S511 WeakPolarHBondContact CD-O 3.36Å; R493-S511 PolarHBondContact NH1-O 3.45Å
494	T	89.7	Confident	89.8	Confident	92 Å²	92	72.4 Å²	72.4	56%	0.564	39%	0.389	S	S	*	.	H	α-helix	trans	-73.2	-24	174.9	69.5	0	0	0	0	112.4	H491 L492	H491-T494 PolarHBondContact ND1-OG1 3.45Å; H491-T494 WeakPolarHBondContact O-CB 3.34Å; H491-T494 PolarHBondContact O-N 3.49Å; H491-T494 PolarHBondContact O-OG1 3.5Å; L492-T494 PolarHBondContact O-N 3.19Å
495	H	89.2	Confident	89.8	Confident	76 Å²	76	74.4 Å²	74.4	35%	0.352	41%	0.407	S	S	.	.	H	α-helix	trans	-89.2	-44.5	176.6	-57.5	-54.5	0	0	0	111.4	C475 E477 H491 L492 R493 G497	C475-H495 PolarHBondContact SG-NE2 2.81Å; C475-H495 VanDerWaalsContact SG-NE2 3.42Å; E477-H495 WeakPolarHBondContact OE2-CB 3.09Å; E477-H495 IonicContact OE2-CD2 3.36Å; E477-H495 PolarHBondContact OE2-CD2 3.42Å; E477-H495 IonicContact OE2-CG 3.09Å; E477-H495 IonicContact OE2-NE2 3.97Å; H491-H495 AromaticContact CD2-NE2 3.98Å; H491-H495 AromaticContact CE1-CE1 3.96Å; H491-H495 AromaticContact CE1-NE2 3.55Å; H491-H495 AromaticContact NE2-CD2 3.99Å; H491-H495 AromaticContact NE2-CE1 3.91Å; H491-H495 AromaticContact NE2-NE2 3.14Å; H491-H495 PolarHBondContact NE2-NE2 2.84Å; H491-H495 VanDerWaalsContact NE2-NE2 3.14Å; L492-H495 PolarHBondContact O-N 2.79Å; R493-H495 VanDerWaalsContact C-N 3.27Å; H495-G497 VanDerWaalsContact C-N 3.27Å; H495-G497 PolarHBondContact O-N 2.84Å
496	T	88.2	Confident	89.9	Confident	78 Å²	78	70.7 Å²	70.7	48%	0.479	40%	0.397	S	S	.	.	H	α-helix	trans	-75.3	-17.1	179.5	63.3	0	0	0	0	113.3	L492 R493 E498	L492-T496 PolarHBondContact O-N 3.04Å; L492-T496 VanDerWaalsContact O-N 3.12Å; L492-T496 PolarHBondContact O-OG1 2.9Å; R493-T496 WeakPolarHBondContact CA-OG1 3.44Å; T496-E498 PolarHBondContact O-N 3.14Å; T496-E498 WeakPolarHBondContact OG1-CG 3.41Å; T496-E498 PolarHBondContact OG1-N 3.47Å
497	G	86.6	Confident	89.9	Confident	49 Å²	49	69.5 Å²	69.5	51%	0.505	39%	0.391	S	S	.	.			trans	71	7.1	-174.8	0	0	0	0	0	114	R493 H495 K499	R493-G497 WeakPolarHBondContact O-CA 3.43Å; R493-G497 PolarHBondContact O-N 3.27Å; H495-G497 VanDerWaalsContact C-N 3.27Å; H495-G497 PolarHBondContact O-N 2.84Å; G497-K499 PolarHBondContact O-N 3.43Å
498	E	89.8	Confident	90	Very high	111 Å²	111	72.8 Å²	72.8	52%	0.519	40%	0.401	S	S	.	.			trans	-60	126.6	-179.4	-77.7	-179.7	-175.9	0	0	111.8	R493 T496	R493-E498 HydrophobicContact CB-CB 4.49Å; R493-E498 HydrophobicContact CG-CB 4.28Å; T496-E498 PolarHBondContact O-N 3.14Å; T496-E498 WeakPolarHBondContact OG1-CG 3.41Å; T496-E498 PolarHBondContact OG1-N 3.47Å
499	K	90.4	Very high	90	Very high	129 Å²	129	73.5 Å²	73.5	56%	0.561	41%	0.41	S	S	*	.			trans	-125.1	77.4	176.7	-69.7	172	177.4	-176.4	0	110.2	G497 Y501 A509 F510	G497-K499 PolarHBondContact O-N 3.43Å; K499-Y501 PolarHBondContact O-N 3.06Å; K499-Y501 VanDerWaalsContact O-N 3.16Å; K499-A509 HydrophobicContact CB-CB 3.68Å; K499-A509 HydrophobicContact CD-CB 4.38Å; K499-A509 WeakPolarHBondContact CD-O 3.33Å; K499-F510 CarbonylContact C-O 3.51Å; K499-F510 VanDerWaalsContact C-O 3.3Å; K499-F510 WeakPolarHBondContact CA-O 3.39Å
500	P	90.3	Very high	90.1	Very high	75 Å²	75	71.5 Å²	71.5	49%	0.487	40%	0.398	S	S	.	.			trans	-69.9	-12.6	-170.9	-20	33.7	0	0	0	114.7
501	Y	91.9	Very high	90	Very high	72 Å²	72	71.3 Å²	71.3	28%	0.282	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	100.5	-171.1	-54.6	-72.3	0	0	0	110.4	K499 A509 F510 Q512 Y513	K499-Y501 PolarHBondContact O-N 3.06Å; K499-Y501 VanDerWaalsContact O-N 3.16Å; Y501-A509 CarbonylContact O-C 3.29Å; Y501-A509 WeakPolarHBondContact O-CA 3.45Å; Y501-F510 PolarHBondContact N-O 2.86Å; Y501-F510 PolarHBondContact O-N 3.2Å; Y501-Q512 VanDerWaalsContact CD2-C 3.42Å; Y501-Y513 AromaticContact CD1-CD2 3.84Å; Y501-Y513 HydrophobicContact CD1-CD2 3.84Å; Y501-Y513 HydrophobicContact CD1-CG 4.45Å; Y501-Y513 HydrophobicContact CE1-CD2 4.1Å; Y501-Y513 HydrophobicContact CE1-CG 4.41Å
502	E	91.1	Very high	90	Very high	119 Å²	119	73.8 Å²	73.8	56%	0.556	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.2	140.3	179.5	-167	176.8	164.7	0	0	112.2
503	C	93.2	Very high	89.9	Confident	0 Å²	0	77.7 Å²	77.7	0%	0	42%	0.422	C	S	.	.			trans	-86.4	110	172.2	-176.5	0	0	0	0	110.6	S505 C506 G507 K508 F510 L516	C503-S505 PolarHBondContact O-N 3.11Å; C503-C506 PolarHBondContact O-N 3.37Å; C503-C506 VanDerWaalsContact O-N 3.16Å; C503-C506 VanDerWaalsContact SG-SG 3.65Å; C503-G507 WeakPolarHBondContact O-CA 3.34Å; C503-G507 PolarHBondContact O-N 3.12Å; C503-K508 WeakPolarHBondContact CB-O 3.47Å; C503-K508 PolarHBondContact N-O 3.44Å; C503-F510 HydrophobicContact CB-CE2 4.35Å; C503-L516 HydrophobicContact CB-CD1 3.59Å
504	N	90.4	Very high	89.8	Confident	156 Å²	156	79.1 Å²	79.1	83%	0.834	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-24.2	179.3	-61	-7.8	0	0	0	114.1
505	S	87.4	Confident	89.8	Confident	88 Å²	88	77.1 Å²	77.1	62%	0.615	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-23.7	-178.5	-51.3	0	0	0	0	113.8	C503	C503-S505 PolarHBondContact O-N 3.11Å
506	C	91.1	Very high	89.9	Confident	54 Å²	54	74 Å²	74	37%	0.365	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.7	4.6	-173.7	71.6	0	0	0	0	115.1	C503 K508 H519 H523	C503-C506 PolarHBondContact O-N 3.37Å; C503-C506 VanDerWaalsContact O-N 3.16Å; C503-C506 VanDerWaalsContact SG-SG 3.65Å; C506-K508 PolarHBondContact O-N 2.97Å; C506-K508 VanDerWaalsContact O-N 3.12Å; C506-H519 PolarHBondContact SG-NE2 3.23Å; C506-H523 PolarHBondContact SG-NE2 3.18Å
507	G	87.6	Confident	90	Very high	42 Å²	42	72.8 Å²	72.8	43%	0.433	40%	0.402	S	S	.	.			trans	68.6	2.5	-180	0	0	0	0	0	115.2	C503 A509	C503-G507 WeakPolarHBondContact O-CA 3.34Å; C503-G507 PolarHBondContact O-N 3.12Å; G507-A509 PolarHBondContact O-N 2.93Å
508	K	90.7	Very high	90.1	Very high	126 Å²	126	73.9 Å²	73.9	55%	0.548	39%	0.394	S	S	.	.			trans	-73.2	126.4	-179.6	-70.9	-176.8	-179.9	179.2	0	110.7	C503 C506 F510	C503-K508 WeakPolarHBondContact CB-O 3.47Å; C503-K508 PolarHBondContact N-O 3.44Å; C506-K508 PolarHBondContact O-N 2.97Å; C506-K508 VanDerWaalsContact O-N 3.12Å; K508-F510 HydrophobicContact CB-CE2 3.93Å; K508-F510 HydrophobicContact CB-CZ 3.98Å; K508-F510 VanDerWaalsContact O-CE2 3.31Å; K508-F510 WeakPolarHBondContact O-CE2 3.47Å
509	A	92.1	Very high	90.1	Very high	36 Å²	36	69.6 Å²	69.6	30%	0.298	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	144.5	177.5	0	0	0	0	0	112.8	K499 Y501 G507	K499-A509 HydrophobicContact CB-CB 3.68Å; K499-A509 HydrophobicContact CD-CB 4.38Å; K499-A509 WeakPolarHBondContact CD-O 3.33Å; Y501-A509 CarbonylContact O-C 3.29Å; Y501-A509 WeakPolarHBondContact O-CA 3.45Å; G507-A509 PolarHBondContact O-N 2.93Å
510	F	90.4	Very high	90	Very high	36 Å²	36	66.5 Å²	66.5	16%	0.158	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	150.1	-177.4	-58	-86.5	0	0	0	111.4	K499 Y501 C503 K508 Q512 V515 L516 H519	K499-F510 CarbonylContact C-O 3.51Å; K499-F510 VanDerWaalsContact C-O 3.3Å; K499-F510 WeakPolarHBondContact CA-O 3.39Å; Y501-F510 PolarHBondContact N-O 2.86Å; Y501-F510 PolarHBondContact O-N 3.2Å; C503-F510 HydrophobicContact CB-CE2 4.35Å; K508-F510 HydrophobicContact CB-CE2 3.93Å; K508-F510 HydrophobicContact CB-CZ 3.98Å; K508-F510 VanDerWaalsContact O-CE2 3.31Å; K508-F510 WeakPolarHBondContact O-CE2 3.47Å; F510-Q512 VanDerWaalsContact C-N 3.33Å; F510-V515 HydrophobicContact CB-CB 4.49Å; F510-V515 HydrophobicContact CD1-CB 4.32Å; F510-V515 HydrophobicContact CD1-CG1 3.51Å; F510-V515 HydrophobicContact CE1-CG1 4.04Å; F510-V515 HydrophobicContact CG-CG1 4.23Å; F510-L516 HydrophobicContact CB-CB 4.48Å; F510-L516 HydrophobicContact CD2-CB 4Å; F510-L516 HydrophobicContact CD2-CD1 3.85Å; F510-L516 HydrophobicContact CE2-CD1 4.01Å; F510-L516 HydrophobicContact CG-CB 4.47Å; F510-H519 HydrophobicContact CE1-CB 4.19Å; F510-H519 HydrophobicContact CE2-CB 3.9Å; F510-H519 AromaticContact CE2-CD2 3.59Å; F510-H519 AromaticContact CE2-CG 3.69Å; F510-H519 HydrophobicContact CZ-CB 3.56Å; F510-H519 AromaticContact CZ-CD2 3.61Å; F510-H519 AromaticContact CZ-CG 3.29Å; F510-H519 AromaticContact CZ-ND1 3.7Å
511	S	88.1	Confident	90	Very high	37 Å²	37	65.4 Å²	65.4	26%	0.259	35%	0.348	S	S	.	.	S	Bend	trans	-79.8	-14.7	178.7	57.1	0	0	0	0	113.5	R493	R493-S511 WeakPolarHBondContact CD-O 3.36Å; R493-S511 PolarHBondContact NH1-O 3.45Å
512	Q	90	Very high	89.9	Confident	75 Å²	75	67.1 Å²	67.1	35%	0.35	36%	0.361	S	S	.	.	S	Bend	trans	-136.1	140.4	-179.2	-63.3	-178.8	37.2	0	0	111.3	V490 Y501 F510 S514 V515 L516	V490-Q512 VanDerWaalsContact CG1-CD 3.48Å; V490-Q512 HydrophobicContact CG1-CG 3.57Å; Y501-Q512 VanDerWaalsContact CD2-C 3.42Å; F510-Q512 VanDerWaalsContact C-N 3.33Å; Q512-S514 PolarHBondContact O-N 2.83Å; Q512-V515 HydrophobicContact CB-CG2 4.03Å; Q512-V515 PolarHBondContact O-N 3.13Å; Q512-L516 PolarHBondContact O-N 3.28Å
513	Y	89.3	Confident	89.7	Confident	137 Å²	137	65.5 Å²	65.5	54%	0.537	35%	0.353	S	S	.	.	H	α-helix	trans	-65.7	-37.5	-179.8	-176.6	-106.8	0	0	0	113.1	Y501 V515 L516 I517	Y501-Y513 AromaticContact CD1-CD2 3.84Å; Y501-Y513 HydrophobicContact CD1-CD2 3.84Å; Y501-Y513 HydrophobicContact CD1-CG 4.45Å; Y501-Y513 HydrophobicContact CE1-CD2 4.1Å; Y501-Y513 HydrophobicContact CE1-CG 4.41Å; Y513-V515 VanDerWaalsContact C-N 3.25Å; Y513-V515 PolarHBondContact O-N 3.1Å; Y513-L516 HydrophobicContact CD2-CD2 4.4Å; Y513-L516 WeakPolarHBondContact O-CB 3.49Å; Y513-L516 PolarHBondContact O-N 3.48Å; Y513-L516 VanDerWaalsContact O-N 3.11Å; Y513-I517 HydrophobicContact CD1-CG1 4.03Å; Y513-I517 HydrophobicContact CE1-CD1 3.93Å; Y513-I517 HydrophobicContact CE1-CG1 3.61Å; Y513-I517 HydrophobicContact CE2-CD1 4.17Å; Y513-I517 HydrophobicContact CE2-CG1 4.4Å; Y513-I517 PolarHBondContact O-N 3.32Å
514	S	88.8	Confident	89.4	Confident	74 Å²	74	69.6 Å²	69.6	52%	0.517	38%	0.378	S	S	.	.	H	α-helix	trans	-58.8	-37.6	176.9	50.3	0	0	0	0	112.6	Q512 I517 Q518	Q512-S514 PolarHBondContact O-N 2.83Å; S514-I517 PolarHBondContact O-N 3.38Å; S514-Q518 WeakPolarHBondContact O-CB 3.36Å; S514-Q518 PolarHBondContact O-N 3.14Å
515	V	89.6	Confident	89.2	Confident	50 Å²	50	64.4 Å²	64.4	30%	0.303	36%	0.362	S	S	.	.	H	α-helix	trans	-71.1	-37.8	177.3	-175.9	0	0	0	0	110.6	F510 Q512 Y513 Q518 H519	F510-V515 HydrophobicContact CB-CB 4.49Å; F510-V515 HydrophobicContact CD1-CB 4.32Å; F510-V515 HydrophobicContact CD1-CG1 3.51Å; F510-V515 HydrophobicContact CE1-CG1 4.04Å; F510-V515 HydrophobicContact CG-CG1 4.23Å; Q512-V515 HydrophobicContact CB-CG2 4.03Å; Q512-V515 PolarHBondContact O-N 3.13Å; Y513-V515 VanDerWaalsContact C-N 3.25Å; Y513-V515 PolarHBondContact O-N 3.1Å; V515-Q518 PolarHBondContact O-N 3.21Å; V515-H519 VanDerWaalsContact O-CB 3.3Å; V515-H519 WeakPolarHBondContact O-CB 3.39Å; V515-H519 PolarHBondContact O-N 3.18Å
516	L	91.6	Very high	89.2	Confident	10 Å²	10	65.7 Å²	65.7	5%	0.052	36%	0.358	C	S	.	.	H	α-helix	trans	-61	-48.8	172.1	171.9	63.3	0	0	0	111.3	C503 F510 Q512 Y513 Q518 H519 Q520	C503-L516 HydrophobicContact CB-CD1 3.59Å; F510-L516 HydrophobicContact CB-CB 4.48Å; F510-L516 HydrophobicContact CD2-CB 4Å; F510-L516 HydrophobicContact CD2-CD1 3.85Å; F510-L516 HydrophobicContact CE2-CD1 4.01Å; F510-L516 HydrophobicContact CG-CB 4.47Å; Q512-L516 PolarHBondContact O-N 3.28Å; Y513-L516 HydrophobicContact CD2-CD2 4.4Å; Y513-L516 WeakPolarHBondContact O-CB 3.49Å; Y513-L516 PolarHBondContact O-N 3.48Å; Y513-L516 VanDerWaalsContact O-N 3.11Å; L516-Q518 VanDerWaalsContact C-N 3.31Å; L516-Q518 PolarHBondContact O-N 3.34Å; L516-H519 WeakPolarHBondContact O-CB 3.24Å; L516-H519 PolarHBondContact O-N 3.39Å; L516-H519 VanDerWaalsContact O-N 3.12Å; L516-Q520 HydrophobicContact CD1-CG 4.12Å; L516-Q520 HydrophobicContact CG-CG 4.48Å; L516-Q520 WeakPolarHBondContact O-CG 3.42Å; L516-Q520 PolarHBondContact O-N 3.25Å
517	I	89.2	Confident	89.1	Confident	53 Å²	53	69.1 Å²	69.1	27%	0.272	37%	0.367	S	S	.	.	H	α-helix	trans	-59.2	-43.7	177.3	-65.9	-54.5	0	0	0	111.1	Y513 S514 H519 Q520 R521	Y513-I517 HydrophobicContact CD1-CG1 4.03Å; Y513-I517 HydrophobicContact CE1-CD1 3.93Å; Y513-I517 HydrophobicContact CE1-CG1 3.61Å; Y513-I517 HydrophobicContact CE2-CD1 4.17Å; Y513-I517 HydrophobicContact CE2-CG1 4.4Å; Y513-I517 PolarHBondContact O-N 3.32Å; S514-I517 PolarHBondContact O-N 3.38Å; I517-H519 VanDerWaalsContact C-N 3.31Å; I517-H519 PolarHBondContact O-N 3.11Å; I517-Q520 VanDerWaalsContact CD1-OE1 3.29Å; I517-Q520 PolarHBondContact O-N 2.87Å; I517-R521 PolarHBondContact O-N 3.36Å
518	Q	88.3	Confident	89.1	Confident	71 Å²	71	70.6 Å²	70.6	33%	0.332	37%	0.369	S	S	.	.	H	α-helix	trans	-62.6	-39.6	176	-176.2	-177.9	49	0	0	112	S514 V515 L516 R521 Q540	S514-Q518 WeakPolarHBondContact O-CB 3.36Å; S514-Q518 PolarHBondContact O-N 3.14Å; V515-Q518 PolarHBondContact O-N 3.21Å; L516-Q518 VanDerWaalsContact C-N 3.31Å; L516-Q518 PolarHBondContact O-N 3.34Å; Q518-R521 WeakPolarHBondContact O-CB 3.41Å; Q518-R521 PolarHBondContact O-N 2.75Å; Q518-Q540 HydrophobicContact CG-CG 4.12Å
519	H	90	Very high	89.1	Confident	22 Å²	22	68 Å²	68	10%	0.102	36%	0.356	C	S	.	.	H	α-helix	trans	-65.5	-41.7	176.1	174.2	70.6	0	0	0	112.1	C506 F510 V515 L516 I517 R521 I522 H523	C506-H519 PolarHBondContact SG-NE2 3.23Å; F510-H519 HydrophobicContact CE1-CB 4.19Å; F510-H519 HydrophobicContact CE2-CB 3.9Å; F510-H519 AromaticContact CE2-CD2 3.59Å; F510-H519 AromaticContact CE2-CG 3.69Å; F510-H519 HydrophobicContact CZ-CB 3.56Å; F510-H519 AromaticContact CZ-CD2 3.61Å; F510-H519 AromaticContact CZ-CG 3.29Å; F510-H519 AromaticContact CZ-ND1 3.7Å; V515-H519 VanDerWaalsContact O-CB 3.3Å; V515-H519 WeakPolarHBondContact O-CB 3.39Å; V515-H519 PolarHBondContact O-N 3.18Å; L516-H519 WeakPolarHBondContact O-CB 3.24Å; L516-H519 PolarHBondContact O-N 3.39Å; L516-H519 VanDerWaalsContact O-N 3.12Å; I517-H519 VanDerWaalsContact C-N 3.31Å; I517-H519 PolarHBondContact O-N 3.11Å; H519-R521 PolarHBondContact O-N 2.74Å; H519-R521 VanDerWaalsContact O-N 3.16Å; H519-I522 VanDerWaalsContact O-CB 3.26Å; H519-I522 WeakPolarHBondContact O-CB 3.45Å; H519-I522 WeakPolarHBondContact O-CG1 3.27Å; H519-I522 PolarHBondContact O-N 3.21Å; H519-H523 AromaticContact CD2-NE2 3.8Å; H519-H523 AromaticContact CE1-NE2 3.85Å; H519-H523 AromaticContact NE2-CD2 3.99Å; H519-H523 AromaticContact NE2-CE1 3.92Å; H519-H523 AromaticContact NE2-NE2 3.1Å; H519-H523 PolarHBondContact NE2-NE2 3.17Å
520	Q	89.6	Confident	89	Confident	64 Å²	64	72.5 Å²	72.5	30%	0.299	37%	0.371	S	S	.	.	H	α-helix	trans	-58.6	-28.5	179.4	-76.9	173.7	-24.7	0	0	113.1	L516 I517 I522 H523 T524	L516-Q520 HydrophobicContact CD1-CG 4.12Å; L516-Q520 HydrophobicContact CG-CG 4.48Å; L516-Q520 WeakPolarHBondContact O-CG 3.42Å; L516-Q520 PolarHBondContact O-N 3.25Å; I517-Q520 VanDerWaalsContact CD1-OE1 3.29Å; I517-Q520 PolarHBondContact O-N 2.87Å; Q520-I522 PolarHBondContact O-N 3.05Å; Q520-I522 VanDerWaalsContact O-N 3.13Å; Q520-H523 WeakPolarHBondContact O-CB 3.4Å; Q520-H523 PolarHBondContact O-N 3.04Å; Q520-T524 PolarHBondContact O-N 3.34Å; Q520-T524 VanDerWaalsContact O-N 3.08Å; Q520-T524 PolarHBondContact O-OG1 2.8Å
521	R	90.8	Very high	89	Confident	51 Å²	51	70.8 Å²	70.8	19%	0.192	36%	0.364	C	S	.	.	H	α-helix	trans	-60.7	-20.6	174.1	-63.2	175.6	-175.2	-169.2	-5.3	114	I517 Q518 H519 H523 T524 G525 E526 Y529 N539	I517-R521 PolarHBondContact O-N 3.36Å; Q518-R521 WeakPolarHBondContact O-CB 3.41Å; Q518-R521 PolarHBondContact O-N 2.75Å; H519-R521 PolarHBondContact O-N 2.74Å; H519-R521 VanDerWaalsContact O-N 3.16Å; R521-H523 VanDerWaalsContact C-N 3.34Å; R521-T524 WeakPolarHBondContact CA-OG1 3.36Å; R521-G525 WeakPolarHBondContact O-CA 3.37Å; R521-G525 PolarHBondContact O-N 3.18Å; R521-E526 HydrophobicContact CG-CB 4.4Å; R521-E526 PolarHBondContact O-N 3.44Å; R521-Y529 VanDerWaalsContact NH1-CE2 3.29Å; R521-N539 PolarHBondContact NH1-O 3.36Å
522	I	87.9	Confident	89	Confident	109 Å²	109	73 Å²	73	56%	0.559	39%	0.392	S	S	*	.	H	α-helix	trans	-70	-37.3	174.2	-58.8	171.2	0	0	0	110.1	H519 Q520	H519-I522 VanDerWaalsContact O-CB 3.26Å; H519-I522 WeakPolarHBondContact O-CB 3.45Å; H519-I522 WeakPolarHBondContact O-CG1 3.27Å; H519-I522 PolarHBondContact O-N 3.21Å; Q520-I522 PolarHBondContact O-N 3.05Å; Q520-I522 VanDerWaalsContact O-N 3.13Å
523	H	87.8	Confident	88.8	Confident	84 Å²	84	76.2 Å²	76.2	39%	0.389	41%	0.407	S	S	.	.	H	α-helix	trans	-78.6	-40.6	179.4	-57	-54.6	0	0	0	111.8	C506 H519 Q520 R521 G525	C506-H523 PolarHBondContact SG-NE2 3.18Å; H519-H523 AromaticContact CD2-NE2 3.8Å; H519-H523 AromaticContact CE1-NE2 3.85Å; H519-H523 AromaticContact NE2-CD2 3.99Å; H519-H523 AromaticContact NE2-CE1 3.92Å; H519-H523 AromaticContact NE2-NE2 3.1Å; H519-H523 PolarHBondContact NE2-NE2 3.17Å; Q520-H523 WeakPolarHBondContact O-CB 3.4Å; Q520-H523 PolarHBondContact O-N 3.04Å; R521-H523 VanDerWaalsContact C-N 3.34Å; H523-G525 VanDerWaalsContact C-N 3.33Å
524	T	86.8	Confident	88.9	Confident	86 Å²	86	72.2 Å²	72.2	53%	0.528	40%	0.399	S	S	.	.	H	α-helix	trans	-80.4	-16.2	179.8	62.5	0	0	0	0	113.1	Q520 R521 E526	Q520-T524 PolarHBondContact O-N 3.34Å; Q520-T524 VanDerWaalsContact O-N 3.08Å; Q520-T524 PolarHBondContact O-OG1 2.8Å; R521-T524 WeakPolarHBondContact CA-OG1 3.36Å; T524-E526 PolarHBondContact O-N 3.16Å; T524-E526 WeakPolarHBondContact OG1-CG 3.31Å; T524-E526 PolarHBondContact OG1-N 3.37Å
525	G	85.3	Confident	88.7	Confident	48 Å²	48	70.6 Å²	70.6	50%	0.495	39%	0.394	S	S	.	.			trans	70.4	7	-175.1	0	0	0	0	0	114.2	R521 H523 K527	R521-G525 WeakPolarHBondContact O-CA 3.37Å; R521-G525 PolarHBondContact O-N 3.18Å; H523-G525 VanDerWaalsContact C-N 3.33Å; G525-K527 PolarHBondContact O-N 2.73Å
526	E	87.9	Confident	88.7	Confident	114 Å²	114	75.9 Å²	75.9	53%	0.533	41%	0.408	S	S	.	.			trans	-61.6	127.1	-179.4	-76.3	-179.9	-176.5	0	0	111.8	R521 T524 P528	R521-E526 HydrophobicContact CG-CB 4.4Å; R521-E526 PolarHBondContact O-N 3.44Å; T524-E526 PolarHBondContact O-N 3.16Å; T524-E526 WeakPolarHBondContact OG1-CG 3.31Å; T524-E526 PolarHBondContact OG1-N 3.37Å; E526-P528 WeakPolarHBondContact O-CD 3.38Å
527	K	88.4	Confident	88.6	Confident	126 Å²	126	77.2 Å²	77.2	55%	0.548	42%	0.42	S	S	.	.			trans	-125	77.4	177	-65.6	179	-175.1	-178.9	0	110.5	G525 Y529 A537 F538 N539	G525-K527 PolarHBondContact O-N 2.73Å; K527-Y529 PolarHBondContact O-N 2.83Å; K527-Y529 VanDerWaalsContact O-N 3.13Å; K527-A537 HydrophobicContact CB-CB 3.61Å; K527-A537 HydrophobicContact CD-CB 4.24Å; K527-A537 WeakPolarHBondContact CD-O 3.49Å; K527-F538 CarbonylContact C-O 3.44Å; K527-F538 VanDerWaalsContact C-O 3.31Å; K527-F538 WeakPolarHBondContact CA-O 3.39Å; K527-N539 HydrophobicContact CG-CB 4.49Å
528	P	88.6	Confident	88.5	Confident	73 Å²	73	76.7 Å²	76.7	47%	0.474	42%	0.416	S	S	.	.			trans	-69.5	-11.9	-171.6	-19.9	33.8	0	0	0	114.6	E526	E526-P528 WeakPolarHBondContact O-CD 3.38Å
529	Y	90.4	Very high	88.4	Confident	72 Å²	72	75.4 Å²	75.4	28%	0.282	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	94.9	-172.4	-55.2	-69.9	0	0	0	110.3	R521 K527 A537 F538 H541	R521-Y529 VanDerWaalsContact NH1-CE2 3.29Å; K527-Y529 PolarHBondContact O-N 2.83Å; K527-Y529 VanDerWaalsContact O-N 3.13Å; Y529-A537 CarbonylContact O-C 3.52Å; Y529-A537 WeakPolarHBondContact O-CA 3.37Å; Y529-F538 PolarHBondContact N-O 3.14Å; Y529-F538 PolarHBondContact O-N 3.42Å; Y529-H541 HydrophobicContact CD1-CB 4.08Å; Y529-H541 AromaticContact CD1-ND1 3.87Å; Y529-H541 HydrophobicContact CD2-CB 4.37Å; Y529-H541 VanDerWaalsContact CD2-N 3.32Å; Y529-H541 HydrophobicContact CE1-CB 3.83Å; Y529-H541 HydrophobicContact CE2-CB 4.1Å; Y529-H541 VanDerWaalsContact CE2-N 3.26Å; Y529-H541 HydrophobicContact CG-CB 4.34Å
530	E	89.4	Confident	88.3	Confident	130 Å²	130	77.3 Å²	77.3	61%	0.607	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94	139.4	179.3	-165.8	176	168	0	0	112	G532	E530-G532 PolarHBondContact O-N 2.91Å
531	C	91.7	Very high	88.2	Confident	1 Å²	1	79 Å²	79	1%	0.007	43%	0.428	C	S	.	.			trans	-80.2	113.4	171.8	-177.8	0	0	0	0	109.8	E533 C534 G535 R536 L544	C531-E533 PolarHBondContact O-N 3.29Å; C531-E533 VanDerWaalsContact O-N 3.11Å; C531-C534 PolarHBondContact O-N 2.94Å; C531-G535 VanDerWaalsContact O-CA 3.32Å; C531-G535 WeakPolarHBondContact O-CA 3.39Å; C531-G535 PolarHBondContact O-N 2.86Å; C531-R536 WeakPolarHBondContact CB-O 3.21Å; C531-R536 PolarHBondContact N-O 3.48Å; C531-L544 HydrophobicContact CB-CD1 3.72Å
532	G	87.8	Confident	88.1	Confident	83 Å²	83	78.7 Å²	78.7	86%	0.856	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-16.5	179.3	0	0	0	0	0	115.2	E530	E530-G532 PolarHBondContact O-N 2.91Å
533	E	85.9	Confident	88.2	Confident	142 Å²	142	77.2 Å²	77.2	66%	0.664	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-31.1	-179.5	-68.8	170.5	-179.9	0	0	113.2	C531 H551	C531-E533 PolarHBondContact O-N 3.29Å; C531-E533 VanDerWaalsContact O-N 3.11Å; E533-H551 WeakPolarHBondContact OE2-CB 3.4Å; E533-H551 IonicContact OE2-CD2 3.8Å; E533-H551 PolarHBondContact OE2-CD2 3.36Å; E533-H551 IonicContact OE2-CG 3.94Å; E533-H551 IonicContact OE2-NE2 3.11Å
534	C	90.6	Very high	88.3	Confident	54 Å²	54	73.8 Å²	73.8	37%	0.365	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.5	3.8	-174.2	73.2	0	0	0	0	114.8	C531 R536 H547 H551	C531-C534 PolarHBondContact O-N 2.94Å; C534-R536 PolarHBondContact O-N 3.06Å; C534-R536 VanDerWaalsContact O-N 3.1Å; C534-H547 PolarHBondContact SG-NE2 2.85Å; C534-H551 PolarHBondContact SG-NE2 3.47Å; C534-H551 VanDerWaalsContact SG-NE2 3.39Å
535	G	85.6	Confident	88.4	Confident	40 Å²	40	72.9 Å²	72.9	41%	0.412	41%	0.408	S	S	.	.			trans	67.9	4	179.6	0	0	0	0	0	115.1	C531 A537	C531-G535 VanDerWaalsContact O-CA 3.32Å; C531-G535 WeakPolarHBondContact O-CA 3.39Å; C531-G535 PolarHBondContact O-N 2.86Å; G535-A537 PolarHBondContact O-N 3.35Å
536	R	88.6	Confident	88.5	Confident	161 Å²	161	76.8 Å²	76.8	61%	0.608	41%	0.413	S	S	*	.			trans	-71.1	123.2	178.6	-75.2	-173.1	178.2	-173.2	1.8	110.7	C531 C534 F538	C531-R536 WeakPolarHBondContact CB-O 3.21Å; C531-R536 PolarHBondContact N-O 3.48Å; C534-R536 PolarHBondContact O-N 3.06Å; C534-R536 VanDerWaalsContact O-N 3.1Å; R536-F538 HydrophobicContact CB-CE2 3.88Å; R536-F538 HydrophobicContact CB-CZ 4.01Å; R536-F538 WeakPolarHBondContact O-CD2 3.39Å; R536-F538 VanDerWaalsContact O-CE2 3.3Å; R536-F538 WeakPolarHBondContact O-CE2 3.26Å
537	A	89.2	Confident	88.5	Confident	37 Å²	37	72.5 Å²	72.5	31%	0.306	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	144.1	177	0	0	0	0	0	112.6	K527 Y529 G535	K527-A537 HydrophobicContact CB-CB 3.61Å; K527-A537 HydrophobicContact CD-CB 4.24Å; K527-A537 WeakPolarHBondContact CD-O 3.49Å; Y529-A537 CarbonylContact O-C 3.52Å; Y529-A537 WeakPolarHBondContact O-CA 3.37Å; G535-A537 PolarHBondContact O-N 3.35Å
538	F	88.5	Confident	88.5	Confident	42 Å²	42	69.9 Å²	69.9	18%	0.184	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	149.6	-179.2	-58	-89.6	0	0	0	111	K527 Y529 R536 H543 L544 H547	K527-F538 CarbonylContact C-O 3.44Å; K527-F538 VanDerWaalsContact C-O 3.31Å; K527-F538 WeakPolarHBondContact CA-O 3.39Å; Y529-F538 PolarHBondContact N-O 3.14Å; Y529-F538 PolarHBondContact O-N 3.42Å; R536-F538 HydrophobicContact CB-CE2 3.88Å; R536-F538 HydrophobicContact CB-CZ 4.01Å; R536-F538 WeakPolarHBondContact O-CD2 3.39Å; R536-F538 VanDerWaalsContact O-CE2 3.3Å; R536-F538 WeakPolarHBondContact O-CE2 3.26Å; F538-H543 HydrophobicContact CB-CB 4.1Å; F538-H543 HydrophobicContact CD1-CB 3.78Å; F538-H543 HydrophobicContact CG-CB 4.14Å; F538-L544 HydrophobicContact CD2-CB 3.99Å; F538-L544 HydrophobicContact CD2-CD1 3.99Å; F538-L544 HydrophobicContact CE2-CD1 4.15Å; F538-L544 HydrophobicContact CG-CB 4.47Å; F538-H547 HydrophobicContact CE1-CB 4.1Å; F538-H547 HydrophobicContact CE2-CB 3.76Å; F538-H547 AromaticContact CE2-CD2 3.56Å; F538-H547 AromaticContact CE2-CG 3.71Å; F538-H547 HydrophobicContact CZ-CB 3.4Å; F538-H547 AromaticContact CZ-CD2 3.58Å; F538-H547 AromaticContact CZ-CG 3.31Å; F538-H547 AromaticContact CZ-ND1 3.91Å
539	N	85.8	Confident	88.5	Confident	45 Å²	45	72.3 Å²	72.3	24%	0.241	39%	0.386	C	S	.	.	S	Bend	trans	-79.6	-19	177.4	57.3	4.9	0	0	0	113.4	R521 K527 H543	R521-N539 PolarHBondContact NH1-O 3.36Å; K527-N539 HydrophobicContact CG-CB 4.49Å; N539-H543 PolarHBondContact OD1-ND1 3.35Å
540	Q	87	Confident	88.3	Confident	61 Å²	61	72.7 Å²	72.7	29%	0.285	40%	0.396	S	S	.	.	S	Bend	trans	-129.1	141.4	179.8	-54.5	-171.1	11.5	0	0	111.6	Q518 G542 H543 L544	Q518-Q540 HydrophobicContact CG-CG 4.12Å; Q540-G542 VanDerWaalsContact C-N 3.33Å; Q540-G542 PolarHBondContact O-N 3.15Å; Q540-H543 PolarHBondContact O-N 3.34Å; Q540-L544 PolarHBondContact O-N 3.12Å
541	H	87.4	Confident	88	Confident	99 Å²	99	68.9 Å²	68.9	46%	0.458	38%	0.378	S	S	.	.	H	α-helix	trans	-63.9	-37.5	179.8	-174.2	67.2	0	0	0	112.2	Y529 H543 L544 I545	Y529-H541 HydrophobicContact CD1-CB 4.08Å; Y529-H541 AromaticContact CD1-ND1 3.87Å; Y529-H541 HydrophobicContact CD2-CB 4.37Å; Y529-H541 VanDerWaalsContact CD2-N 3.32Å; Y529-H541 HydrophobicContact CE1-CB 3.83Å; Y529-H541 HydrophobicContact CE2-CB 4.1Å; Y529-H541 VanDerWaalsContact CE2-N 3.26Å; Y529-H541 HydrophobicContact CG-CB 4.34Å; H541-H543 VanDerWaalsContact C-N 3.29Å; H541-H543 PolarHBondContact O-N 2.98Å; H541-L544 WeakPolarHBondContact O-CB 3.39Å; H541-L544 PolarHBondContact O-N 3.12Å; H541-L544 VanDerWaalsContact O-N 3.1Å; H541-I545 WeakPolarHBondContact O-CG1 3.48Å; H541-I545 PolarHBondContact O-N 2.9Å
542	G	88.7	Confident	87	Confident	46 Å²	46	79.5 Å²	79.5	47%	0.474	42%	0.417	S	S	.	.	H	α-helix	trans	-59.6	-37.1	177.2	0	0	0	0	0	113.4	Q540 I545 Q546	Q540-G542 VanDerWaalsContact C-N 3.33Å; Q540-G542 PolarHBondContact O-N 3.15Å; G542-I545 PolarHBondContact O-N 3.08Å; G542-Q546 WeakPolarHBondContact O-CB 3.27Å; G542-Q546 PolarHBondContact O-N 3.48Å
543	H	89.7	Confident	85.7	Confident	78 Å²	78	84.4 Å²	84.4	36%	0.361	42%	0.415	S	S	.	.	H	α-helix	trans	-67.3	-38.3	175.2	-62.8	159.8	0	0	0	111.9	F538 N539 Q540 H541 Q546 H547	F538-H543 HydrophobicContact CB-CB 4.1Å; F538-H543 HydrophobicContact CD1-CB 3.78Å; F538-H543 HydrophobicContact CG-CB 4.14Å; N539-H543 PolarHBondContact OD1-ND1 3.35Å; Q540-H543 PolarHBondContact O-N 3.34Å; H541-H543 VanDerWaalsContact C-N 3.29Å; H541-H543 PolarHBondContact O-N 2.98Å; H543-Q546 PolarHBondContact O-N 2.89Å; H543-H547 WeakPolarHBondContact O-CB 3.45Å; H543-H547 PolarHBondContact O-N 3.15Å
544	L	89.9	Confident	84	Confident	12 Å²	12	87.2 Å²	87.2	6%	0.063	43%	0.434	C	S	.	.	H	α-helix	trans	-61.9	-48.6	172.5	172.7	63.6	0	0	0	111	C531 F538 Q540 H541 Q546 H547 Q548	C531-L544 HydrophobicContact CB-CD1 3.72Å; F538-L544 HydrophobicContact CD2-CB 3.99Å; F538-L544 HydrophobicContact CD2-CD1 3.99Å; F538-L544 HydrophobicContact CE2-CD1 4.15Å; F538-L544 HydrophobicContact CG-CB 4.47Å; Q540-L544 PolarHBondContact O-N 3.12Å; H541-L544 WeakPolarHBondContact O-CB 3.39Å; H541-L544 PolarHBondContact O-N 3.12Å; H541-L544 VanDerWaalsContact O-N 3.1Å; L544-Q546 VanDerWaalsContact C-N 3.29Å; L544-Q546 PolarHBondContact O-N 3.48Å; L544-H547 WeakPolarHBondContact O-CB 3.24Å; L544-H547 PolarHBondContact O-N 3.41Å; L544-H547 VanDerWaalsContact O-N 3.11Å; L544-Q548 HydrophobicContact CD1-CG 4.03Å; L544-Q548 HydrophobicContact CG-CG 4.38Å; L544-Q548 WeakPolarHBondContact O-CG 3.46Å; L544-Q548 PolarHBondContact O-N 3.17Å
545	I	89	Confident	83.7	Confident	67 Å²	67	88.9 Å²	88.9	34%	0.344	44%	0.437	S	S	.	.	H	α-helix	trans	-59.2	-42	177.6	-63.9	-60	0	0	0	111	H541 G542 H547 Q548 K549	H541-I545 WeakPolarHBondContact O-CG1 3.48Å; H541-I545 PolarHBondContact O-N 2.9Å; G542-I545 PolarHBondContact O-N 3.08Å; I545-H547 VanDerWaalsContact C-N 3.35Å; I545-Q548 PolarHBondContact O-N 3.23Å; I545-K549 WeakPolarHBondContact O-CG 3.34Å; I545-K549 PolarHBondContact O-N 3.11Å
546	Q	88.4	Confident	83.6	Confident	129 Å²	129	91.4 Å²	91.4	60%	0.603	44%	0.438	S	S	*	.	H	α-helix	trans	-65.3	-39.2	176.2	-175.4	174.1	1.3	0	0	111.9	G542 H543 L544 K549	G542-Q546 WeakPolarHBondContact O-CB 3.27Å; G542-Q546 PolarHBondContact O-N 3.48Å; H543-Q546 PolarHBondContact O-N 2.89Å; L544-Q546 VanDerWaalsContact C-N 3.29Å; L544-Q546 PolarHBondContact O-N 3.48Å; Q546-K549 WeakPolarHBondContact O-CB 3.29Å; Q546-K549 PolarHBondContact O-N 3.41Å
547	H	88.9	Confident	83.3	Confident	24 Å²	24	87.6 Å²	87.6	11%	0.111	43%	0.429	C	S	.	.	H	α-helix	trans	-67	-42.3	176.5	178.9	61.5	0	0	0	112.5	C534 F538 H543 L544 I545 K549 V550 H551	C534-H547 PolarHBondContact SG-NE2 2.85Å; F538-H547 HydrophobicContact CE1-CB 4.1Å; F538-H547 HydrophobicContact CE2-CB 3.76Å; F538-H547 AromaticContact CE2-CD2 3.56Å; F538-H547 AromaticContact CE2-CG 3.71Å; F538-H547 HydrophobicContact CZ-CB 3.4Å; F538-H547 AromaticContact CZ-CD2 3.58Å; F538-H547 AromaticContact CZ-CG 3.31Å; F538-H547 AromaticContact CZ-ND1 3.91Å; H543-H547 WeakPolarHBondContact O-CB 3.45Å; H543-H547 PolarHBondContact O-N 3.15Å; L544-H547 WeakPolarHBondContact O-CB 3.24Å; L544-H547 PolarHBondContact O-N 3.41Å; L544-H547 VanDerWaalsContact O-N 3.11Å; I545-H547 VanDerWaalsContact C-N 3.35Å; H547-K549 PolarHBondContact O-N 2.82Å; H547-K549 VanDerWaalsContact O-N 3.17Å; H547-V550 WeakPolarHBondContact O-CB 3.42Å; H547-V550 WeakPolarHBondContact O-CG2 3.4Å; H547-V550 PolarHBondContact O-N 3.16Å; H547-H551 AromaticContact CD2-NE2 3.94Å; H547-H551 AromaticContact CE1-NE2 3.9Å; H547-H551 AromaticContact NE2-CE1 3.98Å; H547-H551 AromaticContact NE2-NE2 3.27Å; H547-H551 PolarHBondContact NE2-NE2 3.28Å
548	Q	87.6	Confident	83	Confident	71 Å²	71	90.5 Å²	90.5	33%	0.332	44%	0.436	S	S	.	.	H	α-helix	trans	-60.1	-26.1	176.1	-74.3	173.1	-25	0	0	112.7	L544 I545 V550 H551 R552	L544-Q548 HydrophobicContact CD1-CG 4.03Å; L544-Q548 HydrophobicContact CG-CG 4.38Å; L544-Q548 WeakPolarHBondContact O-CG 3.46Å; L544-Q548 PolarHBondContact O-N 3.17Å; I545-Q548 PolarHBondContact O-N 3.23Å; Q548-V550 PolarHBondContact O-N 3.36Å; Q548-H551 PolarHBondContact O-N 3.44Å; Q548-R552 PolarHBondContact O-N 3.45Å
549	K	88.8	Confident	82.6	Confident	125 Å²	125	93.6 Å²	93.6	54%	0.543	45%	0.452	S	S	.	.	H	α-helix	trans	-65.9	-20.4	172.3	-67.1	174	-175.9	-178.2	0	113.3	I545 Q546 H547 K553	I545-K549 WeakPolarHBondContact O-CG 3.34Å; I545-K549 PolarHBondContact O-N 3.11Å; Q546-K549 WeakPolarHBondContact O-CB 3.29Å; Q546-K549 PolarHBondContact O-N 3.41Å; H547-K549 PolarHBondContact O-N 2.82Å; H547-K549 VanDerWaalsContact O-N 3.17Å; K549-K553 WeakPolarHBondContact O-CG 3.06Å
550	V	86.4	Confident	82.4	Confident	80 Å²	80	96.8 Å²	96.8	49%	0.485	47%	0.466	S	S	.	.	H	α-helix	trans	-71.9	-41.1	175.3	-177.5	0	0	0	0	110.1	H547 Q548 R552 K553	H547-V550 WeakPolarHBondContact O-CB 3.42Å; H547-V550 WeakPolarHBondContact O-CG2 3.4Å; H547-V550 PolarHBondContact O-N 3.16Å; Q548-V550 PolarHBondContact O-N 3.36Å; V550-R552 VanDerWaalsContact C-N 3.33Å; V550-K553 PolarHBondContact O-N 3.49Å
551	H	81.6	Confident	82.1	Confident	50 Å²	50	99.4 Å²	99.4	23%	0.231	48%	0.479	C	S	.	.	H	α-helix	trans	-71.8	-26.8	176.2	-58.4	-51.7	0	0	0	113.1	E533 C534 H547 Q548 K553	E533-H551 WeakPolarHBondContact OE2-CB 3.4Å; E533-H551 IonicContact OE2-CD2 3.8Å; E533-H551 PolarHBondContact OE2-CD2 3.36Å; E533-H551 IonicContact OE2-CG 3.94Å; E533-H551 IonicContact OE2-NE2 3.11Å; C534-H551 PolarHBondContact SG-NE2 3.47Å; C534-H551 VanDerWaalsContact SG-NE2 3.39Å; H547-H551 AromaticContact CD2-NE2 3.94Å; H547-H551 AromaticContact CE1-NE2 3.9Å; H547-H551 AromaticContact NE2-CE1 3.98Å; H547-H551 AromaticContact NE2-NE2 3.27Å; H547-H551 PolarHBondContact NE2-NE2 3.28Å; Q548-H551 PolarHBondContact O-N 3.44Å; H551-K553 PolarHBondContact O-N 3.23Å
552	R	72.3	Confident	81.7	Confident	223 Å²	223	99.4 Å²	99.4	84%	0.842	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-7.5	170.5	-80.3	-172.4	175.1	-173	-1.2	114.7	Q548 V550	Q548-R552 PolarHBondContact O-N 3.45Å; V550-R552 VanDerWaalsContact C-N 3.33Å
553	K	59.7	Low	81.1	Confident	186 Å²	186	103.8 Å²	103.8	81%	0.809	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.9	1.3	-177.8	-78.7	-171.7	175.1	-168.4	0	113.5	K549 V550 H551	K549-K553 WeakPolarHBondContact O-CG 3.06Å; V550-K553 PolarHBondContact O-N 3.49Å; H551-K553 PolarHBondContact O-N 3.23Å
554	L	51.2	Low	80.3	Confident	201 Å²	201	106.2 Å²	106.2	100%	1.052	49%	0.492	S	S	*	.			trans	-109.6	0	167.6	-71.3	165.7	0	0	0	107.6

Retrieved 554 of 554 residues in 1128.4 ms (Link to these results)

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