A0A077ZFB4_TRITR Loading...

Intermembrane phospholipid transport system permease protein MlaE

Part of the ABC transporter complex MlaFEDB, which is involved in a phospholipid transport pathway that maintains lipid asymmetry in the outer membrane by retrograde trafficking of phospholipids from the outer membrane to the inner membrane. Probably responsible for the translocation of the substrate across the membrane.

AlphaFold DB , UniProt , Accession A0A077ZFB4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 709 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.7	Very low	54.1	Low	184 Å²	184	93.3 Å²	93.3	91%	0.906	49%	0.485	S	S	*	.				0	-60.6	0	-75.2	-166.5	165.9	0	0	112.7	F3 N4	M1-F3 PolarHBondContact O-N 3.42Å; M1-N4 PolarHBondContact O-N 3.48Å
2	L	51.1	Low	54.3	Low	19 Å²	19	99 Å²	99	10%	0.099	50%	0.504	C	S	.	.	H	α-helix	trans	-60.9	-34.5	-179.3	-96.1	152.8	0	0	0	115.5	N4 A5 L6 I119 W190	L2-N4 VanDerWaalsContact C-N 3.33Å; L2-N4 PolarHBondContact O-N 3.49Å; L2-A5 WeakPolarHBondContact O-CB 3.49Å; L2-A5 PolarHBondContact O-N 3.25Å; L2-A5 VanDerWaalsContact O-N 3.1Å; L2-L6 WeakPolarHBondContact O-CG 3.48Å; L2-L6 PolarHBondContact O-N 3.39Å; L2-L6 VanDerWaalsContact O-N 3.15Å; L2-I119 HydrophobicContact CD2-CG2 3.58Å; L2-W190 HydrophobicContact CB-CE3 4.35Å; L2-W190 HydrophobicContact CB-CH2 3.24Å; L2-W190 HydrophobicContact CB-CZ2 3.58Å; L2-W190 HydrophobicContact CB-CZ3 3.66Å; L2-W190 HydrophobicContact CD1-CD2 3.82Å; L2-W190 HydrophobicContact CD1-CE3 4.1Å; L2-W190 HydrophobicContact CD1-CG 4.41Å; L2-W190 HydrophobicContact CD1-CH2 4.12Å; L2-W190 HydrophobicContact CD1-CZ2 3.78Å; L2-W190 HydrophobicContact CD1-CZ3 4.25Å; L2-W190 HydrophobicContact CG-CH2 4.23Å; L2-W190 HydrophobicContact CG-CZ2 4.32Å; L2-W190 HydrophobicContact CG-CZ3 4.36Å
3	F	54.5	Low	54.9	Low	146 Å²	146	110.2 Å²	110.2	64%	0.64	54%	0.536	S	S	*	.	H	α-helix	trans	-57.4	-43.6	177.9	-172.2	-97.8	0	0	0	112.6	M1 A5 L6 V7	M1-F3 PolarHBondContact O-N 3.42Å; F3-A5 VanDerWaalsContact C-N 3.27Å; F3-A5 PolarHBondContact O-N 2.68Å; F3-L6 PolarHBondContact O-N 3.07Å; F3-V7 HydrophobicContact CD1-CG2 4.47Å; F3-V7 HydrophobicContact CE1-CG2 4.18Å; F3-V7 HydrophobicContact CE2-CG2 4.42Å; F3-V7 HydrophobicContact CZ-CG2 4.15Å; F3-V7 WeakPolarHBondContact O-CG2 3.48Å; F3-V7 PolarHBondContact O-N 3.14Å
4	N	53.9	Low	55.8	Low	127 Å²	127	112.1 Å²	112.1	68%	0.679	54%	0.541	S	S	*	.	H	α-helix	trans	-69.8	-24.8	178.6	-68.3	-3.5	0	0	0	112.8	M1 L2	M1-N4 PolarHBondContact O-N 3.48Å; L2-N4 VanDerWaalsContact C-N 3.33Å; L2-N4 PolarHBondContact O-N 3.49Å
5	A	54	Low	56.9	Low	6 Å²	6	106.9 Å²	106.9	5%	0.05	52%	0.515	C	S	.	.	H	α-helix	trans	-77.9	-27	176.4	0	0	0	0	0	113	L2 F3 L115	L2-A5 WeakPolarHBondContact O-CB 3.49Å; L2-A5 PolarHBondContact O-N 3.25Å; L2-A5 VanDerWaalsContact O-N 3.1Å; F3-A5 VanDerWaalsContact C-N 3.27Å; F3-A5 PolarHBondContact O-N 2.68Å; A5-L115 HydrophobicContact CB-CB 3.49Å; A5-L115 VanDerWaalsContact CB-CB 3.49Å; A5-L115 HydrophobicContact CB-CD1 4.17Å; A5-L115 HydrophobicContact CB-CG 4.45Å
6	L	57.1	Low	58.1	Low	43 Å²	43	102.8 Å²	102.8	23%	0.225	50%	0.504	C	S	.	.	H	α-helix	trans	-84.4	-31	-179.3	-71.8	162.8	0	0	0	113.2	L2 F3 F123 W190	L2-L6 WeakPolarHBondContact O-CG 3.48Å; L2-L6 PolarHBondContact O-N 3.39Å; L2-L6 VanDerWaalsContact O-N 3.15Å; F3-L6 PolarHBondContact O-N 3.07Å; L6-F123 HydrophobicContact CD1-CD1 4.34Å; L6-F123 HydrophobicContact CD1-CE1 4.07Å; L6-F123 HydrophobicContact CD1-CZ 4.35Å; L6-F123 HydrophobicContact CD2-CB 4.48Å; L6-F123 HydrophobicContact CD2-CD1 3.35Å; L6-F123 HydrophobicContact CD2-CE1 3.73Å; L6-F123 HydrophobicContact CD2-CG 4.05Å; L6-F123 HydrophobicContact CG-CD1 4.48Å; L6-W190 HydrophobicContact CD1-CZ3 3.94Å
7	V	55.6	Low	59.6	Low	105 Å²	105	101.6 Å²	101.6	64%	0.636	51%	0.506	S	S	*	.	S	Bend	trans	-91.4	-3.7	-174.1	-178.2	0	0	0	0	113.2	F3	F3-V7 HydrophobicContact CD1-CG2 4.47Å; F3-V7 HydrophobicContact CE1-CG2 4.18Å; F3-V7 HydrophobicContact CE2-CG2 4.42Å; F3-V7 HydrophobicContact CZ-CG2 4.15Å; F3-V7 WeakPolarHBondContact O-CG2 3.48Å; F3-V7 PolarHBondContact O-N 3.14Å
8	G	52.9	Low	60.9	Low	23 Å²	23	99.8 Å²	99.8	24%	0.237	50%	0.498	C	S	.	.	S	Bend	trans	-67.4	147.2	175.1	0	0	0	0	0	113.2	P10	G8-P10 VanDerWaalsContact O-N 3.14Å
9	K	55.2	Low	62	Low	184 Å²	184	96.9 Å²	96.9	80%	0.8	48%	0.484	S	S	*	.			trans	-46	119.4	177.1	-72.1	-175.5	179.1	-179.9	0	110.8	E11	K9-E11 PolarHBondContact O-N 3.46Å
10	P	53.6	Low	63.2	Low	100 Å²	100	96.7 Å²	96.7	65%	0.649	49%	0.488	S	S	*	.			trans	-71.5	111.7	-176.7	26.2	-32.5	0	0	0	110.7	G8 F12	G8-P10 VanDerWaalsContact O-N 3.14Å; P10-F12 HydrophobicContact CB-CD2 4.15Å; P10-F12 HydrophobicContact CG-CD2 4.41Å; P10-F12 PolarHBondContact O-N 3.06Å
11	E	59.1	Low	64.4	Low	89 Å²	89	100.1 Å²	100.1	42%	0.416	50%	0.495	S	S	.	.			trans	-74.4	73.5	168.6	-67	-169.7	-174.1	0	0	110.3	K9 R13 K14 H15	K9-E11 PolarHBondContact O-N 3.46Å; E11-R13 PolarHBondContact O-N 3.27Å; E11-R13 VanDerWaalsContact O-N 3.11Å; E11-K14 PolarHBondContact O-N 3.48Å; E11-K14 VanDerWaalsContact O-N 3.11Å; E11-K14 WeakPolarHBondContact OE2-CD 3.23Å; E11-K14 WeakPolarHBondContact OE2-CE 3.41Å; E11-K14 IonicContact OE2-NZ 3.76Å; E11-K14 PolarHBondContact OE2-NZ 2.94Å; E11-H15 PolarHBondContact O-CD2 3.3Å; E11-H15 PolarHBondContact O-N 3.11Å; E11-H15 VanDerWaalsContact O-N 3.09Å
12	F	56.9	Low	66.4	Low	162 Å²	162	92.1 Å²	92.1	71%	0.711	46%	0.455	S	S	*	.	H	α-helix	trans	-50.3	-40.1	-173	-118.5	-88	0	0	0	113.6	P10 K14 A16	P10-F12 HydrophobicContact CB-CD2 4.15Å; P10-F12 HydrophobicContact CG-CD2 4.41Å; P10-F12 PolarHBondContact O-N 3.06Å; F12-K14 PolarHBondContact O-N 3.4Å; F12-A16 WeakPolarHBondContact O-CB 3.31Å; F12-A16 PolarHBondContact O-N 2.98Å
13	R	61.8	Low	68.2	Low	244 Å²	244	93.6 Å²	93.6	92%	0.921	46%	0.463	S	S	*	.	H	α-helix	trans	-63.6	-35.8	-178.7	-92.1	-172.5	169.6	-168.7	-2.3	114.3	E11	E11-R13 PolarHBondContact O-N 3.27Å; E11-R13 VanDerWaalsContact O-N 3.11Å
14	K	67.7	Low	70	Confident	138 Å²	138	92.8 Å²	92.8	60%	0.6	46%	0.457	S	S	*	.	H	α-helix	trans	-91.2	-32.9	-178.9	-62.9	-173.7	-162.8	144.4	0	112.2	E11 F12	E11-K14 PolarHBondContact O-N 3.48Å; E11-K14 VanDerWaalsContact O-N 3.11Å; E11-K14 WeakPolarHBondContact OE2-CD 3.23Å; E11-K14 WeakPolarHBondContact OE2-CE 3.41Å; E11-K14 IonicContact OE2-NZ 3.76Å; E11-K14 PolarHBondContact OE2-NZ 2.94Å; F12-K14 PolarHBondContact O-N 3.4Å
15	H	71.7	Confident	71.8	Confident	34 Å²	34	88.7 Å²	88.7	16%	0.157	44%	0.435	C	S	.	.	H	α-helix	trans	-84.3	-26.6	-176.7	-63.7	-61.4	0	0	0	113.8	E11 L18 L19 R116	E11-H15 PolarHBondContact O-CD2 3.3Å; E11-H15 PolarHBondContact O-N 3.11Å; E11-H15 VanDerWaalsContact O-N 3.09Å; H15-L18 PolarHBondContact O-N 3.46Å; H15-L19 WeakPolarHBondContact O-CB 3.18Å; H15-L19 PolarHBondContact O-N 3.18Å; H15-R116 PolarHBondContact CE1-O 3.19Å; H15-R116 VanDerWaalsContact CE1-O 3.24Å
16	A	77.2	Confident	73.6	Confident	41 Å²	41	88.6 Å²	88.6	34%	0.339	43%	0.433	S	S	.	.	H	α-helix	trans	-55.1	-50.1	178.9	0	0	0	0	0	114.5	F12 L18 L19 V20	F12-A16 WeakPolarHBondContact O-CB 3.31Å; F12-A16 PolarHBondContact O-N 2.98Å; A16-L18 VanDerWaalsContact C-N 3.3Å; A16-L18 PolarHBondContact O-N 3.3Å; A16-L19 PolarHBondContact O-N 3.1Å; A16-V20 WeakPolarHBondContact O-CG2 3.36Å; A16-V20 PolarHBondContact O-N 3.08Å
17	P	83.8	Confident	75.2	Confident	83 Å²	83	86.9 Å²	86.9	54%	0.539	43%	0.426	S	S	.	.	H	α-helix	trans	-65.6	-34.3	179.8	24.9	-34.5	0	0	0	112.6	R21	P17-R21 PolarHBondContact O-N 2.91Å
18	L	82.4	Confident	77	Confident	68 Å²	68	85.4 Å²	85.4	36%	0.356	42%	0.418	S	S	.	.	H	α-helix	trans	-66.3	-41.5	174.5	-68.4	169.8	0	0	0	111.1	H15 A16 R21 Q22 P121	H15-L18 PolarHBondContact O-N 3.46Å; A16-L18 VanDerWaalsContact C-N 3.3Å; A16-L18 PolarHBondContact O-N 3.3Å; L18-R21 PolarHBondContact O-N 3.36Å; L18-Q22 VanDerWaalsContact O-CG 3.3Å; L18-Q22 WeakPolarHBondContact O-CG 3.33Å; L18-Q22 PolarHBondContact O-N 3.36Å; L18-P121 HydrophobicContact CB-CB 4.23Å; L18-P121 HydrophobicContact CB-CG 4.37Å
19	L	81.6	Confident	78.9	Confident	45 Å²	45	87.4 Å²	87.4	24%	0.236	42%	0.422	C	S	.	.	H	α-helix	trans	-65	-42.3	177.3	-175.8	149.4	0	0	0	111.4	H15 A16 Q22 L23 W124	H15-L19 WeakPolarHBondContact O-CB 3.18Å; H15-L19 PolarHBondContact O-N 3.18Å; A16-L19 PolarHBondContact O-N 3.1Å; L19-Q22 PolarHBondContact O-N 2.96Å; L19-L23 HydrophobicContact CD2-CD1 3.43Å; L19-L23 VanDerWaalsContact CD2-CD1 3.43Å; L19-L23 HydrophobicContact CD2-CG 4.16Å; L19-L23 WeakPolarHBondContact O-CB 3.35Å; L19-L23 PolarHBondContact O-N 3.35Å; L19-W124 HydrophobicContact CD1-CB 4.02Å
20	V	86.5	Confident	80.7	Confident	93 Å²	93	78.7 Å²	78.7	56%	0.564	39%	0.385	S	S	*	.	H	α-helix	trans	-62.2	-43.9	175.6	172.7	0	0	0	0	111.2	A16 Q22 L23 Y24	A16-V20 WeakPolarHBondContact O-CG2 3.36Å; A16-V20 PolarHBondContact O-N 3.08Å; V20-Q22 VanDerWaalsContact C-N 3.31Å; V20-Q22 PolarHBondContact O-N 2.77Å; V20-L23 WeakPolarHBondContact O-CB 3.47Å; V20-L23 PolarHBondContact O-N 2.86Å; V20-Y24 PolarHBondContact O-N 3.44Å
21	R	88.5	Confident	82.7	Confident	169 Å²	169	77.7 Å²	77.7	64%	0.638	37%	0.372	S	S	*	.	H	α-helix	trans	-61.2	-41.4	175.5	-176.2	176	178.2	177.6	-0.1	111.8	P17 L18 Y24 N25	P17-R21 PolarHBondContact O-N 2.91Å; L18-R21 PolarHBondContact O-N 3.36Å; R21-Y24 PolarHBondContact O-N 2.94Å; R21-N25 PolarHBondContact O-N 2.77Å
22	Q	88.9	Confident	84.4	Confident	15 Å²	15	79.6 Å²	79.6	7%	0.07	39%	0.385	C	S	.	.	H	α-helix	trans	-70.2	-37.6	177.4	-68.4	-61.3	-16.4	0	0	112.1	L18 L19 V20 Y24 N25 V26 R122 A125	L18-Q22 VanDerWaalsContact O-CG 3.3Å; L18-Q22 WeakPolarHBondContact O-CG 3.33Å; L18-Q22 PolarHBondContact O-N 3.36Å; L19-Q22 PolarHBondContact O-N 2.96Å; V20-Q22 VanDerWaalsContact C-N 3.31Å; V20-Q22 PolarHBondContact O-N 2.77Å; Q22-Y24 VanDerWaalsContact C-N 3.27Å; Q22-Y24 PolarHBondContact O-N 2.94Å; Q22-N25 PolarHBondContact O-N 2.96Å; Q22-V26 WeakPolarHBondContact O-CB 3.45Å; Q22-V26 VanDerWaalsContact O-CG2 3.31Å; Q22-V26 WeakPolarHBondContact O-CG2 3.49Å; Q22-V26 PolarHBondContact O-N 3.34Å; Q22-R122 HydrophobicContact CG-CG 3.88Å; Q22-A125 HydrophobicContact CB-CB 3.48Å; Q22-A125 VanDerWaalsContact CB-CB 3.48Å
23	L	90.4	Very high	86.2	Confident	50 Å²	50	75.5 Å²	75.5	26%	0.262	37%	0.369	S	S	.	.	I	π-helix	trans	-57.4	-40.2	171.6	-86.6	165.3	0	0	0	112.1	L19 V20 G27 V28 A125 I128	L19-L23 HydrophobicContact CD2-CD1 3.43Å; L19-L23 VanDerWaalsContact CD2-CD1 3.43Å; L19-L23 HydrophobicContact CD2-CG 4.16Å; L19-L23 WeakPolarHBondContact O-CB 3.35Å; L19-L23 PolarHBondContact O-N 3.35Å; V20-L23 WeakPolarHBondContact O-CB 3.47Å; V20-L23 PolarHBondContact O-N 2.86Å; L23-G27 WeakPolarHBondContact O-CA 3.39Å; L23-G27 PolarHBondContact O-N 3.23Å; L23-V28 PolarHBondContact O-N 2.89Å; L23-A125 HydrophobicContact CG-CB 4.34Å; L23-I128 HydrophobicContact CD2-CB 4.2Å; L23-I128 HydrophobicContact CD2-CG2 3.91Å
24	Y	92.2	Very high	87.8	Confident	130 Å²	130	64 Å²	64	51%	0.51	33%	0.326	S	S	.	.	I	π-helix	trans	-65.6	-51	174.2	-177.5	-95.7	0	0	0	111.7	V20 R21 Q22 V28 L29	V20-Y24 PolarHBondContact O-N 3.44Å; R21-Y24 PolarHBondContact O-N 2.94Å; Q22-Y24 VanDerWaalsContact C-N 3.27Å; Q22-Y24 PolarHBondContact O-N 2.94Å; Y24-V28 HydrophobicContact CD2-CB 3.81Å; Y24-V28 HydrophobicContact CD2-CG1 3.98Å; Y24-V28 HydrophobicContact CD2-CG2 3.95Å; Y24-V28 HydrophobicContact CE2-CB 4.15Å; Y24-V28 HydrophobicContact CE2-CG1 3.81Å; Y24-V28 HydrophobicContact CG-CB 4.38Å; Y24-V28 WeakPolarHBondContact O-CB 3.42Å; Y24-V28 PolarHBondContact O-N 2.92Å; Y24-V28 VanDerWaalsContact O-N 3.1Å; Y24-L29 HydrophobicContact CD1-CG 4.48Å; Y24-L29 HydrophobicContact CE1-CD2 4.02Å; Y24-L29 HydrophobicContact CE1-CG 4.21Å; Y24-L29 PolarHBondContact O-N 2.9Å
25	N	90.1	Very high	89.2	Confident	40 Å²	40	59.4 Å²	59.4	21%	0.214	31%	0.309	C	S	.	.	I	π-helix	trans	-66.9	-40.6	-176.1	-80.3	1.3	0	0	0	113.9	R21 Q22	R21-N25 PolarHBondContact O-N 2.77Å; Q22-N25 PolarHBondContact O-N 2.96Å
26	V	91.6	Very high	90.4	Very high	4 Å²	4	61 Å²	61	2%	0.024	32%	0.321	C	S	.	.	I	π-helix	trans	-88.6	-41.8	-174.6	174.5	0	0	0	0	110.6	Q22 S30 F83 A87 L91 S129	Q22-V26 WeakPolarHBondContact O-CB 3.45Å; Q22-V26 VanDerWaalsContact O-CG2 3.31Å; Q22-V26 WeakPolarHBondContact O-CG2 3.49Å; Q22-V26 PolarHBondContact O-N 3.34Å; V26-S30 WeakPolarHBondContact O-CB 3.34Å; V26-S30 PolarHBondContact O-OG 3.3Å; V26-F83 HydrophobicContact CG1-CE1 4.28Å; V26-F83 HydrophobicContact CG1-CE2 3.49Å; V26-F83 VanDerWaalsContact CG1-CE2 3.49Å; V26-F83 HydrophobicContact CG1-CZ 3.19Å; V26-A87 HydrophobicContact CG1-CB 3.89Å; V26-L91 HydrophobicContact CG2-CD1 4.15Å; V26-L91 HydrophobicContact CG2-CD2 3.83Å; V26-L91 HydrophobicContact CG2-CG 4.1Å; V26-S129 WeakPolarHBondContact CG1-OG 3.39Å
27	G	91.6	Very high	91.3	Very high	7 Å²	7	60.5 Å²	60.5	7%	0.072	32%	0.315	C	S	.	.	I	π-helix	trans	-87.5	-71.5	-178.4	0	0	0	0	0	112.9	L23 L29 S30 M31	L23-G27 WeakPolarHBondContact O-CA 3.39Å; L23-G27 PolarHBondContact O-N 3.23Å; G27-L29 VanDerWaalsContact C-N 3.35Å; G27-L29 PolarHBondContact O-N 3.38Å; G27-S30 WeakPolarHBondContact O-CA 3.26Å; G27-S30 WeakPolarHBondContact O-CB 3.48Å; G27-S30 PolarHBondContact O-N 3.14Å; G27-M31 PolarHBondContact O-N 2.82Å; G27-M31 VanDerWaalsContact O-N 3.11Å
28	V	92.7	Very high	91.9	Very high	75 Å²	75	56.5 Å²	56.5	46%	0.455	29%	0.29	S	S	.	.	I	π-helix	trans	-59.7	-42.8	-170.6	179.7	0	0	0	0	112	L23 Y24 S30 M31	L23-V28 PolarHBondContact O-N 2.89Å; Y24-V28 HydrophobicContact CD2-CB 3.81Å; Y24-V28 HydrophobicContact CD2-CG1 3.98Å; Y24-V28 HydrophobicContact CD2-CG2 3.95Å; Y24-V28 HydrophobicContact CE2-CB 4.15Å; Y24-V28 HydrophobicContact CE2-CG1 3.81Å; Y24-V28 HydrophobicContact CG-CB 4.38Å; Y24-V28 WeakPolarHBondContact O-CB 3.42Å; Y24-V28 PolarHBondContact O-N 2.92Å; Y24-V28 VanDerWaalsContact O-N 3.1Å; V28-S30 PolarHBondContact O-N 3.12Å; V28-M31 WeakPolarHBondContact O-CB 3.37Å; V28-M31 PolarHBondContact O-N 3.29Å
29	L	93.2	Very high	92.5	Very high	64 Å²	64	54.6 Å²	54.6	34%	0.335	28%	0.281	S	S	.	.	H	α-helix	trans	-70	-18.4	178.3	-59	178.8	0	0	0	113.6	Y24 G27 R86	Y24-L29 HydrophobicContact CD1-CG 4.48Å; Y24-L29 HydrophobicContact CE1-CD2 4.02Å; Y24-L29 HydrophobicContact CE1-CG 4.21Å; Y24-L29 PolarHBondContact O-N 2.9Å; G27-L29 VanDerWaalsContact C-N 3.35Å; G27-L29 PolarHBondContact O-N 3.38Å; L29-R86 VanDerWaalsContact CD1-NH2 3.32Å; L29-R86 PolarHBondContact O-NH1 2.89Å
30	S	93.3	Very high	93.2	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.014	30%	0.295	C	S	.	.	H	α-helix	trans	-85.4	-18	171.5	-56.2	0	0	0	0	112.5	V26 G27 V28 L32 I33 I34 R86	V26-S30 WeakPolarHBondContact O-CB 3.34Å; V26-S30 PolarHBondContact O-OG 3.3Å; G27-S30 WeakPolarHBondContact O-CA 3.26Å; G27-S30 WeakPolarHBondContact O-CB 3.48Å; G27-S30 PolarHBondContact O-N 3.14Å; V28-S30 PolarHBondContact O-N 3.12Å; S30-L32 VanDerWaalsContact C-N 3.35Å; S30-L32 PolarHBondContact O-N 3.47Å; S30-I33 PolarHBondContact O-N 2.8Å; S30-I34 WeakPolarHBondContact O-CG1 3.42Å; S30-I34 PolarHBondContact O-N 3.3Å; S30-R86 WeakPolarHBondContact OG-CD 3.5Å
31	M	94.8	Very high	93.6	Very high	79 Å²	79	56 Å²	56	39%	0.389	28%	0.28	S	S	.	.	H	α-helix	trans	-58.7	-42	-175	-173.5	-179.1	171.2	0	0	112.7	G27 V28 I33 I34 V35 L133 I136	G27-M31 PolarHBondContact O-N 2.82Å; G27-M31 VanDerWaalsContact O-N 3.11Å; V28-M31 WeakPolarHBondContact O-CB 3.37Å; V28-M31 PolarHBondContact O-N 3.29Å; M31-I33 PolarHBondContact O-N 3.16Å; M31-I34 PolarHBondContact O-N 2.96Å; M31-V35 HydrophobicContact CE-CG2 4.28Å; M31-V35 HydrophobicContact CG-CG2 4.01Å; M31-V35 WeakPolarHBondContact O-CB 3.41Å; M31-V35 VanDerWaalsContact O-CG2 3.3Å; M31-V35 WeakPolarHBondContact O-CG2 3.3Å; M31-V35 PolarHBondContact O-N 3.38Å; M31-L133 HydrophobicContact CB-CD2 3.97Å; M31-L133 HydrophobicContact CG-CD2 4.33Å; M31-I136 HydrophobicContact CE-CD1 4.32Å
32	L	94.6	Very high	93.9	Very high	129 Å²	129	48 Å²	48	68%	0.675	25%	0.249	S	C	*	.	H	α-helix	trans	-58.9	-50	-178.4	-178.8	68.2	0	0	0	112	S30 I34 V35 V36	S30-L32 VanDerWaalsContact C-N 3.35Å; S30-L32 PolarHBondContact O-N 3.47Å; L32-I34 VanDerWaalsContact C-N 3.26Å; L32-I34 PolarHBondContact O-N 2.99Å; L32-V35 PolarHBondContact O-N 3.46Å; L32-V36 HydrophobicContact CD1-CG2 4.28Å; L32-V36 WeakPolarHBondContact O-CB 3.24Å; L32-V36 VanDerWaalsContact O-CG2 3.25Å; L32-V36 WeakPolarHBondContact O-CG2 3.43Å; L32-V36 PolarHBondContact O-N 2.96Å
33	I	94.7	Very high	94.2	Very high	76 Å²	76	48.9 Å²	48.9	39%	0.39	25%	0.254	S	S	.	.	H	α-helix	trans	-62.5	-40.4	-179.7	-60.5	172.6	0	0	0	109.5	S30 M31 S37 L82 R86	S30-I33 PolarHBondContact O-N 2.8Å; M31-I33 PolarHBondContact O-N 3.16Å; I33-S37 VanDerWaalsContact O-CB 3.23Å; I33-S37 WeakPolarHBondContact O-CB 3.26Å; I33-S37 PolarHBondContact O-N 3.27Å; I33-S37 PolarHBondContact O-OG 2.94Å; I33-L82 HydrophobicContact CG2-CD1 4.39Å; I33-L82 HydrophobicContact CG2-CD2 4.04Å; I33-R86 HydrophobicContact CD1-CB 4.38Å; I33-R86 HydrophobicContact CD1-CG 4.23Å
34	I	96.7	Very high	94.5	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-68.8	-42.9	-179	-69.6	179.8	0	0	0	112.1	S30 M31 L32 G38 L82 L133 F137	S30-I34 WeakPolarHBondContact O-CG1 3.42Å; S30-I34 PolarHBondContact O-N 3.3Å; M31-I34 PolarHBondContact O-N 2.96Å; L32-I34 VanDerWaalsContact C-N 3.26Å; L32-I34 PolarHBondContact O-N 2.99Å; I34-G38 WeakPolarHBondContact O-CA 3.48Å; I34-G38 PolarHBondContact O-N 3.31Å; I34-L82 HydrophobicContact CG1-CB 4.34Å; I34-L82 HydrophobicContact CG1-CD1 4.27Å; I34-L133 HydrophobicContact CD1-CB 3.64Å; I34-L133 HydrophobicContact CD1-CD1 3.69Å; I34-L133 HydrophobicContact CD1-CD2 4.02Å; I34-L133 HydrophobicContact CD1-CG 3.98Å; I34-L133 HydrophobicContact CG2-CB 4.49Å; I34-L133 WeakPolarHBondContact CG2-O 3.3Å; I34-F137 HydrophobicContact CG2-CB 3.67Å; I34-F137 HydrophobicContact CG2-CD2 3.91Å; I34-F137 HydrophobicContact CG2-CG 4.28Å; I34-F137 WeakPolarHBondContact O-CD2 3.5Å
35	V	97.2	Very high	94.5	Very high	42 Å²	42	45.1 Å²	45.1	26%	0.255	25%	0.245	S	C	.	.	H	α-helix	trans	-63.2	-50.6	176	169	0	0	0	0	110	M31 L32 S37 G38 V39 I136 V140	M31-V35 HydrophobicContact CE-CG2 4.28Å; M31-V35 HydrophobicContact CG-CG2 4.01Å; M31-V35 WeakPolarHBondContact O-CB 3.41Å; M31-V35 VanDerWaalsContact O-CG2 3.3Å; M31-V35 WeakPolarHBondContact O-CG2 3.3Å; M31-V35 PolarHBondContact O-N 3.38Å; L32-V35 PolarHBondContact O-N 3.46Å; V35-S37 PolarHBondContact O-N 2.89Å; V35-G38 PolarHBondContact O-N 3.1Å; V35-V39 WeakPolarHBondContact O-CG2 3.28Å; V35-V39 PolarHBondContact O-N 3.46Å; V35-I136 HydrophobicContact CG2-CG2 3.72Å; V35-V140 HydrophobicContact CG1-CG1 4.19Å
36	V	96.9	Very high	94.7	Very high	67 Å²	67	43.2 Å²	43.2	41%	0.406	24%	0.235	S	C	.	.	H	α-helix	trans	-59.9	-50.9	-179.9	173	0	0	0	0	110.5	L32 G38 V39 F40	L32-V36 HydrophobicContact CD1-CG2 4.28Å; L32-V36 WeakPolarHBondContact O-CB 3.24Å; L32-V36 VanDerWaalsContact O-CG2 3.25Å; L32-V36 WeakPolarHBondContact O-CG2 3.43Å; L32-V36 PolarHBondContact O-N 2.96Å; V36-G38 VanDerWaalsContact C-N 3.3Å; V36-G38 PolarHBondContact O-N 2.95Å; V36-V39 PolarHBondContact O-N 2.88Å; V36-F40 HydrophobicContact CG1-CD2 3.81Å; V36-F40 HydrophobicContact CG1-CE2 3.78Å; V36-F40 VanDerWaalsContact O-CD2 3.23Å; V36-F40 WeakPolarHBondContact O-CD2 3.48Å; V36-F40 PolarHBondContact O-N 2.92Å; V36-F40 VanDerWaalsContact O-N 3.13Å
37	S	95	Very high	94.8	Very high	31 Å²	31	46.3 Å²	46.3	22%	0.217	25%	0.251	C	S	.	.	H	α-helix	trans	-61.4	-38.3	176.7	-65.3	0	0	0	0	112.5	I33 V35 F40 I41	I33-S37 VanDerWaalsContact O-CB 3.23Å; I33-S37 WeakPolarHBondContact O-CB 3.26Å; I33-S37 PolarHBondContact O-N 3.27Å; I33-S37 PolarHBondContact O-OG 2.94Å; V35-S37 PolarHBondContact O-N 2.89Å; S37-F40 PolarHBondContact O-N 2.79Å; S37-I41 WeakPolarHBondContact O-CB 3.36Å; S37-I41 VanDerWaalsContact O-CG1 3.24Å; S37-I41 WeakPolarHBondContact O-CG1 3.27Å; S37-I41 PolarHBondContact O-N 3.08Å
38	G	96.1	Very high	94.9	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-58.8	-50.8	175.9	0	0	0	0	0	112	I34 V35 V36 F40 I41 G42 G141	I34-G38 WeakPolarHBondContact O-CA 3.48Å; I34-G38 PolarHBondContact O-N 3.31Å; V35-G38 PolarHBondContact O-N 3.1Å; V36-G38 VanDerWaalsContact C-N 3.3Å; V36-G38 PolarHBondContact O-N 2.95Å; G38-F40 PolarHBondContact O-N 3.39Å; G38-I41 PolarHBondContact O-N 3.33Å; G38-G42 PolarHBondContact O-N 3.35Å; G38-G141 VanDerWaalsContact O-CA 3.23Å; G38-G141 WeakPolarHBondContact O-CA 3.31Å
39	V	96.1	Very high	94.9	Very high	28 Å²	28	48.4 Å²	48.4	17%	0.17	26%	0.256	C	S	.	.	H	α-helix	trans	-56.7	-52.6	176.8	-177.8	0	0	0	0	110.1	V35 V36 I41 G42 M43 V140 W143	V35-V39 WeakPolarHBondContact O-CG2 3.28Å; V35-V39 PolarHBondContact O-N 3.46Å; V36-V39 PolarHBondContact O-N 2.88Å; V39-I41 PolarHBondContact O-N 2.82Å; V39-G42 PolarHBondContact O-N 3.28Å; V39-M43 HydrophobicContact CG1-CE 3.89Å; V39-M43 HydrophobicContact CG1-CG 4.21Å; V39-M43 HydrophobicContact CG1-SD 4.03Å; V39-M43 VanDerWaalsContact O-CG 3.29Å; V39-M43 WeakPolarHBondContact O-CG 3.4Å; V39-M43 PolarHBondContact O-N 2.99Å; V39-V140 HydrophobicContact CB-CG1 4.21Å; V39-V140 HydrophobicContact CG2-CG1 3.17Å; V39-W143 HydrophobicContact CG1-CZ3 4.47Å; V39-W143 HydrophobicContact CG2-CZ3 4.43Å
40	F	96.4	Very high	94.9	Very high	122 Å²	122	47.3 Å²	47.3	54%	0.535	25%	0.247	S	C	.	.	H	α-helix	trans	-63.1	-44.1	-176.3	-81.3	-71.7	0	0	0	113.1	V36 S37 G38 G42 M43 V44	V36-F40 HydrophobicContact CG1-CD2 3.81Å; V36-F40 HydrophobicContact CG1-CE2 3.78Å; V36-F40 VanDerWaalsContact O-CD2 3.23Å; V36-F40 WeakPolarHBondContact O-CD2 3.48Å; V36-F40 PolarHBondContact O-N 2.92Å; V36-F40 VanDerWaalsContact O-N 3.13Å; S37-F40 PolarHBondContact O-N 2.79Å; G38-F40 PolarHBondContact O-N 3.39Å; F40-G42 VanDerWaalsContact C-N 3.33Å; F40-G42 PolarHBondContact O-N 2.92Å; F40-M43 HydrophobicContact CB-CE 4.47Å; F40-M43 HydrophobicContact CD1-CE 3.35Å; F40-M43 HydrophobicContact CE1-CE 3.62Å; F40-M43 HydrophobicContact CG-CE 3.96Å; F40-M43 HydrophobicContact CZ-CE 4.42Å; F40-M43 PolarHBondContact O-N 2.97Å; F40-V44 VanDerWaalsContact O-CG2 3.29Å; F40-V44 WeakPolarHBondContact O-CG2 3.09Å; F40-V44 PolarHBondContact O-N 3.3Å
41	I	95	Very high	94.8	Very high	46 Å²	46	51.8 Å²	51.8	24%	0.236	27%	0.271	C	S	.	.	H	α-helix	trans	-64.7	-42	178.2	-70	167.6	0	0	0	110.1	S37 G38 V39 V44 L45 L70 L74 V78 F137	S37-I41 WeakPolarHBondContact O-CB 3.36Å; S37-I41 VanDerWaalsContact O-CG1 3.24Å; S37-I41 WeakPolarHBondContact O-CG1 3.27Å; S37-I41 PolarHBondContact O-N 3.08Å; G38-I41 PolarHBondContact O-N 3.33Å; V39-I41 PolarHBondContact O-N 2.82Å; I41-V44 PolarHBondContact O-N 3.49Å; I41-L45 HydrophobicContact CG2-CD1 3.87Å; I41-L45 HydrophobicContact CG2-CG 4.39Å; I41-L45 WeakPolarHBondContact O-CB 3.48Å; I41-L45 VanDerWaalsContact O-CG 3.26Å; I41-L45 WeakPolarHBondContact O-CG 3.25Å; I41-L45 PolarHBondContact O-N 3.41Å; I41-L70 HydrophobicContact CG2-CD2 4.12Å; I41-L74 HydrophobicContact CG2-CD1 4.47Å; I41-V78 HydrophobicContact CD1-CG1 3.76Å; I41-V78 HydrophobicContact CD1-CG2 4.43Å; I41-F137 HydrophobicContact CB-CZ 4.37Å; I41-F137 HydrophobicContact CD1-CE2 4.04Å; I41-F137 HydrophobicContact CD1-CZ 3.66Å; I41-F137 HydrophobicContact CG2-CZ 4.44Å
42	G	95.6	Very high	94.7	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-57.3	-48.1	172.6	0	0	0	0	0	113.3	G38 V39 F40 L45 G46 G141 G145	G38-G42 PolarHBondContact O-N 3.35Å; V39-G42 PolarHBondContact O-N 3.28Å; F40-G42 VanDerWaalsContact C-N 3.33Å; F40-G42 PolarHBondContact O-N 2.92Å; G42-L45 PolarHBondContact O-N 3.13Å; G42-G46 PolarHBondContact O-N 3.21Å; G42-G141 WeakPolarHBondContact CA-O 3.1Å; G42-G145 VanDerWaalsContact O-CA 3.29Å; G42-G145 WeakPolarHBondContact O-CA 3.4Å; G42-G145 PolarHBondContact O-N 2.92Å
43	M	94.8	Very high	94.5	Very high	33 Å²	33	47.2 Å²	47.2	16%	0.163	25%	0.251	C	S	.	.	H	α-helix	trans	-63.1	-43.1	178.6	-71.2	-170.7	-57.8	0	0	112.2	V39 F40 G46 L47 G144 L147 V148	V39-M43 HydrophobicContact CG1-CE 3.89Å; V39-M43 HydrophobicContact CG1-CG 4.21Å; V39-M43 HydrophobicContact CG1-SD 4.03Å; V39-M43 VanDerWaalsContact O-CG 3.29Å; V39-M43 WeakPolarHBondContact O-CG 3.4Å; V39-M43 PolarHBondContact O-N 2.99Å; F40-M43 HydrophobicContact CB-CE 4.47Å; F40-M43 HydrophobicContact CD1-CE 3.35Å; F40-M43 HydrophobicContact CE1-CE 3.62Å; F40-M43 HydrophobicContact CG-CE 3.96Å; F40-M43 HydrophobicContact CZ-CE 4.42Å; F40-M43 PolarHBondContact O-N 2.97Å; M43-G46 PolarHBondContact O-N 3.46Å; M43-L47 WeakPolarHBondContact O-CB 3.3Å; M43-L47 PolarHBondContact O-N 2.92Å; M43-G144 WeakPolarHBondContact CG-O 3.42Å; M43-L147 HydrophobicContact SD-CD2 4.3Å; M43-V148 HydrophobicContact CB-CG2 3.72Å; M43-V148 HydrophobicContact CG-CG2 3.81Å
44	V	95.4	Very high	94.4	Very high	69 Å²	69	45.9 Å²	45.9	42%	0.418	25%	0.247	S	C	.	.	H	α-helix	trans	-65.9	-45.5	179.3	171.5	0	0	0	0	110.8	F40 I41 G46 L47 Q48	F40-V44 VanDerWaalsContact O-CG2 3.29Å; F40-V44 WeakPolarHBondContact O-CG2 3.09Å; F40-V44 PolarHBondContact O-N 3.3Å; I41-V44 PolarHBondContact O-N 3.49Å; V44-G46 VanDerWaalsContact C-N 3.31Å; V44-G46 PolarHBondContact O-N 3.44Å; V44-L47 PolarHBondContact O-N 2.83Å; V44-Q48 HydrophobicContact CG1-CG 4.36Å; V44-Q48 WeakPolarHBondContact O-CB 3.23Å; V44-Q48 WeakPolarHBondContact O-CG 3.03Å; V44-Q48 PolarHBondContact O-N 3.1Å
45	L	93	Very high	94.1	Very high	33 Å²	33	51 Å²	51	17%	0.173	28%	0.278	C	S	.	.	H	α-helix	trans	-63.5	-38.4	174.9	-70.3	172.3	0	0	0	111.8	I41 G42 G49 V66 L70 L74	I41-L45 HydrophobicContact CG2-CD1 3.87Å; I41-L45 HydrophobicContact CG2-CG 4.39Å; I41-L45 WeakPolarHBondContact O-CB 3.48Å; I41-L45 VanDerWaalsContact O-CG 3.26Å; I41-L45 WeakPolarHBondContact O-CG 3.25Å; I41-L45 PolarHBondContact O-N 3.41Å; G42-L45 PolarHBondContact O-N 3.13Å; L45-G49 VanDerWaalsContact O-CA 3.3Å; L45-G49 WeakPolarHBondContact O-CA 3.39Å; L45-G49 PolarHBondContact O-N 2.93Å; L45-V66 HydrophobicContact CB-CG2 4.35Å; L45-L70 HydrophobicContact CD1-CD2 4.07Å; L45-L70 HydrophobicContact CD1-CG 4.28Å; L45-L74 HydrophobicContact CD1-CD1 3.58Å; L45-L74 HydrophobicContact CD2-CD1 4.2Å; L45-L74 HydrophobicContact CG-CD1 4.42Å
46	G	93.5	Very high	93.9	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-61.3	-47	174.3	0	0	0	0	0	112.1	G42 M43 V44 Y50 L62	G42-G46 PolarHBondContact O-N 3.21Å; M43-G46 PolarHBondContact O-N 3.46Å; V44-G46 VanDerWaalsContact C-N 3.31Å; V44-G46 PolarHBondContact O-N 3.44Å; G46-Y50 WeakPolarHBondContact O-CB 3.47Å; G46-Y50 PolarHBondContact O-N 2.9Å; G46-L62 WeakPolarHBondContact O-CD1 3.39Å
47	L	93.7	Very high	93.6	Very high	69 Å²	69	59.2 Å²	59.2	36%	0.361	32%	0.315	S	S	.	.	H	α-helix	trans	-68.9	-50.6	-179.3	-175.8	60	0	0	0	112	M43 V44 Y50 L51 V148 K153	M43-L47 WeakPolarHBondContact O-CB 3.3Å; M43-L47 PolarHBondContact O-N 2.92Å; V44-L47 PolarHBondContact O-N 2.83Å; L47-Y50 PolarHBondContact O-N 2.95Å; L47-L51 HydrophobicContact CG-CD1 4.45Å; L47-L51 WeakPolarHBondContact O-CG 3.43Å; L47-L51 PolarHBondContact O-N 3.27Å; L47-L51 VanDerWaalsContact O-N 3.14Å; L47-V148 HydrophobicContact CB-CG1 3.95Å; L47-V148 HydrophobicContact CD1-CG1 4.25Å; L47-K153 VanDerWaalsContact CD1-CE 3.44Å
48	Q	94.6	Very high	93.5	Very high	119 Å²	119	59 Å²	59	56%	0.556	32%	0.315	S	S	*	.	H	α-helix	trans	-68.1	-42.5	-178.7	-68.6	-178	7.5	0	0	111.2	V44 Y50 L51 V52	V44-Q48 HydrophobicContact CG1-CG 4.36Å; V44-Q48 WeakPolarHBondContact O-CB 3.23Å; V44-Q48 WeakPolarHBondContact O-CG 3.03Å; V44-Q48 PolarHBondContact O-N 3.1Å; Q48-Y50 VanDerWaalsContact C-N 3.3Å; Q48-Y50 PolarHBondContact O-N 3.27Å; Q48-L51 PolarHBondContact O-N 2.99Å; Q48-V52 WeakPolarHBondContact O-CG2 3.45Å; Q48-V52 PolarHBondContact O-N 2.99Å; Q48-V52 VanDerWaalsContact O-N 3.11Å
49	G	92.9	Very high	93.2	Very high	7 Å²	7	62.7 Å²	62.7	7%	0.072	33%	0.332	C	S	.	.	H	α-helix	trans	-58.4	-43.2	174.6	0	0	0	0	0	111.6	L45 V52 L53	L45-G49 VanDerWaalsContact O-CA 3.3Å; L45-G49 WeakPolarHBondContact O-CA 3.39Å; L45-G49 PolarHBondContact O-N 2.93Å; G49-V52 PolarHBondContact O-N 2.89Å; G49-L53 VanDerWaalsContact O-CB 3.29Å; G49-L53 WeakPolarHBondContact O-CB 3.3Å; G49-L53 WeakPolarHBondContact O-CG 3.32Å; G49-L53 PolarHBondContact O-N 3.26Å
50	Y	93.1	Very high	92.9	Very high	41 Å²	41	64.3 Å²	64.3	16%	0.161	34%	0.342	C	S	.	.	H	α-helix	trans	-59.8	-52.4	177.1	178.4	-96.3	0	0	0	111.7	G46 L47 Q48 V52 L53 T54 E59 K153 I155	G46-Y50 WeakPolarHBondContact O-CB 3.47Å; G46-Y50 PolarHBondContact O-N 2.9Å; L47-Y50 PolarHBondContact O-N 2.95Å; Q48-Y50 VanDerWaalsContact C-N 3.3Å; Q48-Y50 PolarHBondContact O-N 3.27Å; Y50-V52 PolarHBondContact O-N 3.36Å; Y50-L53 PolarHBondContact O-N 3.28Å; Y50-L53 VanDerWaalsContact O-N 3.13Å; Y50-T54 HydrophobicContact CD1-CG2 3.95Å; Y50-T54 HydrophobicContact CD2-CG2 4.14Å; Y50-T54 HydrophobicContact CE1-CG2 3.51Å; Y50-T54 HydrophobicContact CE2-CG2 3.73Å; Y50-T54 HydrophobicContact CG-CG2 4.25Å; Y50-T54 WeakPolarHBondContact O-CG2 3.43Å; Y50-T54 PolarHBondContact O-N 2.81Å; Y50-T54 PolarHBondContact O-OG1 3.04Å; Y50-E59 HydrophobicContact CD2-CB 4.3Å; Y50-E59 HydrophobicContact CE2-CB 4.05Å; Y50-K153 HydrophobicContact CD1-CB 4.13Å; Y50-K153 HydrophobicContact CD1-CD 3.9Å; Y50-K153 HydrophobicContact CD1-CG 3.74Å; Y50-K153 HydrophobicContact CD2-CB 3.85Å; Y50-K153 HydrophobicContact CD2-CG 4.21Å; Y50-K153 HydrophobicContact CE1-CB 3.97Å; Y50-K153 HydrophobicContact CE1-CD 3.78Å; Y50-K153 HydrophobicContact CE1-CG 3.91Å; Y50-K153 HydrophobicContact CE2-CB 3.67Å; Y50-K153 HydrophobicContact CE2-CG 4.35Å; Y50-K153 HydrophobicContact CG-CB 4.07Å; Y50-K153 HydrophobicContact CG-CG 3.89Å; Y50-I155 HydrophobicContact CD2-CD1 3.67Å; Y50-I155 HydrophobicContact CD2-CG1 4.26Å; Y50-I155 HydrophobicContact CE2-CD1 4Å; Y50-I155 HydrophobicContact CE2-CG1 4.06Å
51	L	91.3	Very high	92.8	Very high	96 Å²	96	60.7 Å²	60.7	50%	0.503	33%	0.332	S	S	.	.	H	α-helix	trans	-59.3	-36.1	-178	-67.7	171.6	0	0	0	112.8	L47 Q48 T54 T55	L47-L51 HydrophobicContact CG-CD1 4.45Å; L47-L51 WeakPolarHBondContact O-CG 3.43Å; L47-L51 PolarHBondContact O-N 3.27Å; L47-L51 VanDerWaalsContact O-N 3.14Å; Q48-L51 PolarHBondContact O-N 2.99Å; L51-T54 PolarHBondContact O-OG1 2.81Å; L51-T55 PolarHBondContact O-OG1 2.88Å
52	V	91.9	Very high	92.7	Very high	87 Å²	87	58.5 Å²	58.5	53%	0.527	32%	0.321	S	S	.	.	H	α-helix	trans	-72.6	-46.3	175.9	175.2	0	0	0	0	110.5	Q48 G49 Y50 T54 T55 Y56	Q48-V52 WeakPolarHBondContact O-CG2 3.45Å; Q48-V52 PolarHBondContact O-N 2.99Å; Q48-V52 VanDerWaalsContact O-N 3.11Å; G49-V52 PolarHBondContact O-N 2.89Å; Y50-V52 PolarHBondContact O-N 3.36Å; V52-T54 PolarHBondContact O-N 2.86Å; V52-T55 VanDerWaalsContact O-CB 3.3Å; V52-T55 WeakPolarHBondContact O-CB 3.43Å; V52-T55 PolarHBondContact O-N 2.72Å; V52-T55 PolarHBondContact O-OG1 3.34Å; V52-Y56 HydrophobicContact CG1-CE2 4.39Å; V52-Y56 WeakPolarHBondContact O-CD2 3.47Å
53	L	91.4	Very high	92.7	Very high	25 Å²	25	58.5 Å²	58.5	13%	0.131	32%	0.321	C	S	.	.	H	α-helix	trans	-68.3	-32.6	-176.1	-72.5	171.4	0	0	0	113.5	G49 Y50 T55 Y56 S57 A58 L62 L65	G49-L53 VanDerWaalsContact O-CB 3.29Å; G49-L53 WeakPolarHBondContact O-CB 3.3Å; G49-L53 WeakPolarHBondContact O-CG 3.32Å; G49-L53 PolarHBondContact O-N 3.26Å; Y50-L53 PolarHBondContact O-N 3.28Å; Y50-L53 VanDerWaalsContact O-N 3.13Å; L53-T55 PolarHBondContact O-N 2.77Å; L53-Y56 CarbonylContact O-C 3.46Å; L53-Y56 PolarHBondContact O-N 3.39Å; L53-S57 PolarHBondContact O-N 2.9Å; L53-A58 HydrophobicContact CD2-CB 4.02Å; L53-A58 PolarHBondContact O-N 3.23Å; L53-L62 HydrophobicContact CD1-CB 4.06Å; L53-L62 HydrophobicContact CD1-CD1 4.05Å; L53-L65 HydrophobicContact CD1-CD1 4.06Å; L53-L65 HydrophobicContact CG-CD1 4.34Å
54	T	91.6	Very high	92.7	Very high	48 Å²	48	60.7 Å²	60.7	29%	0.294	33%	0.331	S	S	.	.	H	α-helix	trans	-61.5	-30.5	174.6	49.3	0	0	0	0	112	Y50 L51 V52 Y56 S57 E59	Y50-T54 HydrophobicContact CD1-CG2 3.95Å; Y50-T54 HydrophobicContact CD2-CG2 4.14Å; Y50-T54 HydrophobicContact CE1-CG2 3.51Å; Y50-T54 HydrophobicContact CE2-CG2 3.73Å; Y50-T54 HydrophobicContact CG-CG2 4.25Å; Y50-T54 WeakPolarHBondContact O-CG2 3.43Å; Y50-T54 PolarHBondContact O-N 2.81Å; Y50-T54 PolarHBondContact O-OG1 3.04Å; L51-T54 PolarHBondContact O-OG1 2.81Å; V52-T54 PolarHBondContact O-N 2.86Å; T54-Y56 PolarHBondContact O-N 2.81Å; T54-S57 PolarHBondContact O-N 2.77Å; T54-E59 HydrophobicContact CG2-CB 4.26Å
55	T	89.9	Confident	92.6	Very high	108 Å²	108	60.1 Å²	60.1	66%	0.663	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-25.1	176.5	-50.5	0	0	0	0	111.9	L51 V52 L53	L51-T55 PolarHBondContact O-OG1 2.88Å; V52-T55 VanDerWaalsContact O-CB 3.3Å; V52-T55 WeakPolarHBondContact O-CB 3.43Å; V52-T55 PolarHBondContact O-N 2.72Å; V52-T55 PolarHBondContact O-OG1 3.34Å; L53-T55 PolarHBondContact O-N 2.77Å
56	Y	93	Very high	92.7	Very high	176 Å²	176	58.6 Å²	58.6	69%	0.69	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.3	12.1	179.8	-59.6	-77.5	0	0	0	113.2	V52 L53 T54 A58	V52-Y56 HydrophobicContact CG1-CE2 4.39Å; V52-Y56 WeakPolarHBondContact O-CD2 3.47Å; L53-Y56 CarbonylContact O-C 3.46Å; L53-Y56 PolarHBondContact O-N 3.39Å; T54-Y56 PolarHBondContact O-N 2.81Å; Y56-A58 PolarHBondContact O-N 3.11Å
57	S	91.5	Very high	92.9	Very high	106 Å²	106	58.6 Å²	58.6	74%	0.741	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	33	-175.2	-171	0	0	0	0	113.6	L53 T54	L53-S57 PolarHBondContact O-N 2.9Å; T54-S57 PolarHBondContact O-N 2.77Å
58	A	93	Very high	92.9	Very high	27 Å²	27	56.2 Å²	56.2	22%	0.223	31%	0.305	C	S	.	.			trans	-118.6	25.3	-172.9	0	0	0	0	0	113.1	L53 Y56 T60 S61	L53-A58 HydrophobicContact CD2-CB 4.02Å; L53-A58 PolarHBondContact O-N 3.23Å; Y56-A58 PolarHBondContact O-N 3.11Å; A58-T60 PolarHBondContact O-N 3.09Å; A58-S61 WeakPolarHBondContact O-CB 3.36Å; A58-S61 PolarHBondContact O-N 2.91Å
59	E	90.5	Very high	92.9	Very high	77 Å²	77	52.5 Å²	52.5	36%	0.36	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-58.7	-26.5	-176.9	60.7	-150.3	-144	0	0	114.4	Y50 T54 S61 L62 I155	Y50-E59 HydrophobicContact CD2-CB 4.3Å; Y50-E59 HydrophobicContact CE2-CB 4.05Å; T54-E59 HydrophobicContact CG2-CB 4.26Å; E59-S61 PolarHBondContact O-N 2.98Å; E59-L62 VanDerWaalsContact O-CB 3.31Å; E59-L62 WeakPolarHBondContact O-CB 3.42Å; E59-L62 PolarHBondContact O-N 3.12Å; E59-L62 VanDerWaalsContact O-N 3.15Å; E59-I155 HydrophobicContact CB-CD1 4.45Å; E59-I155 HydrophobicContact CB-CG1 4.5Å; E59-I155 WeakPolarHBondContact O-CD1 2.92Å
60	T	89.5	Confident	93	Very high	62 Å²	62	52.2 Å²	52.2	38%	0.38	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-62.8	-21.1	173.6	56	0	0	0	0	113.2	A58 L62 F159 A163	A58-T60 PolarHBondContact O-N 3.09Å; T60-L62 VanDerWaalsContact C-N 3.27Å; T60-L62 PolarHBondContact O-N 3.28Å; T60-F159 HydrophobicContact CG2-CB 4.37Å; T60-F159 HydrophobicContact CG2-CD1 4.36Å; T60-F159 HydrophobicContact CG2-CG 4.35Å; T60-A163 WeakPolarHBondContact O-CB 3.42Å
61	S	93.4	Very high	93.1	Very high	45 Å²	45	50.6 Å²	50.6	32%	0.315	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-83.9	2.9	178.8	-59	0	0	0	0	113.5	A58 E59 G63 M64 L65	A58-S61 WeakPolarHBondContact O-CB 3.36Å; A58-S61 PolarHBondContact O-N 2.91Å; E59-S61 PolarHBondContact O-N 2.98Å; S61-G63 VanDerWaalsContact C-N 3.33Å; S61-G63 PolarHBondContact O-N 3.36Å; S61-M64 WeakPolarHBondContact O-CB 3.5Å; S61-M64 PolarHBondContact O-N 2.85Å; S61-L65 PolarHBondContact O-N 3.45Å
62	L	94.1	Very high	93.1	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-58.5	-42.9	-177.4	-176.5	65.9	0	0	0	112.7	G46 L53 E59 T60 M64 L65 V66 I155 F160	G46-L62 WeakPolarHBondContact O-CD1 3.39Å; L53-L62 HydrophobicContact CD1-CB 4.06Å; L53-L62 HydrophobicContact CD1-CD1 4.05Å; E59-L62 VanDerWaalsContact O-CB 3.31Å; E59-L62 WeakPolarHBondContact O-CB 3.42Å; E59-L62 PolarHBondContact O-N 3.12Å; E59-L62 VanDerWaalsContact O-N 3.15Å; T60-L62 VanDerWaalsContact C-N 3.27Å; T60-L62 PolarHBondContact O-N 3.28Å; L62-M64 VanDerWaalsContact C-N 3.35Å; L62-M64 PolarHBondContact O-N 3.32Å; L62-L65 PolarHBondContact O-N 2.91Å; L62-V66 HydrophobicContact CD1-CG2 4.29Å; L62-V66 HydrophobicContact CG-CG2 4.39Å; L62-V66 WeakPolarHBondContact O-CG2 3.41Å; L62-V66 PolarHBondContact O-N 3.3Å; L62-I155 HydrophobicContact CB-CD1 3.84Å; L62-I155 HydrophobicContact CD2-CD1 3.43Å; L62-I155 VanDerWaalsContact CD2-CD1 3.43Å; L62-I155 HydrophobicContact CG-CD1 4.28Å; L62-F160 HydrophobicContact CD2-CE2 4.42Å; L62-F160 HydrophobicContact CG-CE2 4.32Å
63	G	93.9	Very high	92.9	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61.9	-41.7	-179.9	0	0	0	0	0	112.7	S61 A67	S61-G63 VanDerWaalsContact C-N 3.33Å; S61-G63 PolarHBondContact O-N 3.36Å; G63-A67 VanDerWaalsContact O-CB 3.31Å; G63-A67 WeakPolarHBondContact O-CB 3.42Å; G63-A67 PolarHBondContact O-N 2.75Å
64	M	95	Very high	92.9	Very high	79 Å²	79	51.2 Å²	51.2	39%	0.389	27%	0.274	S	S	.	.	H	α-helix	trans	-59.9	-48.5	172.7	165.9	178.6	-175.6	0	0	111.4	S61 L62 A67 L68 A167	S61-M64 WeakPolarHBondContact O-CB 3.5Å; S61-M64 PolarHBondContact O-N 2.85Å; L62-M64 VanDerWaalsContact C-N 3.35Å; L62-M64 PolarHBondContact O-N 3.32Å; M64-A67 PolarHBondContact O-N 3.1Å; M64-L68 HydrophobicContact CE-CD1 3.6Å; M64-L68 HydrophobicContact CG-CD1 3.75Å; M64-L68 HydrophobicContact CG-CG 4.29Å; M64-L68 WeakPolarHBondContact O-CB 3.27Å; M64-L68 VanDerWaalsContact O-CG 3.31Å; M64-L68 WeakPolarHBondContact O-CG 3.18Å; M64-L68 PolarHBondContact O-N 2.93Å; M64-A167 HydrophobicContact CB-CB 3.8Å; M64-A167 HydrophobicContact CE-CB 3.92Å; M64-A167 HydrophobicContact CG-CB 3.36Å; M64-A167 HydrophobicContact SD-CB 3.51Å; M64-A167 VanDerWaalsContact SD-CB 3.51Å
65	L	94.3	Very high	92.9	Very high	58 Å²	58	48.9 Å²	48.9	30%	0.304	26%	0.26	S	S	.	.	H	α-helix	trans	-57.5	-53.5	179.7	-175.9	161.4	0	0	0	110.5	L53 S61 L62 A67 S69	L53-L65 HydrophobicContact CD1-CD1 4.06Å; L53-L65 HydrophobicContact CG-CD1 4.34Å; S61-L65 PolarHBondContact O-N 3.45Å; L62-L65 PolarHBondContact O-N 2.91Å; L65-A67 PolarHBondContact O-N 3.29Å; L65-S69 VanDerWaalsContact O-CB 3.28Å; L65-S69 WeakPolarHBondContact O-CB 3.31Å; L65-S69 PolarHBondContact O-N 3.5Å; L65-S69 PolarHBondContact O-OG 2.89Å
66	V	95.5	Very high	93.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.1	-48.8	-178.2	173.4	0	0	0	0	111.1	L45 L62 L70	L45-V66 HydrophobicContact CB-CG2 4.35Å; L62-V66 HydrophobicContact CD1-CG2 4.29Å; L62-V66 HydrophobicContact CG-CG2 4.39Å; L62-V66 WeakPolarHBondContact O-CG2 3.41Å; L62-V66 PolarHBondContact O-N 3.3Å; V66-L70 HydrophobicContact CG1-CD1 3.8Å; V66-L70 WeakPolarHBondContact O-CB 3.31Å; V66-L70 VanDerWaalsContact O-CG 3.27Å; V66-L70 WeakPolarHBondContact O-CG 3.45Å; V66-L70 PolarHBondContact O-N 3.27Å
67	A	96.1	Very high	93	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-66.9	-45.2	-176.4	0	0	0	0	0	112.7	G63 M64 L65 L70 L71 I142 M164 V168	G63-A67 VanDerWaalsContact O-CB 3.31Å; G63-A67 WeakPolarHBondContact O-CB 3.42Å; G63-A67 PolarHBondContact O-N 2.75Å; M64-A67 PolarHBondContact O-N 3.1Å; L65-A67 PolarHBondContact O-N 3.29Å; A67-L70 PolarHBondContact O-N 3.3Å; A67-L71 VanDerWaalsContact O-CB 3.28Å; A67-L71 WeakPolarHBondContact O-CB 3.33Å; A67-L71 WeakPolarHBondContact O-CG 3.41Å; A67-L71 PolarHBondContact O-N 3.38Å; A67-I142 HydrophobicContact CB-CD1 3.98Å; A67-I142 HydrophobicContact CB-CG1 4.19Å; A67-M164 HydrophobicContact CB-CG 3.42Å; A67-M164 VanDerWaalsContact CB-CG 3.42Å; A67-M164 HydrophobicContact CB-SD 3.73Å; A67-V168 HydrophobicContact CB-CG2 3.85Å
68	L	95	Very high	93.2	Very high	20 Å²	20	33.8 Å²	33.8	11%	0.105	18%	0.182	C	C	.	.	H	α-helix	trans	-66.8	-40.1	179.5	-67.8	-176.2	0	0	0	111.7	M64 L70 R72 A167 V168 D173	M64-L68 HydrophobicContact CE-CD1 3.6Å; M64-L68 HydrophobicContact CG-CD1 3.75Å; M64-L68 HydrophobicContact CG-CG 4.29Å; M64-L68 WeakPolarHBondContact O-CB 3.27Å; M64-L68 VanDerWaalsContact O-CG 3.31Å; M64-L68 WeakPolarHBondContact O-CG 3.18Å; M64-L68 PolarHBondContact O-N 2.93Å; L68-L70 VanDerWaalsContact C-N 3.35Å; L68-L70 PolarHBondContact O-N 2.97Å; L68-R72 VanDerWaalsContact O-CB 3.25Å; L68-R72 WeakPolarHBondContact O-CB 3.27Å; L68-R72 WeakPolarHBondContact O-CG 3.44Å; L68-R72 PolarHBondContact O-N 3.19Å; L68-A167 HydrophobicContact CD1-CB 4.4Å; L68-V168 HydrophobicContact CD2-CG2 4.09Å; L68-D173 WeakPolarHBondContact CD2-OD2 3.49Å
69	S	94	Very high	93.2	Very high	41 Å²	41	32.5 Å²	32.5	29%	0.287	17%	0.171	S	C	.	.	H	α-helix	trans	-61.7	-41.4	175	-66.1	0	0	0	0	112.3	L65 E73 L74	L65-S69 VanDerWaalsContact O-CB 3.28Å; L65-S69 WeakPolarHBondContact O-CB 3.31Å; L65-S69 PolarHBondContact O-N 3.5Å; L65-S69 PolarHBondContact O-OG 2.89Å; S69-E73 PolarHBondContact O-N 3.14Å; S69-L74 PolarHBondContact O-N 3.15Å
70	L	95.3	Very high	93.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.154	C	C	.	.	I	π-helix	trans	-72.5	-47.2	177.4	-70.3	173.3	0	0	0	112.3	I41 L45 V66 A67 L68 L74 G75 F137 V138 G141 I142	I41-L70 HydrophobicContact CG2-CD2 4.12Å; L45-L70 HydrophobicContact CD1-CD2 4.07Å; L45-L70 HydrophobicContact CD1-CG 4.28Å; V66-L70 HydrophobicContact CG1-CD1 3.8Å; V66-L70 WeakPolarHBondContact O-CB 3.31Å; V66-L70 VanDerWaalsContact O-CG 3.27Å; V66-L70 WeakPolarHBondContact O-CG 3.45Å; V66-L70 PolarHBondContact O-N 3.27Å; A67-L70 PolarHBondContact O-N 3.3Å; L68-L70 VanDerWaalsContact C-N 3.35Å; L68-L70 PolarHBondContact O-N 2.97Å; L70-L74 HydrophobicContact CD2-CB 4.21Å; L70-G75 WeakPolarHBondContact O-CA 3.24Å; L70-G75 PolarHBondContact O-N 3.22Å; L70-F137 HydrophobicContact CD2-CE1 3.86Å; L70-V138 HydrophobicContact CB-CG1 4.36Å; L70-V138 HydrophobicContact CB-CG2 4.43Å; L70-G141 VanDerWaalsContact CD1-C 3.44Å; L70-I142 HydrophobicContact CD1-CG1 4.03Å
71	L	94.7	Very high	93.6	Very high	7 Å²	7	29 Å²	29	4%	0.037	15%	0.152	C	C	.	.	I	π-helix	trans	-67.5	-44.7	-176.6	-78.5	164	0	0	0	112.4	A67 V138 V168 D173 L174 C177	A67-L71 VanDerWaalsContact O-CB 3.28Å; A67-L71 WeakPolarHBondContact O-CB 3.33Å; A67-L71 WeakPolarHBondContact O-CG 3.41Å; A67-L71 PolarHBondContact O-N 3.38Å; L71-V138 HydrophobicContact CD2-CG1 3.73Å; L71-V138 HydrophobicContact CG-CG1 3.88Å; L71-V168 HydrophobicContact CD1-CB 4.43Å; L71-V168 HydrophobicContact CD1-CG1 3.56Å; L71-V168 HydrophobicContact CD1-CG2 3.9Å; L71-D173 HydrophobicContact CB-CB 4.38Å; L71-D173 HydrophobicContact CD1-CB 4.23Å; L71-L174 HydrophobicContact CD2-CD2 3.98Å; L71-L174 HydrophobicContact CD2-CG 4.21Å; L71-C177 HydrophobicContact CD2-CB 4.07Å; L71-C177 VanDerWaalsContact O-CB 3.26Å; L71-C177 WeakPolarHBondContact O-CB 3.43Å; L71-C177 PolarHBondContact O-SG 2.71Å
72	R	91.5	Very high	93.6	Very high	101 Å²	101	29.1 Å²	29.1	38%	0.381	15%	0.149	S	C	.	.	I	π-helix	trans	-79.9	-38.5	-171.8	-64.6	-178.7	173.6	168.4	7.3	112.6	L68 D173 K180	L68-R72 VanDerWaalsContact O-CB 3.25Å; L68-R72 WeakPolarHBondContact O-CB 3.27Å; L68-R72 WeakPolarHBondContact O-CG 3.44Å; L68-R72 PolarHBondContact O-N 3.19Å; R72-D173 IonicContact CZ-OD1 3Å; R72-D173 IonicContact CZ-OD2 3.16Å; R72-D173 IonicContact NE-OD1 2.59Å; R72-D173 PolarHBondContact NE-OD1 3.08Å; R72-D173 IonicContact NE-OD2 2.65Å; R72-D173 VanDerWaalsContact NH2-CG 3.35Å; R72-D173 IonicContact NH2-OD1 2.84Å; R72-D173 PolarHBondContact NH2-OD1 3.07Å; R72-D173 IonicContact NH2-OD2 2.83Å; R72-D173 PolarHBondContact NH2-OD2 2.96Å; R72-D173 VanDerWaalsContact NH2-OD2 3.08Å; R72-K180 PolarHBondContact O-NZ 3.07Å
73	E	88.2	Confident	93.7	Very high	59 Å²	59	29.1 Å²	29.1	28%	0.276	15%	0.149	S	C	.	.	I	π-helix	trans	-127	-68.4	-168	-55.3	-48.2	139.7	0	0	113.9	S69 G75 V77 K180 K225 E228	S69-E73 PolarHBondContact O-N 3.14Å; E73-G75 PolarHBondContact O-N 3.21Å; E73-V77 WeakPolarHBondContact O-CB 3.22Å; E73-V77 VanDerWaalsContact O-CG2 3.29Å; E73-V77 WeakPolarHBondContact O-CG2 3.44Å; E73-V77 PolarHBondContact O-N 3.2Å; E73-K180 IonicContact OE1-NZ 2.83Å; E73-K225 IonicContact OE1-NZ 3.85Å; E73-K225 PolarHBondContact OE1-NZ 3.37Å; E73-K225 IonicContact OE2-NZ 2.87Å; E73-K225 PolarHBondContact OE2-NZ 3.36Å; E73-E228 VanDerWaalsContact OE2-OE2 3.07Å
74	L	90.6	Very high	93.7	Very high	61 Å²	61	29.1 Å²	29.1	32%	0.319	15%	0.149	S	C	.	.	I	π-helix	trans	-68.8	-36.7	-165.2	-66.3	175.1	0	0	0	112.3	I41 L45 S69 L70 V78	I41-L74 HydrophobicContact CG2-CD1 4.47Å; L45-L74 HydrophobicContact CD1-CD1 3.58Å; L45-L74 HydrophobicContact CD2-CD1 4.2Å; L45-L74 HydrophobicContact CG-CD1 4.42Å; S69-L74 PolarHBondContact O-N 3.15Å; L70-L74 HydrophobicContact CD2-CB 4.21Å; L74-V78 HydrophobicContact CB-CG2 4.42Å; L74-V78 HydrophobicContact CD2-CG2 4.45Å; L74-V78 WeakPolarHBondContact O-CA 3.28Å; L74-V78 WeakPolarHBondContact O-CB 3.13Å; L74-V78 WeakPolarHBondContact O-CG2 3.22Å; L74-V78 PolarHBondContact O-N 3.14Å
75	G	92.9	Very high	93.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-59.1	-64.5	-178.1	0	0	0	0	0	112.9	L70 E73 V77 A79	L70-G75 WeakPolarHBondContact O-CA 3.24Å; L70-G75 PolarHBondContact O-N 3.22Å; E73-G75 PolarHBondContact O-N 3.21Å; G75-V77 VanDerWaalsContact C-N 3.33Å; G75-V77 PolarHBondContact O-N 3.16Å; G75-A79 WeakPolarHBondContact O-CB 3.44Å; G75-A79 PolarHBondContact O-N 3Å
76	P	92.7	Very high	93.7	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.006	15%	0.149	C	C	.	.	H	α-helix	trans	-57.8	-43.6	178.8	-26.8	35.7	0	0	0	112.9	A80 T134 C177 K180 F184	P76-A80 WeakPolarHBondContact O-CB 3.38Å; P76-A80 PolarHBondContact O-N 2.73Å; P76-A80 VanDerWaalsContact O-N 3.07Å; P76-T134 HydrophobicContact CB-CG2 4.48Å; P76-T134 HydrophobicContact CG-CG2 4.21Å; P76-C177 HydrophobicContact CG-CB 4.41Å; P76-C177 VanDerWaalsContact CG-SG 3.53Å; P76-K180 HydrophobicContact CB-CB 4.06Å; P76-K180 HydrophobicContact CG-CB 4.27Å; P76-F184 HydrophobicContact CB-CD2 3.98Å; P76-F184 HydrophobicContact CB-CE2 3.77Å; P76-F184 WeakPolarHBondContact O-CD2 3.3Å
77	V	92.2	Very high	93.6	Very high	44 Å²	44	28.2 Å²	28.2	27%	0.267	15%	0.149	S	C	.	.	H	α-helix	trans	-72.4	-48.8	-173.9	176.9	0	0	0	0	111.8	E73 G75 A80 L81 F184	E73-V77 WeakPolarHBondContact O-CB 3.22Å; E73-V77 VanDerWaalsContact O-CG2 3.29Å; E73-V77 WeakPolarHBondContact O-CG2 3.44Å; E73-V77 PolarHBondContact O-N 3.2Å; G75-V77 VanDerWaalsContact C-N 3.33Å; G75-V77 PolarHBondContact O-N 3.16Å; V77-A80 PolarHBondContact O-N 2.89Å; V77-L81 HydrophobicContact CG1-CD1 3.97Å; V77-L81 WeakPolarHBondContact O-CG 3.49Å; V77-L81 PolarHBondContact O-N 3.3Å; V77-F184 HydrophobicContact CG2-CE2 3.83Å; V77-F184 HydrophobicContact CG2-CZ 4.16Å
78	V	94	Very high	93.6	Very high	27 Å²	27	28.2 Å²	28.2	16%	0.164	15%	0.149	C	C	.	.	H	α-helix	trans	-68.3	-43.3	-178.4	177.2	0	0	0	0	110.6	I41 L74 A80 L81 L82 F137	I41-V78 HydrophobicContact CD1-CG1 3.76Å; I41-V78 HydrophobicContact CD1-CG2 4.43Å; L74-V78 HydrophobicContact CB-CG2 4.42Å; L74-V78 HydrophobicContact CD2-CG2 4.45Å; L74-V78 WeakPolarHBondContact O-CA 3.28Å; L74-V78 WeakPolarHBondContact O-CB 3.13Å; L74-V78 WeakPolarHBondContact O-CG2 3.22Å; L74-V78 PolarHBondContact O-N 3.14Å; V78-A80 VanDerWaalsContact C-N 3.28Å; V78-A80 PolarHBondContact O-N 2.97Å; V78-L81 PolarHBondContact O-N 2.92Å; V78-L82 HydrophobicContact CG1-CD1 3.86Å; V78-L82 HydrophobicContact CG1-CG 4.17Å; V78-L82 WeakPolarHBondContact O-CG 3.15Å; V78-L82 PolarHBondContact O-N 3.31Å; V78-F137 HydrophobicContact CB-CE1 4.43Å; V78-F137 HydrophobicContact CB-CE2 4.36Å; V78-F137 HydrophobicContact CB-CZ 3.9Å; V78-F137 HydrophobicContact CG1-CE2 3.82Å; V78-F137 HydrophobicContact CG1-CZ 3.75Å
79	A	94.8	Very high	93.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-58.3	-43.4	174.9	0	0	0	0	0	111	G75 F83 L130 T134	G75-A79 WeakPolarHBondContact O-CB 3.44Å; G75-A79 PolarHBondContact O-N 3Å; A79-F83 WeakPolarHBondContact O-CB 3.34Å; A79-F83 PolarHBondContact O-N 2.98Å; A79-L130 HydrophobicContact CB-CD1 4.1Å; A79-T134 WeakPolarHBondContact CB-OG1 3.46Å
80	A	93.6	Very high	93.7	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65.6	-38.7	178	0	0	0	0	0	113	P76 V77 V78 A84 L130 F184 F221	P76-A80 WeakPolarHBondContact O-CB 3.38Å; P76-A80 PolarHBondContact O-N 2.73Å; P76-A80 VanDerWaalsContact O-N 3.07Å; V77-A80 PolarHBondContact O-N 2.89Å; V78-A80 VanDerWaalsContact C-N 3.28Å; V78-A80 PolarHBondContact O-N 2.97Å; A80-A84 WeakPolarHBondContact O-CB 3.43Å; A80-A84 PolarHBondContact O-N 3.05Å; A80-L130 HydrophobicContact CB-CD2 3.98Å; A80-F184 HydrophobicContact CB-CB 3.82Å; A80-F184 HydrophobicContact CB-CD2 3.88Å; A80-F184 HydrophobicContact CB-CG 4.14Å; A80-F221 HydrophobicContact CB-CD2 3.99Å; A80-F221 HydrophobicContact CB-CE1 4.16Å; A80-F221 HydrophobicContact CB-CE2 3.59Å; A80-F221 HydrophobicContact CB-CG 4.44Å; A80-F221 HydrophobicContact CB-CZ 3.68Å
81	L	93.8	Very high	93.6	Very high	66 Å²	66	28 Å²	28	35%	0.346	15%	0.152	S	C	.	.	H	α-helix	trans	-66.5	-47.2	176.2	-75.3	168.7	0	0	0	112.3	V77 V78 F83 A84 G85 S218 F221	V77-L81 HydrophobicContact CG1-CD1 3.97Å; V77-L81 WeakPolarHBondContact O-CG 3.49Å; V77-L81 PolarHBondContact O-N 3.3Å; V78-L81 PolarHBondContact O-N 2.92Å; L81-F83 VanDerWaalsContact C-N 3.29Å; L81-F83 PolarHBondContact O-N 2.94Å; L81-A84 PolarHBondContact O-N 3.49Å; L81-G85 PolarHBondContact O-N 3.43Å; L81-S218 VanDerWaalsContact CD2-CB 3.5Å; L81-F221 HydrophobicContact CD2-CD2 4Å; L81-F221 HydrophobicContact CD2-CE2 4.3Å; L81-F221 HydrophobicContact CG-CD2 4.18Å; L81-F221 HydrophobicContact CG-CE2 4.5Å
82	L	93.9	Very high	93.7	Very high	47 Å²	47	27.7 Å²	27.7	25%	0.246	15%	0.15	C	C	.	.	H	α-helix	trans	-62.5	-40.8	176.6	-67.7	175	0	0	0	111	I33 I34 V78 G85 R86	I33-L82 HydrophobicContact CG2-CD1 4.39Å; I33-L82 HydrophobicContact CG2-CD2 4.04Å; I34-L82 HydrophobicContact CG1-CB 4.34Å; I34-L82 HydrophobicContact CG1-CD1 4.27Å; V78-L82 HydrophobicContact CG1-CD1 3.86Å; V78-L82 HydrophobicContact CG1-CG 4.17Å; V78-L82 WeakPolarHBondContact O-CG 3.15Å; V78-L82 PolarHBondContact O-N 3.31Å; L82-G85 PolarHBondContact O-N 3.45Å; L82-R86 PolarHBondContact O-N 2.9Å; L82-R86 VanDerWaalsContact O-N 3.08Å
83	F	96	Very high	93.9	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.8	-43.8	174.7	-173.8	-85.4	0	0	0	112	V26 A79 L81 G85 R86 A87 G88 S129 L130 L133 V188	V26-F83 HydrophobicContact CG1-CE1 4.28Å; V26-F83 HydrophobicContact CG1-CE2 3.49Å; V26-F83 VanDerWaalsContact CG1-CE2 3.49Å; V26-F83 HydrophobicContact CG1-CZ 3.19Å; A79-F83 WeakPolarHBondContact O-CB 3.34Å; A79-F83 PolarHBondContact O-N 2.98Å; L81-F83 VanDerWaalsContact C-N 3.29Å; L81-F83 PolarHBondContact O-N 2.94Å; F83-G85 VanDerWaalsContact C-N 3.33Å; F83-G85 PolarHBondContact O-N 2.72Å; F83-R86 PolarHBondContact O-N 2.93Å; F83-A87 HydrophobicContact CD1-CB 4.04Å; F83-A87 HydrophobicContact CD2-CB 3.84Å; F83-A87 HydrophobicContact CE1-CB 3.91Å; F83-A87 HydrophobicContact CE2-CB 3.71Å; F83-A87 HydrophobicContact CG-CB 4.02Å; F83-A87 HydrophobicContact CZ-CB 3.76Å; F83-A87 CarbonylContact O-C 3.53Å; F83-A87 WeakPolarHBondContact O-CA 3.24Å; F83-A87 WeakPolarHBondContact O-CB 3.25Å; F83-A87 PolarHBondContact O-N 2.93Å; F83-G88 PolarHBondContact O-N 3.09Å; F83-S129 WeakPolarHBondContact CE2-OG 3.2Å; F83-L130 HydrophobicContact CB-CD1 3.73Å; F83-L130 HydrophobicContact CD2-CB 4.23Å; F83-L130 HydrophobicContact CD2-CD1 4.11Å; F83-L130 HydrophobicContact CE2-CB 4.24Å; F83-L130 HydrophobicContact CG-CB 4.42Å; F83-L130 HydrophobicContact CG-CD1 3.93Å; F83-L130 HydrophobicContact CZ-CB 4.46Å; F83-L133 HydrophobicContact CD2-CD1 3.88Å; F83-L133 HydrophobicContact CE2-CD1 4.16Å; F83-V188 HydrophobicContact CD1-CG1 3.68Å; F83-V188 HydrophobicContact CD1-CG2 4.22Å; F83-V188 HydrophobicContact CE1-CG1 3.72Å
84	A	94.7	Very high	94.2	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.008	15%	0.146	C	C	.	.	I	π-helix	trans	-59.3	-44.5	175.8	0	0	0	0	0	111.7	A80 L81 G88 S89 V188 F221	A80-A84 WeakPolarHBondContact O-CB 3.43Å; A80-A84 PolarHBondContact O-N 3.05Å; L81-A84 PolarHBondContact O-N 3.49Å; A84-G88 CarbonylContact O-C 3.57Å; A84-G88 WeakPolarHBondContact O-CA 3.15Å; A84-G88 PolarHBondContact O-N 3.16Å; A84-S89 PolarHBondContact O-N 2.68Å; A84-S89 PolarHBondContact O-OG 2.72Å; A84-V188 HydrophobicContact CB-CG2 3.55Å; A84-F221 HydrophobicContact CB-CE2 4.43Å
85	G	93.3	Very high	94.4	Very high	38 Å²	38	21.8 Å²	21.8	39%	0.392	13%	0.131	S	C	.	.	I	π-helix	trans	-66.5	-36.8	-179.2	0	0	0	0	0	114.3	L81 L82 F83 S89	L81-G85 PolarHBondContact O-N 3.43Å; L82-G85 PolarHBondContact O-N 3.45Å; F83-G85 VanDerWaalsContact C-N 3.33Å; F83-G85 PolarHBondContact O-N 2.72Å; G85-S89 VanDerWaalsContact O-CB 3.32Å; G85-S89 WeakPolarHBondContact O-CB 3.41Å; G85-S89 PolarHBondContact O-OG 3.02Å; G85-S89 VanDerWaalsContact O-OG 3.13Å
86	R	94.6	Very high	94.5	Very high	79 Å²	79	21.8 Å²	21.8	30%	0.298	13%	0.131	S	C	.	.	I	π-helix	trans	-99.1	-63.2	-179.3	-175.4	-95.7	143.4	78.9	1.9	112.6	L29 S30 I33 L82 F83 A90	L29-R86 VanDerWaalsContact CD1-NH2 3.32Å; L29-R86 PolarHBondContact O-NH1 2.89Å; S30-R86 WeakPolarHBondContact OG-CD 3.5Å; I33-R86 HydrophobicContact CD1-CB 4.38Å; I33-R86 HydrophobicContact CD1-CG 4.23Å; L82-R86 PolarHBondContact O-N 2.9Å; L82-R86 VanDerWaalsContact O-N 3.08Å; F83-R86 PolarHBondContact O-N 2.93Å; R86-A90 WeakPolarHBondContact O-CB 3.48Å; R86-A90 PolarHBondContact O-N 3.37Å; R86-A90 VanDerWaalsContact O-N 3.08Å
87	A	94.6	Very high	94.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.156	C	C	.	.	I	π-helix	trans	-74.2	-44.2	-175.1	0	0	0	0	0	112	V26 F83 A90 L91	V26-A87 HydrophobicContact CG1-CB 3.89Å; F83-A87 HydrophobicContact CD1-CB 4.04Å; F83-A87 HydrophobicContact CD2-CB 3.84Å; F83-A87 HydrophobicContact CE1-CB 3.91Å; F83-A87 HydrophobicContact CE2-CB 3.71Å; F83-A87 HydrophobicContact CG-CB 4.02Å; F83-A87 HydrophobicContact CZ-CB 3.76Å; F83-A87 CarbonylContact O-C 3.53Å; F83-A87 WeakPolarHBondContact O-CA 3.24Å; F83-A87 WeakPolarHBondContact O-CB 3.25Å; F83-A87 PolarHBondContact O-N 2.93Å; A87-A90 PolarHBondContact O-N 3.07Å; A87-L91 WeakPolarHBondContact O-CB 3.4Å; A87-L91 VanDerWaalsContact O-CG 3.26Å; A87-L91 WeakPolarHBondContact O-CG 3.21Å; A87-L91 PolarHBondContact O-N 2.94Å
88	G	95	Very high	94.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.152	C	C	.	.	I	π-helix	trans	-60.2	-52.6	177.1	0	0	0	0	0	111.9	F83 A84 A90 L91 T92 S192	F83-G88 PolarHBondContact O-N 3.09Å; A84-G88 CarbonylContact O-C 3.57Å; A84-G88 WeakPolarHBondContact O-CA 3.15Å; A84-G88 PolarHBondContact O-N 3.16Å; G88-A90 VanDerWaalsContact C-N 3.34Å; G88-A90 PolarHBondContact O-N 3.44Å; G88-L91 PolarHBondContact O-N 3.22Å; G88-T92 PolarHBondContact O-N 3.45Å; G88-T92 PolarHBondContact O-OG1 2.99Å; G88-T92 VanDerWaalsContact O-OG1 3.11Å; G88-S192 WeakPolarHBondContact CA-OG 3.32Å
89	S	95.4	Very high	94.6	Very high	22 Å²	22	28.7 Å²	28.7	15%	0.154	16%	0.158	C	C	.	.	H	α-helix	trans	-58.4	-41.1	175.1	-61.3	0	0	0	0	113.1	A84 G85 T92 A93 T210 V214	A84-S89 PolarHBondContact O-N 2.68Å; A84-S89 PolarHBondContact O-OG 2.72Å; G85-S89 VanDerWaalsContact O-CB 3.32Å; G85-S89 WeakPolarHBondContact O-CB 3.41Å; G85-S89 PolarHBondContact O-OG 3.02Å; G85-S89 VanDerWaalsContact O-OG 3.13Å; S89-T92 PolarHBondContact O-N 2.82Å; S89-A93 WeakPolarHBondContact O-CB 3.49Å; S89-A93 PolarHBondContact O-N 2.91Å; S89-T210 WeakPolarHBondContact O-CG2 3.37Å; S89-V214 WeakPolarHBondContact OG-CG2 3.35Å
90	A	95.3	Very high	94.5	Very high	34 Å²	34	30.4 Å²	30.4	28%	0.281	17%	0.173	S	C	.	.	H	α-helix	trans	-63.5	-44.4	176.1	0	0	0	0	0	112.2	R86 A87 G88 T92 A93 E94	R86-A90 WeakPolarHBondContact O-CB 3.48Å; R86-A90 PolarHBondContact O-N 3.37Å; R86-A90 VanDerWaalsContact O-N 3.08Å; A87-A90 PolarHBondContact O-N 3.07Å; G88-A90 VanDerWaalsContact C-N 3.34Å; G88-A90 PolarHBondContact O-N 3.44Å; A90-T92 PolarHBondContact O-N 3.05Å; A90-A93 PolarHBondContact O-N 3.16Å; A90-E94 WeakPolarHBondContact O-CB 3.35Å; A90-E94 WeakPolarHBondContact O-CG 3.1Å; A90-E94 PolarHBondContact O-N 3.33Å
91	L	95	Very high	94.5	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.01	19%	0.193	C	C	.	.	H	α-helix	trans	-61	-44.6	176.7	-73	171.3	0	0	0	111.8	V26 A87 G88 E94 I95 R122 T189	V26-L91 HydrophobicContact CG2-CD1 4.15Å; V26-L91 HydrophobicContact CG2-CD2 3.83Å; V26-L91 HydrophobicContact CG2-CG 4.1Å; A87-L91 WeakPolarHBondContact O-CB 3.4Å; A87-L91 VanDerWaalsContact O-CG 3.26Å; A87-L91 WeakPolarHBondContact O-CG 3.21Å; A87-L91 PolarHBondContact O-N 2.94Å; G88-L91 PolarHBondContact O-N 3.22Å; L91-E94 PolarHBondContact O-N 3.28Å; L91-I95 WeakPolarHBondContact O-CG1 3.3Å; L91-I95 PolarHBondContact O-N 3.43Å; L91-R122 HydrophobicContact CD2-CB 3.84Å; L91-R122 HydrophobicContact CD2-CG 3.61Å; L91-T189 HydrophobicContact CD1-CG2 4.39Å
92	T	96.3	Very high	94.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.4	-43.7	176.1	-60.7	0	0	0	0	111.9	G88 S89 A90 G96 S192 N195 A209 T210 T213	G88-T92 PolarHBondContact O-N 3.45Å; G88-T92 PolarHBondContact O-OG1 2.99Å; G88-T92 VanDerWaalsContact O-OG1 3.11Å; S89-T92 PolarHBondContact O-N 2.82Å; A90-T92 PolarHBondContact O-N 3.05Å; T92-G96 PolarHBondContact O-N 3.3Å; T92-S192 WeakPolarHBondContact OG1-CA 3.45Å; T92-S192 PolarHBondContact OG1-O 3.14Å; T92-N195 HydrophobicContact CG2-CB 4.19Å; T92-A209 HydrophobicContact CG2-CB 3.76Å; T92-T210 HydrophobicContact CG2-CG2 4.07Å; T92-T213 PolarHBondContact OG1-OG1 3.47Å
93	A	95.5	Very high	94.3	Very high	35 Å²	35	37.8 Å²	37.8	29%	0.289	21%	0.209	S	C	.	.	H	α-helix	trans	-65.1	-44.7	178.5	0	0	0	0	0	112	S89 A90 G96 L97 I206 T210	S89-A93 WeakPolarHBondContact O-CB 3.49Å; S89-A93 PolarHBondContact O-N 2.91Å; A90-A93 PolarHBondContact O-N 3.16Å; A93-G96 PolarHBondContact O-N 3.07Å; A93-L97 VanDerWaalsContact O-CB 3.29Å; A93-L97 WeakPolarHBondContact O-CB 3.48Å; A93-L97 PolarHBondContact O-N 3.4Å; A93-I206 HydrophobicContact CB-CG2 4.31Å; A93-T210 HydrophobicContact CB-CG2 3.83Å
94	E	94.8	Very high	94	Very high	61 Å²	61	38.1 Å²	38.1	29%	0.285	21%	0.21	S	C	.	.	H	α-helix	trans	-59.7	-47.7	177.1	-77.2	-175.9	-170.4	0	0	111.6	A90 L91 L97 M98 R122	A90-E94 WeakPolarHBondContact O-CB 3.35Å; A90-E94 WeakPolarHBondContact O-CG 3.1Å; A90-E94 PolarHBondContact O-N 3.33Å; L91-E94 PolarHBondContact O-N 3.28Å; E94-L97 PolarHBondContact O-N 2.84Å; E94-M98 VanDerWaalsContact O-CG 3.27Å; E94-M98 WeakPolarHBondContact O-CG 3.5Å; E94-M98 PolarHBondContact O-N 2.87Å; E94-R122 IonicContact OE2-CZ 2.77Å; E94-R122 IonicContact OE2-NE 2.82Å; E94-R122 PolarHBondContact OE2-NE 2.86Å; E94-R122 IonicContact OE2-NH2 3.26Å; E94-R122 PolarHBondContact OE2-NH2 3.02Å
95	I	94.6	Very high	93.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-71.3	-40.6	-178.9	-63.9	172.4	0	0	0	110.9	L91 L97 M98 R99 L104 V118 L193 G196	L91-I95 WeakPolarHBondContact O-CG1 3.3Å; L91-I95 PolarHBondContact O-N 3.43Å; I95-L97 VanDerWaalsContact C-N 3.25Å; I95-L97 PolarHBondContact O-N 2.92Å; I95-M98 WeakPolarHBondContact O-CB 3.29Å; I95-M98 PolarHBondContact O-N 3.2Å; I95-M98 VanDerWaalsContact O-N 3.14Å; I95-R99 PolarHBondContact O-N 3.15Å; I95-L104 HydrophobicContact CG2-CD1 4.35Å; I95-V118 HydrophobicContact CG1-CG1 4.48Å; I95-L193 HydrophobicContact CD1-CB 4.44Å; I95-L193 HydrophobicContact CD1-CD2 3.24Å; I95-L193 HydrophobicContact CD1-CG 4.4Å; I95-G196 VanDerWaalsContact CG2-C 3.45Å
96	G	94.9	Very high	93.7	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60	-37.4	174.9	0	0	0	0	0	112.1	T92 A93 R99 A100 G196	T92-G96 PolarHBondContact O-N 3.3Å; A93-G96 PolarHBondContact O-N 3.07Å; G96-R99 PolarHBondContact O-N 3.26Å; G96-A100 WeakPolarHBondContact O-CB 3.46Å; G96-A100 PolarHBondContact O-N 2.57Å; G96-G196 WeakPolarHBondContact CA-O 3.27Å; G96-G196 PolarHBondContact N-O 2.84Å
97	L	95.1	Very high	93.5	Very high	102 Å²	102	38.3 Å²	38.3	53%	0.534	22%	0.216	S	C	.	.	H	α-helix	trans	-68	-42.6	173.1	-176.9	66.9	0	0	0	112	A93 E94 I95 R99 A100 T101	A93-L97 VanDerWaalsContact O-CB 3.29Å; A93-L97 WeakPolarHBondContact O-CB 3.48Å; A93-L97 PolarHBondContact O-N 3.4Å; E94-L97 PolarHBondContact O-N 2.84Å; I95-L97 VanDerWaalsContact C-N 3.25Å; I95-L97 PolarHBondContact O-N 2.92Å; L97-R99 PolarHBondContact O-N 3.31Å; L97-A100 PolarHBondContact O-N 3.25Å; L97-T101 HydrophobicContact CD1-CG2 4.2Å; L97-T101 WeakPolarHBondContact O-CB 3.37Å; L97-T101 WeakPolarHBondContact O-CG2 3.42Å; L97-T101 PolarHBondContact O-N 3.22Å; L97-T101 PolarHBondContact O-OG1 2.92Å
98	M	94.6	Very high	93.2	Very high	39 Å²	39	43.2 Å²	43.2	19%	0.192	24%	0.239	C	C	.	.	H	α-helix	trans	-61.3	-34.2	174.6	-70.1	179.3	-179.3	0	0	112.1	E94 I95 T101 E102 Q103 L104 V118 R122	E94-M98 VanDerWaalsContact O-CG 3.27Å; E94-M98 WeakPolarHBondContact O-CG 3.5Å; E94-M98 PolarHBondContact O-N 2.87Å; I95-M98 WeakPolarHBondContact O-CB 3.29Å; I95-M98 PolarHBondContact O-N 3.2Å; I95-M98 VanDerWaalsContact O-N 3.14Å; M98-T101 PolarHBondContact O-OG1 3.37Å; M98-E102 PolarHBondContact O-N 3.36Å; M98-Q103 HydrophobicContact CB-CB 4.22Å; M98-Q103 WeakPolarHBondContact O-CB 3.47Å; M98-Q103 PolarHBondContact O-N 2.95Å; M98-L104 HydrophobicContact CB-CD2 4.17Å; M98-L104 HydrophobicContact CB-CG 4.09Å; M98-L104 PolarHBondContact O-N 3.48Å; M98-V118 HydrophobicContact SD-CG1 3.69Å; M98-V118 HydrophobicContact SD-CG2 4.41Å; M98-R122 VanDerWaalsContact CE-NH2 3.34Å
99	R	91.8	Very high	92.9	Very high	77 Å²	77	51.3 Å²	51.3	29%	0.291	28%	0.278	S	S	.	.	H	α-helix	trans	-70.5	-47.7	172.5	-174.1	169	177.2	-170	-3.3	111.6	I95 G96 L97 T101 E102 L104 Y197 D198 A199	I95-R99 PolarHBondContact O-N 3.15Å; G96-R99 PolarHBondContact O-N 3.26Å; L97-R99 PolarHBondContact O-N 3.31Å; R99-T101 PolarHBondContact O-N 2.86Å; R99-E102 PolarHBondContact O-N 2.71Å; R99-L104 HydrophobicContact CB-CD1 3.88Å; R99-L104 HydrophobicContact CG-CD1 4.5Å; R99-Y197 WeakPolarHBondContact CD-O 3.47Å; R99-Y197 PolarHBondContact NH1-O 3.49Å; R99-D198 PolarHBondContact NH1-O 2.93Å; R99-D198 IonicContact NH1-OD1 2.76Å; R99-A199 WeakPolarHBondContact CD-O 3.48Å; R99-A199 PolarHBondContact NE-O 3.33Å; R99-A199 PolarHBondContact NH1-O 2.82Å; R99-A199 VanDerWaalsContact NH1-O 3.14Å
100	A	91.8	Very high	92.7	Very high	36 Å²	36	56 Å²	56	30%	0.298	30%	0.3	S	S	.	.	H	α-helix	trans	-64.2	-24.9	179.8	0	0	0	0	0	113.8	G96 L97 P201 I206	G96-A100 WeakPolarHBondContact O-CB 3.46Å; G96-A100 PolarHBondContact O-N 2.57Å; L97-A100 PolarHBondContact O-N 3.25Å; A100-P201 HydrophobicContact CB-CB 4.16Å; A100-I206 HydrophobicContact CB-CD1 4.12Å
101	T	93.4	Very high	92.4	Very high	69 Å²	69	59 Å²	59	42%	0.423	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	10.9	176.2	53.8	0	0	0	0	113.2	L97 M98 R99 Q103	L97-T101 HydrophobicContact CD1-CG2 4.2Å; L97-T101 WeakPolarHBondContact O-CB 3.37Å; L97-T101 WeakPolarHBondContact O-CG2 3.42Å; L97-T101 PolarHBondContact O-N 3.22Å; L97-T101 PolarHBondContact O-OG1 2.92Å; M98-T101 PolarHBondContact O-OG1 3.37Å; R99-T101 PolarHBondContact O-N 2.86Å; T101-Q103 PolarHBondContact O-N 2.76Å; T101-Q103 WeakPolarHBondContact OG1-CG 3.24Å; T101-Q103 PolarHBondContact OG1-NE2 2.79Å
102	E	92	Very high	91.9	Very high	104 Å²	104	60.9 Å²	60.9	49%	0.486	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	21	-179.6	-62.1	-65.1	160.5	0	0	114.2	M98 R99 L104 S105 S106	M98-E102 PolarHBondContact O-N 3.36Å; R99-E102 PolarHBondContact O-N 2.71Å; E102-L104 VanDerWaalsContact C-N 3.29Å; E102-L104 PolarHBondContact O-N 2.88Å; E102-S105 VanDerWaalsContact OE2-CB 3.24Å; E102-S105 WeakPolarHBondContact OE2-CB 3.38Å; E102-S105 PolarHBondContact OE2-OG 2.79Å; E102-S106 WeakPolarHBondContact O-CB 3.25Å; E102-S106 PolarHBondContact O-N 3.49Å; E102-S106 PolarHBondContact O-OG 3.12Å
103	Q	91.5	Very high	91.4	Very high	94 Å²	94	64 Å²	64	44%	0.439	35%	0.353	S	S	.	.	H	α-helix	trans	-67.1	-32.9	176.9	-69.3	179.3	7.8	0	0	111.5	M98 T101 S106 M107	M98-Q103 HydrophobicContact CB-CB 4.22Å; M98-Q103 WeakPolarHBondContact O-CB 3.47Å; M98-Q103 PolarHBondContact O-N 2.95Å; T101-Q103 PolarHBondContact O-N 2.76Å; T101-Q103 WeakPolarHBondContact OG1-CG 3.24Å; T101-Q103 PolarHBondContact OG1-NE2 2.79Å; Q103-S106 VanDerWaalsContact CA-OG 3.25Å; Q103-S106 WeakPolarHBondContact CA-OG 3.47Å; Q103-S106 PolarHBondContact O-OG 2.89Å; Q103-M107 VanDerWaalsContact O-CE 3.27Å; Q103-M107 WeakPolarHBondContact O-CE 3.39Å; Q103-M107 WeakPolarHBondContact O-CG 3.23Å; Q103-M107 PolarHBondContact O-N 3.35Å
104	L	89.2	Confident	91	Very high	7 Å²	7	62.5 Å²	62.5	4%	0.037	34%	0.34	C	S	.	.	H	α-helix	trans	-67.2	-51.2	176.2	-60.8	178.5	0	0	0	111.1	I95 M98 R99 E102 S106 M107 E108 P114 V118 Y197	I95-L104 HydrophobicContact CG2-CD1 4.35Å; M98-L104 HydrophobicContact CB-CD2 4.17Å; M98-L104 HydrophobicContact CB-CG 4.09Å; M98-L104 PolarHBondContact O-N 3.48Å; R99-L104 HydrophobicContact CB-CD1 3.88Å; R99-L104 HydrophobicContact CG-CD1 4.5Å; E102-L104 VanDerWaalsContact C-N 3.29Å; E102-L104 PolarHBondContact O-N 2.88Å; L104-S106 PolarHBondContact O-N 3.35Å; L104-M107 HydrophobicContact CD2-CE 3.72Å; L104-M107 WeakPolarHBondContact O-CB 3.35Å; L104-M107 PolarHBondContact O-N 3.4Å; L104-E108 PolarHBondContact O-N 2.89Å; L104-P114 HydrophobicContact CD2-CB 4.11Å; L104-V118 HydrophobicContact CD2-CG1 4.43Å; L104-Y197 HydrophobicContact CD1-CD2 3.94Å; L104-Y197 HydrophobicContact CD1-CE2 3.96Å
105	S	89.9	Confident	90.6	Very high	47 Å²	47	61 Å²	61	33%	0.329	33%	0.334	S	S	.	.	H	α-helix	trans	-62.8	-40	178.9	-42.6	0	0	0	0	112.1	E102 M107 E108 M109	E102-S105 VanDerWaalsContact OE2-CB 3.24Å; E102-S105 WeakPolarHBondContact OE2-CB 3.38Å; E102-S105 PolarHBondContact OE2-OG 2.79Å; S105-M107 VanDerWaalsContact C-N 3.33Å; S105-M107 PolarHBondContact O-N 3.27Å; S105-E108 WeakPolarHBondContact O-CB 3.18Å; S105-E108 PolarHBondContact O-N 3.42Å; S105-M109 WeakPolarHBondContact O-CG 3.47Å; S105-M109 PolarHBondContact O-N 3.04Å
106	S	92.7	Very high	90.1	Very high	54 Å²	54	64.7 Å²	64.7	38%	0.378	35%	0.347	S	S	.	.	H	α-helix	trans	-65.5	-32.8	176.2	54.8	0	0	0	0	113	E102 Q103 L104 M109 M110	E102-S106 WeakPolarHBondContact O-CB 3.25Å; E102-S106 PolarHBondContact O-N 3.49Å; E102-S106 PolarHBondContact O-OG 3.12Å; Q103-S106 VanDerWaalsContact CA-OG 3.25Å; Q103-S106 WeakPolarHBondContact CA-OG 3.47Å; Q103-S106 PolarHBondContact O-OG 2.89Å; L104-S106 PolarHBondContact O-N 3.35Å; S106-M109 PolarHBondContact O-N 2.83Å; S106-M110 WeakPolarHBondContact O-CE 3.47Å; S106-M110 WeakPolarHBondContact O-CG 3.13Å; S106-M110 PolarHBondContact O-N 3.14Å; S106-M110 VanDerWaalsContact O-N 3.15Å
107	M	89.8	Confident	89.6	Confident	21 Å²	21	70.7 Å²	70.7	10%	0.103	37%	0.37	C	S	.	.	H	α-helix	trans	-64.8	-41.7	171.1	-76.9	-175.8	-72	0	0	112.2	Q103 L104 S105 M109 M110 A111 V112 P114 V118	Q103-M107 VanDerWaalsContact O-CE 3.27Å; Q103-M107 WeakPolarHBondContact O-CE 3.39Å; Q103-M107 WeakPolarHBondContact O-CG 3.23Å; Q103-M107 PolarHBondContact O-N 3.35Å; L104-M107 HydrophobicContact CD2-CE 3.72Å; L104-M107 WeakPolarHBondContact O-CB 3.35Å; L104-M107 PolarHBondContact O-N 3.4Å; S105-M107 VanDerWaalsContact C-N 3.33Å; S105-M107 PolarHBondContact O-N 3.27Å; M107-M109 VanDerWaalsContact C-N 3.31Å; M107-M109 PolarHBondContact O-N 3.12Å; M107-M110 HydrophobicContact CG-CE 4.26Å; M107-M110 CarbonylContact O-C 3.49Å; M107-M110 WeakPolarHBondContact O-CA 3.45Å; M107-M110 PolarHBondContact O-N 3.41Å; M107-A111 PolarHBondContact O-N 2.96Å; M107-V112 CarbonylContact C-O 3.25Å; M107-V112 VanDerWaalsContact C-O 3.25Å; M107-V112 HydrophobicContact CB-CB 4.28Å; M107-V112 HydrophobicContact CB-CG1 4.49Å; M107-V112 PolarHBondContact O-N 3.25Å; M107-P114 HydrophobicContact CB-CB 4.47Å; M107-P114 HydrophobicContact CE-CB 3.85Å; M107-V118 HydrophobicContact CE-CG2 3.62Å; M107-V118 HydrophobicContact SD-CG2 3.99Å
108	E	88.9	Confident	89.3	Confident	103 Å²	103	66.4 Å²	66.4	48%	0.481	35%	0.348	S	S	.	.	H	α-helix	trans	-61.1	-41	176.4	-66	178.1	175.4	0	0	111.4	L104 S105 M110 A111 P114	L104-E108 PolarHBondContact O-N 2.89Å; S105-E108 WeakPolarHBondContact O-CB 3.18Å; S105-E108 PolarHBondContact O-N 3.42Å; E108-M110 VanDerWaalsContact C-N 3.26Å; E108-M110 PolarHBondContact O-N 2.93Å; E108-A111 PolarHBondContact O-N 3.46Å; E108-A111 VanDerWaalsContact O-N 3.07Å; E108-P114 HydrophobicContact CG-CG 3.71Å
109	M	89.4	Confident	89	Confident	170 Å²	170	64.8 Å²	64.8	84%	0.837	34%	0.34	S	S	*	.	H	α-helix	trans	-64.3	-27.6	173.9	-66.5	-61.1	-69.7	0	0	113.4	S105 S106 M107 A111	S105-M109 WeakPolarHBondContact O-CG 3.47Å; S105-M109 PolarHBondContact O-N 3.04Å; S106-M109 PolarHBondContact O-N 2.83Å; M107-M109 VanDerWaalsContact C-N 3.31Å; M107-M109 PolarHBondContact O-N 3.12Å; M109-A111 VanDerWaalsContact C-N 3.25Å; M109-A111 PolarHBondContact O-N 2.96Å
110	M	91	Very high	88.9	Confident	121 Å²	121	62.1 Å²	62.1	60%	0.596	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	10.6	174.6	-68.9	-174.9	-73	0	0	113.4	S106 M107 E108 V112	S106-M110 WeakPolarHBondContact O-CE 3.47Å; S106-M110 WeakPolarHBondContact O-CG 3.13Å; S106-M110 PolarHBondContact O-N 3.14Å; S106-M110 VanDerWaalsContact O-N 3.15Å; M107-M110 HydrophobicContact CG-CE 4.26Å; M107-M110 CarbonylContact O-C 3.49Å; M107-M110 WeakPolarHBondContact O-CA 3.45Å; M107-M110 PolarHBondContact O-N 3.41Å; E108-M110 VanDerWaalsContact C-N 3.26Å; E108-M110 PolarHBondContact O-N 2.93Å; M110-V112 HydrophobicContact CB-CG2 4.21Å; M110-V112 PolarHBondContact O-N 2.95Å
111	A	87.2	Confident	88.8	Confident	98 Å²	98	60.7 Å²	60.7	81%	0.81	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	27.8	-173.1	0	0	0	0	0	113.6	M107 E108 M109	M107-A111 PolarHBondContact O-N 2.96Å; E108-A111 PolarHBondContact O-N 3.46Å; E108-A111 VanDerWaalsContact O-N 3.07Å; M109-A111 VanDerWaalsContact C-N 3.25Å; M109-A111 PolarHBondContact O-N 2.96Å
112	V	86	Confident	88.7	Confident	41 Å²	41	58.3 Å²	58.3	25%	0.248	30%	0.304	C	S	.	.			trans	-104	114.6	174.5	177.6	0	0	0	0	108.4	M107 M110 P114 R117	M107-V112 CarbonylContact C-O 3.25Å; M107-V112 VanDerWaalsContact C-O 3.25Å; M107-V112 HydrophobicContact CB-CB 4.28Å; M107-V112 HydrophobicContact CB-CG1 4.49Å; M107-V112 PolarHBondContact O-N 3.25Å; M110-V112 HydrophobicContact CB-CG2 4.21Å; M110-V112 PolarHBondContact O-N 2.95Å; V112-P114 WeakPolarHBondContact O-CD 3.16Å; V112-P114 VanDerWaalsContact O-N 3.13Å; V112-R117 HydrophobicContact CG1-CB 4.21Å; V112-R117 VanDerWaalsContact CG1-CD 3.42Å; V112-R117 HydrophobicContact CG1-CG 4.45Å
113	D	86.1	Confident	88.7	Confident	65 Å²	65	54 Å²	54	35%	0.348	28%	0.284	S	S	.	.			trans	-62.5	111.9	176.6	178.3	-2	0	0	0	111.2	L115 R116 R117	D113-L115 VanDerWaalsContact C-N 3.3Å; D113-L115 PolarHBondContact O-N 3.5Å; D113-L115 WeakPolarHBondContact OD1-CA 3.25Å; D113-L115 VanDerWaalsContact OD1-CB 3.28Å; D113-L115 WeakPolarHBondContact OD1-CB 3.34Å; D113-L115 PolarHBondContact OD1-N 3.29Å; D113-R116 HydrophobicContact CB-CB 4.16Å; D113-R116 PolarHBondContact O-N 3.37Å; D113-R116 PolarHBondContact OD1-N 3.47Å; D113-R117 WeakPolarHBondContact O-CB 3.35Å; D113-R117 PolarHBondContact O-N 3.43Å
114	P	86.7	Confident	88.7	Confident	3 Å²	3	55 Å²	55	2%	0.019	28%	0.284	C	S	.	.	H	α-helix	trans	-66.5	-32	179.9	28.4	-35.4	0	0	0	111.9	L104 M107 E108 V112 R116 R117 V118 I119	L104-P114 HydrophobicContact CD2-CB 4.11Å; M107-P114 HydrophobicContact CB-CB 4.47Å; M107-P114 HydrophobicContact CE-CB 3.85Å; E108-P114 HydrophobicContact CG-CG 3.71Å; V112-P114 WeakPolarHBondContact O-CD 3.16Å; V112-P114 VanDerWaalsContact O-N 3.13Å; P114-R116 VanDerWaalsContact C-N 3.34Å; P114-R116 PolarHBondContact O-N 2.82Å; P114-R117 PolarHBondContact O-N 3.43Å; P114-V118 VanDerWaalsContact O-CB 3.31Å; P114-V118 WeakPolarHBondContact O-CB 3.49Å; P114-V118 PolarHBondContact O-N 2.9Å; P114-I119 PolarHBondContact O-N 2.83Å
115	L	86.2	Confident	88.8	Confident	30 Å²	30	54.7 Å²	54.7	16%	0.157	28%	0.282	C	S	.	.	I	π-helix	trans	-64.5	-43.2	179.8	-54	176.6	0	0	0	110.1	A5 D113 I119 S120 Y197	A5-L115 HydrophobicContact CB-CB 3.49Å; A5-L115 VanDerWaalsContact CB-CB 3.49Å; A5-L115 HydrophobicContact CB-CD1 4.17Å; A5-L115 HydrophobicContact CB-CG 4.45Å; D113-L115 VanDerWaalsContact C-N 3.3Å; D113-L115 PolarHBondContact O-N 3.5Å; D113-L115 WeakPolarHBondContact OD1-CA 3.25Å; D113-L115 VanDerWaalsContact OD1-CB 3.28Å; D113-L115 WeakPolarHBondContact OD1-CB 3.34Å; D113-L115 PolarHBondContact OD1-N 3.29Å; L115-I119 HydrophobicContact CD2-CD1 3.43Å; L115-I119 VanDerWaalsContact CD2-CD1 3.43Å; L115-I119 HydrophobicContact CD2-CG1 4.39Å; L115-I119 WeakPolarHBondContact O-CB 3.37Å; L115-I119 PolarHBondContact O-N 3.16Å; L115-S120 PolarHBondContact O-N 3.46Å; L115-Y197 HydrophobicContact CD2-CE2 4.02Å
116	R	83.1	Confident	88.9	Confident	77 Å²	77	52.4 Å²	52.4	29%	0.291	27%	0.267	S	S	.	.	I	π-helix	trans	-73.8	-37.6	178.1	-165.1	-179.7	-63.2	-169.3	2.4	112.7	H15 D113 P114 P121	H15-R116 PolarHBondContact CE1-O 3.19Å; H15-R116 VanDerWaalsContact CE1-O 3.24Å; D113-R116 HydrophobicContact CB-CB 4.16Å; D113-R116 PolarHBondContact O-N 3.37Å; D113-R116 PolarHBondContact OD1-N 3.47Å; P114-R116 VanDerWaalsContact C-N 3.34Å; P114-R116 PolarHBondContact O-N 2.82Å; R116-P121 WeakPolarHBondContact O-CD 3.32Å
117	R	85.4	Confident	88.9	Confident	127 Å²	127	50.6 Å²	50.6	48%	0.479	25%	0.253	S	S	.	.	I	π-helix	trans	-81.4	-37.3	-175.6	-171.2	169.2	-177.3	174.6	-0.9	114	V112 D113 P114	V112-R117 HydrophobicContact CG1-CB 4.21Å; V112-R117 VanDerWaalsContact CG1-CD 3.42Å; V112-R117 HydrophobicContact CG1-CG 4.45Å; D113-R117 WeakPolarHBondContact O-CB 3.35Å; D113-R117 PolarHBondContact O-N 3.43Å; P114-R117 PolarHBondContact O-N 3.43Å
118	V	88.2	Confident	89.1	Confident	11 Å²	11	53.6 Å²	53.6	7%	0.067	27%	0.269	C	S	.	.	I	π-helix	trans	-107.7	-47.3	-172.2	172.2	0	0	0	0	111.8	I95 M98 L104 M107 P114 R122	I95-V118 HydrophobicContact CG1-CG1 4.48Å; M98-V118 HydrophobicContact SD-CG1 3.69Å; M98-V118 HydrophobicContact SD-CG2 4.41Å; L104-V118 HydrophobicContact CD2-CG1 4.43Å; M107-V118 HydrophobicContact CE-CG2 3.62Å; M107-V118 HydrophobicContact SD-CG2 3.99Å; P114-V118 VanDerWaalsContact O-CB 3.31Å; P114-V118 WeakPolarHBondContact O-CB 3.49Å; P114-V118 PolarHBondContact O-N 2.9Å; V118-R122 WeakPolarHBondContact O-CD 3.25Å; V118-R122 WeakPolarHBondContact O-CG 3.42Å; V118-R122 PolarHBondContact O-NH1 3.47Å
119	I	89.6	Confident	89.4	Confident	5 Å²	5	48.9 Å²	48.9	3%	0.026	25%	0.247	C	C	.	.	I	π-helix	trans	-81.6	-47.3	-169.9	-56.3	-168.6	0	0	0	111.5	L2 P114 L115 R122 F123 L193 Y197	L2-I119 HydrophobicContact CD2-CG2 3.58Å; P114-I119 PolarHBondContact O-N 2.83Å; L115-I119 HydrophobicContact CD2-CD1 3.43Å; L115-I119 VanDerWaalsContact CD2-CD1 3.43Å; L115-I119 HydrophobicContact CD2-CG1 4.39Å; L115-I119 WeakPolarHBondContact O-CB 3.37Å; L115-I119 PolarHBondContact O-N 3.16Å; I119-R122 PolarHBondContact O-N 3.36Å; I119-F123 PolarHBondContact O-N 3.39Å; I119-L193 HydrophobicContact CG2-CB 4.18Å; I119-L193 HydrophobicContact CG2-CD1 3.75Å; I119-L193 HydrophobicContact CG2-CD2 4.19Å; I119-L193 HydrophobicContact CG2-CG 4.25Å; I119-Y197 HydrophobicContact CD1-CD2 3.61Å; I119-Y197 HydrophobicContact CD1-CE2 4.07Å; I119-Y197 HydrophobicContact CD1-CG 4.32Å
120	S	88.2	Confident	89.7	Confident	22 Å²	22	40.8 Å²	40.8	15%	0.154	21%	0.207	C	C	.	.	H	α-helix	trans	-58.1	-47.2	-177.3	177.9	0	0	0	0	114.3	L115 R122 F123 W124	L115-S120 PolarHBondContact O-N 3.46Å; S120-R122 VanDerWaalsContact C-N 3.31Å; S120-R122 PolarHBondContact O-N 2.83Å; S120-F123 WeakPolarHBondContact O-CB 3.44Å; S120-F123 PolarHBondContact O-N 3.34Å; S120-W124 PolarHBondContact O-N 3.34Å
121	P	90.1	Very high	89.9	Confident	6 Å²	6	35.6 Å²	35.6	4%	0.039	18%	0.182	C	C	.	.	H	α-helix	trans	-63.2	-35.6	177.5	-23.1	34.5	0	0	0	113.2	L18 R116 A125	L18-P121 HydrophobicContact CB-CB 4.23Å; L18-P121 HydrophobicContact CB-CG 4.37Å; R116-P121 WeakPolarHBondContact O-CD 3.32Å; P121-A125 WeakPolarHBondContact O-CB 3.49Å; P121-A125 PolarHBondContact O-N 2.9Å
122	R	91.8	Very high	90.3	Very high	18 Å²	18	36 Å²	36	7%	0.068	17%	0.171	C	C	.	.	H	α-helix	trans	-68.9	-40.3	175.5	-75.7	176.4	171.6	88.6	-5.8	111.6	Q22 L91 E94 M98 V118 I119 S120 A125 G126 L193	Q22-R122 HydrophobicContact CG-CG 3.88Å; L91-R122 HydrophobicContact CD2-CB 3.84Å; L91-R122 HydrophobicContact CD2-CG 3.61Å; E94-R122 IonicContact OE2-CZ 2.77Å; E94-R122 IonicContact OE2-NE 2.82Å; E94-R122 PolarHBondContact OE2-NE 2.86Å; E94-R122 IonicContact OE2-NH2 3.26Å; E94-R122 PolarHBondContact OE2-NH2 3.02Å; M98-R122 VanDerWaalsContact CE-NH2 3.34Å; V118-R122 WeakPolarHBondContact O-CD 3.25Å; V118-R122 WeakPolarHBondContact O-CG 3.42Å; V118-R122 PolarHBondContact O-NH1 3.47Å; I119-R122 PolarHBondContact O-N 3.36Å; S120-R122 VanDerWaalsContact C-N 3.31Å; S120-R122 PolarHBondContact O-N 2.83Å; R122-A125 PolarHBondContact O-N 3.1Å; R122-G126 PolarHBondContact O-N 2.86Å; R122-L193 HydrophobicContact CB-CD2 3.8Å
123	F	91.2	Very high	90.9	Very high	13 Å²	13	34.4 Å²	34.4	6%	0.057	16%	0.16	C	C	.	.	H	α-helix	trans	-58.1	-55.3	176.1	-177.7	-98.2	0	0	0	111.3	L6 I119 S120 A125 G126 V127 I186 T189 W190 L193	L6-F123 HydrophobicContact CD1-CD1 4.34Å; L6-F123 HydrophobicContact CD1-CE1 4.07Å; L6-F123 HydrophobicContact CD1-CZ 4.35Å; L6-F123 HydrophobicContact CD2-CB 4.48Å; L6-F123 HydrophobicContact CD2-CD1 3.35Å; L6-F123 HydrophobicContact CD2-CE1 3.73Å; L6-F123 HydrophobicContact CD2-CG 4.05Å; L6-F123 HydrophobicContact CG-CD1 4.48Å; I119-F123 PolarHBondContact O-N 3.39Å; S120-F123 WeakPolarHBondContact O-CB 3.44Å; S120-F123 PolarHBondContact O-N 3.34Å; F123-A125 PolarHBondContact O-N 2.96Å; F123-G126 PolarHBondContact O-N 2.83Å; F123-V127 HydrophobicContact CD1-CG2 4.2Å; F123-V127 HydrophobicContact CE1-CG2 3.81Å; F123-V127 HydrophobicContact CE2-CG2 4.18Å; F123-V127 HydrophobicContact CZ-CG2 3.81Å; F123-V127 WeakPolarHBondContact O-CG2 3.24Å; F123-V127 PolarHBondContact O-N 3.46Å; F123-I186 HydrophobicContact CE2-CG2 4.48Å; F123-I186 HydrophobicContact CZ-CG1 4.43Å; F123-I186 HydrophobicContact CZ-CG2 4.21Å; F123-T189 HydrophobicContact CB-CG2 4.48Å; F123-T189 HydrophobicContact CD2-CG2 4.08Å; F123-W190 HydrophobicContact CE2-CB 4.48Å; F123-W190 AromaticContact CE2-CE3 3.87Å; F123-W190 HydrophobicContact CE2-CE3 3.87Å; F123-W190 HydrophobicContact CZ-CE3 4.39Å; F123-L193 HydrophobicContact CB-CD1 3.67Å; F123-L193 HydrophobicContact CD2-CD1 3.92Å; F123-L193 HydrophobicContact CG-CD1 4.3Å
124	W	91.2	Very high	91.4	Very high	116 Å²	116	31.3 Å²	31.3	44%	0.439	14%	0.144	S	C	.	.	H	α-helix	trans	-67.2	-36.2	-179.7	-74.8	109.8	0	0	0	113.1	L19 S120 G126 V127 I128	L19-W124 HydrophobicContact CD1-CB 4.02Å; S120-W124 PolarHBondContact O-N 3.34Å; W124-G126 VanDerWaalsContact C-N 3.3Å; W124-G126 PolarHBondContact O-N 3.35Å; W124-V127 HydrophobicContact CE3-CB 4.49Å; W124-V127 HydrophobicContact CE3-CG1 4.44Å; W124-V127 HydrophobicContact CZ3-CG1 4.43Å; W124-V127 PolarHBondContact O-N 3.31Å; W124-I128 WeakPolarHBondContact O-CB 3.25Å; W124-I128 WeakPolarHBondContact O-CD1 3.3Å; W124-I128 VanDerWaalsContact O-CG1 3.24Å; W124-I128 WeakPolarHBondContact O-CG1 3.23Å; W124-I128 PolarHBondContact O-N 3.42Å
125	A	92	Very high	91.9	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-60.2	-40.6	172.8	0	0	0	0	0	111.9	Q22 L23 P121 R122 F123 S129	Q22-A125 HydrophobicContact CB-CB 3.48Å; Q22-A125 VanDerWaalsContact CB-CB 3.48Å; L23-A125 HydrophobicContact CG-CB 4.34Å; P121-A125 WeakPolarHBondContact O-CB 3.49Å; P121-A125 PolarHBondContact O-N 2.9Å; R122-A125 PolarHBondContact O-N 3.1Å; F123-A125 PolarHBondContact O-N 2.96Å; A125-S129 WeakPolarHBondContact O-CB 3.33Å; A125-S129 PolarHBondContact O-N 2.92Å; A125-S129 PolarHBondContact O-OG 3.17Å
126	G	93	Very high	92.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-66.8	-45.9	175.3	0	0	0	0	0	113.3	R122 F123 W124 I128 S129 L130	R122-G126 PolarHBondContact O-N 2.86Å; F123-G126 PolarHBondContact O-N 2.83Å; W124-G126 VanDerWaalsContact C-N 3.3Å; W124-G126 PolarHBondContact O-N 3.35Å; G126-I128 VanDerWaalsContact C-N 3.29Å; G126-I128 PolarHBondContact O-N 3.28Å; G126-S129 PolarHBondContact O-N 2.71Å; G126-S129 PolarHBondContact O-OG 3.01Å; G126-L130 PolarHBondContact O-N 3.1Å
127	V	91.7	Very high	93.1	Very high	16 Å²	16	31.9 Å²	31.9	10%	0.097	16%	0.155	C	C	.	.	H	α-helix	trans	-62	-34.4	178.8	174.1	0	0	0	0	112.6	F123 W124 P131 I186	F123-V127 HydrophobicContact CD1-CG2 4.2Å; F123-V127 HydrophobicContact CE1-CG2 3.81Å; F123-V127 HydrophobicContact CE2-CG2 4.18Å; F123-V127 HydrophobicContact CZ-CG2 3.81Å; F123-V127 WeakPolarHBondContact O-CG2 3.24Å; F123-V127 PolarHBondContact O-N 3.46Å; W124-V127 HydrophobicContact CE3-CB 4.49Å; W124-V127 HydrophobicContact CE3-CG1 4.44Å; W124-V127 HydrophobicContact CZ3-CG1 4.43Å; W124-V127 PolarHBondContact O-N 3.31Å; V127-P131 WeakPolarHBondContact O-CD 3.38Å; V127-P131 VanDerWaalsContact O-CG 3.27Å; V127-P131 WeakPolarHBondContact O-CG 3.25Å; V127-I186 HydrophobicContact CG1-CG1 4.26Å; V127-I186 HydrophobicContact CG2-CG1 3.8Å
128	I	93.7	Very high	93.7	Very high	84 Å²	84	26.3 Å²	26.3	43%	0.431	14%	0.135	S	C	.	.	H	α-helix	trans	-82.6	-41.2	178.7	-65.3	165.9	0	0	0	111.8	L23 W124 G126	L23-I128 HydrophobicContact CD2-CB 4.2Å; L23-I128 HydrophobicContact CD2-CG2 3.91Å; W124-I128 WeakPolarHBondContact O-CB 3.25Å; W124-I128 WeakPolarHBondContact O-CD1 3.3Å; W124-I128 VanDerWaalsContact O-CG1 3.24Å; W124-I128 WeakPolarHBondContact O-CG1 3.23Å; W124-I128 PolarHBondContact O-N 3.42Å; G126-I128 VanDerWaalsContact C-N 3.29Å; G126-I128 PolarHBondContact O-N 3.28Å
129	S	95.3	Very high	94.1	Very high	4 Å²	4	28.5 Å²	28.5	3%	0.028	16%	0.155	C	C	.	.	H	α-helix	trans	-71.8	-42	-172.3	53.7	0	0	0	0	113.2	V26 F83 A125 G126 L132 L133	V26-S129 WeakPolarHBondContact CG1-OG 3.39Å; F83-S129 WeakPolarHBondContact CE2-OG 3.2Å; A125-S129 WeakPolarHBondContact O-CB 3.33Å; A125-S129 PolarHBondContact O-N 2.92Å; A125-S129 PolarHBondContact O-OG 3.17Å; G126-S129 PolarHBondContact O-N 2.71Å; G126-S129 PolarHBondContact O-OG 3.01Å; S129-L132 PolarHBondContact O-N 3.44Å; S129-L133 WeakPolarHBondContact O-CB 3.44Å; S129-L133 WeakPolarHBondContact O-CG 3.39Å; S129-L133 PolarHBondContact O-N 2.83Å
130	L	95.1	Very high	94.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-62.8	-47	-175.6	176.9	63.5	0	0	0	113.2	A79 A80 F83 G126 L132 L133 T134 F184 A185 V188	A79-L130 HydrophobicContact CB-CD1 4.1Å; A80-L130 HydrophobicContact CB-CD2 3.98Å; F83-L130 HydrophobicContact CB-CD1 3.73Å; F83-L130 HydrophobicContact CD2-CB 4.23Å; F83-L130 HydrophobicContact CD2-CD1 4.11Å; F83-L130 HydrophobicContact CE2-CB 4.24Å; F83-L130 HydrophobicContact CG-CB 4.42Å; F83-L130 HydrophobicContact CG-CD1 3.93Å; F83-L130 HydrophobicContact CZ-CB 4.46Å; G126-L130 PolarHBondContact O-N 3.1Å; L130-L132 VanDerWaalsContact C-N 3.3Å; L130-L132 PolarHBondContact O-N 3.39Å; L130-L133 CarbonylContact O-C 3.57Å; L130-L133 WeakPolarHBondContact O-CB 3.31Å; L130-L133 PolarHBondContact O-N 2.81Å; L130-L133 VanDerWaalsContact O-N 3.15Å; L130-T134 PolarHBondContact O-N 2.86Å; L130-T134 PolarHBondContact O-OG1 2.85Å; L130-T134 VanDerWaalsContact O-OG1 3.09Å; L130-F184 HydrophobicContact CD2-CB 4.09Å; L130-A185 HydrophobicContact CB-CB 3.73Å; L130-A185 HydrophobicContact CD2-CB 3.79Å; L130-A185 HydrophobicContact CG-CB 4.2Å; L130-V188 HydrophobicContact CD2-CG1 4.29Å
131	P	96.1	Very high	94.9	Very high	11 Å²	11	28.8 Å²	28.8	7%	0.071	16%	0.155	C	C	.	.	H	α-helix	trans	-57.9	-41.1	176	-26.2	35.6	0	0	0	113.4	V127 T134 V135 L178 S181 V182 A185	V127-P131 WeakPolarHBondContact O-CD 3.38Å; V127-P131 VanDerWaalsContact O-CG 3.27Å; V127-P131 WeakPolarHBondContact O-CG 3.25Å; P131-T134 PolarHBondContact O-N 3.42Å; P131-V135 WeakPolarHBondContact O-CG2 3.25Å; P131-V135 PolarHBondContact O-N 3.38Å; P131-L178 HydrophobicContact CB-CD1 3.78Å; P131-S181 VanDerWaalsContact CA-OG 3.3Å; P131-S181 WeakPolarHBondContact CA-OG 3.33Å; P131-S181 WeakPolarHBondContact CB-OG 3.45Å; P131-V182 HydrophobicContact CB-CG2 4.15Å; P131-V182 HydrophobicContact CG-CB 4.35Å; P131-V182 HydrophobicContact CG-CG2 3.57Å; P131-A185 HydrophobicContact CG-CB 4.43Å
132	L	96.4	Very high	95.2	Very high	108 Å²	108	29.4 Å²	29.4	57%	0.565	16%	0.158	S	C	*	.	H	α-helix	trans	-64	-43.4	176.7	-174.9	66.4	0	0	0	111.3	S129 L130 T134 V135 I136	S129-L132 PolarHBondContact O-N 3.44Å; L130-L132 VanDerWaalsContact C-N 3.3Å; L130-L132 PolarHBondContact O-N 3.39Å; L132-T134 VanDerWaalsContact C-N 3.34Å; L132-V135 PolarHBondContact O-N 3.02Å; L132-I136 HydrophobicContact CG-CD1 4.39Å; L132-I136 WeakPolarHBondContact O-CG1 3.49Å; L132-I136 PolarHBondContact O-N 3.35Å
133	L	96.9	Very high	95.4	Very high	6 Å²	6	35.2 Å²	35.2	3%	0.031	18%	0.18	C	C	.	.	H	α-helix	trans	-65.2	-36.5	176.1	-71.4	169.6	0	0	0	112.2	M31 I34 F83 S129 L130 I136 F137	M31-L133 HydrophobicContact CB-CD2 3.97Å; M31-L133 HydrophobicContact CG-CD2 4.33Å; I34-L133 HydrophobicContact CD1-CB 3.64Å; I34-L133 HydrophobicContact CD1-CD1 3.69Å; I34-L133 HydrophobicContact CD1-CD2 4.02Å; I34-L133 HydrophobicContact CD1-CG 3.98Å; I34-L133 HydrophobicContact CG2-CB 4.49Å; I34-L133 WeakPolarHBondContact CG2-O 3.3Å; F83-L133 HydrophobicContact CD2-CD1 3.88Å; F83-L133 HydrophobicContact CE2-CD1 4.16Å; S129-L133 WeakPolarHBondContact O-CB 3.44Å; S129-L133 WeakPolarHBondContact O-CG 3.39Å; S129-L133 PolarHBondContact O-N 2.83Å; L130-L133 CarbonylContact O-C 3.57Å; L130-L133 WeakPolarHBondContact O-CB 3.31Å; L130-L133 PolarHBondContact O-N 2.81Å; L130-L133 VanDerWaalsContact O-N 3.15Å; L133-I136 PolarHBondContact O-N 3.05Å; L133-F137 WeakPolarHBondContact O-CB 3.24Å; L133-F137 PolarHBondContact O-N 2.83Å
134	T	96.9	Very high	95.6	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.006	18%	0.177	C	C	.	.	H	α-helix	trans	-63	-42.7	173.4	-60.9	0	0	0	0	111.4	P76 A79 L130 P131 L132 I136 F137 V138 S181	P76-T134 HydrophobicContact CB-CG2 4.48Å; P76-T134 HydrophobicContact CG-CG2 4.21Å; A79-T134 WeakPolarHBondContact CB-OG1 3.46Å; L130-T134 PolarHBondContact O-N 2.86Å; L130-T134 PolarHBondContact O-OG1 2.85Å; L130-T134 VanDerWaalsContact O-OG1 3.09Å; P131-T134 PolarHBondContact O-N 3.42Å; L132-T134 VanDerWaalsContact C-N 3.34Å; T134-I136 VanDerWaalsContact C-N 3.34Å; T134-I136 PolarHBondContact O-N 3.48Å; T134-F137 WeakPolarHBondContact O-CB 3.39Å; T134-F137 PolarHBondContact O-N 3.3Å; T134-V138 WeakPolarHBondContact O-CG2 3.27Å; T134-V138 PolarHBondContact O-N 2.7Å; T134-S181 WeakPolarHBondContact OG1-CB 3.26Å
135	V	96.8	Very high	95.8	Very high	80 Å²	80	29 Å²	29	49%	0.485	16%	0.157	S	C	.	.	H	α-helix	trans	-60.7	-44.9	175.3	171.8	0	0	0	0	110.8	P131 L132 F137 V138 A139 L178	P131-V135 WeakPolarHBondContact O-CG2 3.25Å; P131-V135 PolarHBondContact O-N 3.38Å; L132-V135 PolarHBondContact O-N 3.02Å; V135-F137 PolarHBondContact O-N 2.87Å; V135-V138 PolarHBondContact O-N 3.06Å; V135-A139 WeakPolarHBondContact O-CB 3.3Å; V135-A139 PolarHBondContact O-N 2.72Å; V135-L178 HydrophobicContact CG2-CD1 4.23Å
136	I	97.4	Very high	96	Very high	41 Å²	41	29.7 Å²	29.7	21%	0.21	16%	0.161	C	C	.	.	H	α-helix	trans	-61.4	-45.4	176.1	-67.1	165.2	0	0	0	110.7	M31 V35 L132 L133 T134 V138 A139 V140	M31-I136 HydrophobicContact CE-CD1 4.32Å; V35-I136 HydrophobicContact CG2-CG2 3.72Å; L132-I136 HydrophobicContact CG-CD1 4.39Å; L132-I136 WeakPolarHBondContact O-CG1 3.49Å; L132-I136 PolarHBondContact O-N 3.35Å; L133-I136 PolarHBondContact O-N 3.05Å; T134-I136 VanDerWaalsContact C-N 3.34Å; T134-I136 PolarHBondContact O-N 3.48Å; I136-V138 PolarHBondContact O-N 3.43Å; I136-A139 PolarHBondContact O-N 2.82Å; I136-V140 HydrophobicContact CG2-CG2 4.22Å; I136-V140 WeakPolarHBondContact O-CB 3.41Å; I136-V140 VanDerWaalsContact O-CG2 3.29Å; I136-V140 WeakPolarHBondContact O-CG2 3.46Å; I136-V140 PolarHBondContact O-N 3.5Å
137	F	97.9	Very high	96.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-56.9	-48.3	178	-178.3	-89.3	0	0	0	111.8	I34 I41 L70 V78 L133 T134 V135 G141	I34-F137 HydrophobicContact CG2-CB 3.67Å; I34-F137 HydrophobicContact CG2-CD2 3.91Å; I34-F137 HydrophobicContact CG2-CG 4.28Å; I34-F137 WeakPolarHBondContact O-CD2 3.5Å; I41-F137 HydrophobicContact CB-CZ 4.37Å; I41-F137 HydrophobicContact CD1-CE2 4.04Å; I41-F137 HydrophobicContact CD1-CZ 3.66Å; I41-F137 HydrophobicContact CG2-CZ 4.44Å; L70-F137 HydrophobicContact CD2-CE1 3.86Å; V78-F137 HydrophobicContact CB-CE1 4.43Å; V78-F137 HydrophobicContact CB-CE2 4.36Å; V78-F137 HydrophobicContact CB-CZ 3.9Å; V78-F137 HydrophobicContact CG1-CE2 3.82Å; V78-F137 HydrophobicContact CG1-CZ 3.75Å; L133-F137 WeakPolarHBondContact O-CB 3.24Å; L133-F137 PolarHBondContact O-N 2.83Å; T134-F137 WeakPolarHBondContact O-CB 3.39Å; T134-F137 PolarHBondContact O-N 3.3Å; V135-F137 PolarHBondContact O-N 2.87Å; F137-G141 PolarHBondContact O-N 2.87Å
138	V	97.5	Very high	96.3	Very high	10 Å²	10	31.1 Å²	31.1	6%	0.061	17%	0.168	C	C	.	.	H	α-helix	trans	-65.8	-45.4	-179.9	172.1	0	0	0	0	110.8	L70 L71 T134 V135 I136 V140 G141 I142	L70-V138 HydrophobicContact CB-CG1 4.36Å; L70-V138 HydrophobicContact CB-CG2 4.43Å; L71-V138 HydrophobicContact CD2-CG1 3.73Å; L71-V138 HydrophobicContact CG-CG1 3.88Å; T134-V138 WeakPolarHBondContact O-CG2 3.27Å; T134-V138 PolarHBondContact O-N 2.7Å; V135-V138 PolarHBondContact O-N 3.06Å; I136-V138 PolarHBondContact O-N 3.43Å; V138-V140 PolarHBondContact O-N 3.22Å; V138-G141 PolarHBondContact O-N 3.44Å; V138-I142 HydrophobicContact CG1-CD1 3.74Å; V138-I142 HydrophobicContact CG1-CG1 4.33Å; V138-I142 VanDerWaalsContact O-CG1 3.29Å; V138-I142 WeakPolarHBondContact O-CG1 3.33Å; V138-I142 PolarHBondContact O-N 2.75Å
139	A	96.7	Very high	96.3	Very high	58 Å²	58	27.1 Å²	27.1	48%	0.479	15%	0.147	S	C	.	.	H	α-helix	trans	-60.4	-47.6	179.6	0	0	0	0	0	112	V135 I136 I142 W143	V135-A139 WeakPolarHBondContact O-CB 3.3Å; V135-A139 PolarHBondContact O-N 2.72Å; I136-A139 PolarHBondContact O-N 2.82Å; A139-I142 PolarHBondContact O-N 2.75Å; A139-W143 WeakPolarHBondContact O-CB 3.29Å; A139-W143 PolarHBondContact O-N 2.81Å
140	V	97.6	Very high	96.2	Very high	32 Å²	32	28.5 Å²	28.5	19%	0.194	16%	0.156	C	C	.	.	H	α-helix	trans	-69.9	-33.6	178.7	175.5	0	0	0	0	111.6	V35 V39 I136 V138 W143 G144	V35-V140 HydrophobicContact CG1-CG1 4.19Å; V39-V140 HydrophobicContact CB-CG1 4.21Å; V39-V140 HydrophobicContact CG2-CG1 3.17Å; I136-V140 HydrophobicContact CG2-CG2 4.22Å; I136-V140 WeakPolarHBondContact O-CB 3.41Å; I136-V140 VanDerWaalsContact O-CG2 3.29Å; I136-V140 WeakPolarHBondContact O-CG2 3.46Å; I136-V140 PolarHBondContact O-N 3.5Å; V138-V140 PolarHBondContact O-N 3.22Å; V140-W143 WeakPolarHBondContact O-CB 3.48Å; V140-W143 PolarHBondContact O-N 2.82Å; V140-G144 PolarHBondContact O-N 3.32Å
141	G	97.5	Very high	96.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-68.2	-42	174.8	0	0	0	0	0	113.2	G38 G42 L70 F137 V138 W143 G144 G145	G38-G141 VanDerWaalsContact O-CA 3.23Å; G38-G141 WeakPolarHBondContact O-CA 3.31Å; G42-G141 WeakPolarHBondContact CA-O 3.1Å; L70-G141 VanDerWaalsContact CD1-C 3.44Å; F137-G141 PolarHBondContact O-N 2.87Å; V138-G141 PolarHBondContact O-N 3.44Å; G141-W143 VanDerWaalsContact C-N 3.29Å; G141-W143 PolarHBondContact O-N 3.1Å; G141-G144 PolarHBondContact O-N 2.97Å; G141-G145 PolarHBondContact O-N 3.41Å
142	I	96.4	Very high	96	Very high	19 Å²	19	39.8 Å²	39.8	10%	0.097	21%	0.21	C	C	.	.	H	α-helix	trans	-61.5	-42.8	172.2	-68.8	169.4	0	0	0	109.8	A67 L70 V138 A139 G144 G145 S146 W161 M164	A67-I142 HydrophobicContact CB-CD1 3.98Å; A67-I142 HydrophobicContact CB-CG1 4.19Å; L70-I142 HydrophobicContact CD1-CG1 4.03Å; V138-I142 HydrophobicContact CG1-CD1 3.74Å; V138-I142 HydrophobicContact CG1-CG1 4.33Å; V138-I142 VanDerWaalsContact O-CG1 3.29Å; V138-I142 WeakPolarHBondContact O-CG1 3.33Å; V138-I142 PolarHBondContact O-N 2.75Å; A139-I142 PolarHBondContact O-N 2.75Å; I142-G144 PolarHBondContact O-N 2.85Å; I142-G145 PolarHBondContact O-N 3Å; I142-S146 PolarHBondContact O-N 2.92Å; I142-W161 HydrophobicContact CG2-CH2 4.08Å; I142-W161 HydrophobicContact CG2-CZ3 3.91Å; I142-M164 HydrophobicContact CD1-SD 4.24Å; I142-M164 HydrophobicContact CG2-SD 3.64Å
143	W	96.1	Very high	95.7	Very high	140 Å²	140	38.6 Å²	38.6	53%	0.53	20%	0.2	S	C	.	.	H	α-helix	trans	-60.4	-44.5	174.8	-176.9	75.8	0	0	0	112.3	V39 A139 V140 G141 G145 S146 L147	V39-W143 HydrophobicContact CG1-CZ3 4.47Å; V39-W143 HydrophobicContact CG2-CZ3 4.43Å; A139-W143 WeakPolarHBondContact O-CB 3.29Å; A139-W143 PolarHBondContact O-N 2.81Å; V140-W143 WeakPolarHBondContact O-CB 3.48Å; V140-W143 PolarHBondContact O-N 2.82Å; G141-W143 VanDerWaalsContact C-N 3.29Å; G141-W143 PolarHBondContact O-N 3.1Å; W143-G145 VanDerWaalsContact C-N 3.34Å; W143-G145 PolarHBondContact O-N 2.84Å; W143-S146 PolarHBondContact O-N 3.42Å; W143-S146 VanDerWaalsContact O-N 3.14Å; W143-S146 PolarHBondContact O-OG 2.85Å; W143-L147 PolarHBondContact O-N 3.39Å
144	G	96.3	Very high	95.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.6	-39.2	174.8	0	0	0	0	0	113.4	M43 V140 G141 I142 L147 V148	M43-G144 WeakPolarHBondContact CG-O 3.42Å; V140-G144 PolarHBondContact O-N 3.32Å; G141-G144 PolarHBondContact O-N 2.97Å; I142-G144 PolarHBondContact O-N 2.85Å; G144-L147 PolarHBondContact O-N 3.23Å; G144-V148 PolarHBondContact O-N 3.3Å
145	G	95.1	Very high	95.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-66.4	-38.7	172.9	0	0	0	0	0	112.8	G42 G141 I142 W143 V148 G149	G42-G145 VanDerWaalsContact O-CA 3.29Å; G42-G145 WeakPolarHBondContact O-CA 3.4Å; G42-G145 PolarHBondContact O-N 2.92Å; G141-G145 PolarHBondContact O-N 3.41Å; I142-G145 PolarHBondContact O-N 3Å; W143-G145 VanDerWaalsContact C-N 3.34Å; W143-G145 PolarHBondContact O-N 2.84Å; G145-V148 PolarHBondContact O-N 3.01Å; G145-G149 PolarHBondContact O-N 3.47Å
146	S	95.3	Very high	95.1	Very high	13 Å²	13	42.4 Å²	42.4	9%	0.091	23%	0.232	C	C	.	.	H	α-helix	trans	-66.1	-37	175.8	80.3	0	0	0	0	112.4	I142 W143 V148 G149 V150 F160	I142-S146 PolarHBondContact O-N 2.92Å; W143-S146 PolarHBondContact O-N 3.42Å; W143-S146 VanDerWaalsContact O-N 3.14Å; W143-S146 PolarHBondContact O-OG 2.85Å; S146-V148 PolarHBondContact O-N 2.95Å; S146-G149 PolarHBondContact O-N 3.42Å; S146-V150 WeakPolarHBondContact O-CA 3.27Å; S146-V150 WeakPolarHBondContact O-CB 3.4Å; S146-V150 PolarHBondContact O-N 3.07Å; S146-F160 VanDerWaalsContact CB-CE1 3.48Å
147	L	95.8	Very high	94.8	Very high	45 Å²	45	42.9 Å²	42.9	24%	0.236	24%	0.239	C	C	.	.	I	π-helix	trans	-59.5	-48.4	176.5	-178	69.7	0	0	0	110.6	M43 W143 G144 S151 W152	M43-L147 HydrophobicContact SD-CD2 4.3Å; W143-L147 PolarHBondContact O-N 3.39Å; G144-L147 PolarHBondContact O-N 3.23Å; L147-S151 WeakPolarHBondContact O-CA 3.24Å; L147-S151 WeakPolarHBondContact O-CB 3.41Å; L147-S151 PolarHBondContact O-N 3.26Å; L147-W152 PolarHBondContact O-N 2.72Å
148	V	95.4	Very high	94.5	Very high	1 Å²	1	45 Å²	45	1%	0.006	26%	0.261	C	S	.	.	I	π-helix	trans	-69.9	-48.7	178.9	177.8	0	0	0	0	111.4	M43 L47 G144 G145 S146 W152 K153	M43-V148 HydrophobicContact CB-CG2 3.72Å; M43-V148 HydrophobicContact CG-CG2 3.81Å; L47-V148 HydrophobicContact CB-CG1 3.95Å; L47-V148 HydrophobicContact CD1-CG1 4.25Å; G144-V148 PolarHBondContact O-N 3.3Å; G145-V148 PolarHBondContact O-N 3.01Å; S146-V148 PolarHBondContact O-N 2.95Å; V148-W152 HydrophobicContact CB-CE3 4.41Å; V148-W152 HydrophobicContact CG1-CE3 4.31Å; V148-W152 HydrophobicContact CG2-CE3 3.87Å; V148-W152 HydrophobicContact CG2-CZ3 4Å; V148-W152 WeakPolarHBondContact O-CB 3.37Å; V148-W152 PolarHBondContact O-N 3.2Å; V148-K153 HydrophobicContact CG1-CG 4.36Å; V148-K153 WeakPolarHBondContact O-CG 3.34Å; V148-K153 PolarHBondContact O-N 2.86Å
149	G	93	Very high	94.2	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.284	C	S	.	.	I	π-helix	trans	-65.6	-52.1	-175.9	0	0	0	0	0	113.4	G145 S146 K153 G154 I155	G145-G149 PolarHBondContact O-N 3.47Å; S146-G149 PolarHBondContact O-N 3.42Å; G149-K153 CarbonylContact O-C 3.56Å; G149-G154 PolarHBondContact O-N 3.27Å; G149-I155 WeakPolarHBondContact O-CB 3.4Å; G149-I155 PolarHBondContact O-N 2.84Å
150	V	94.4	Very high	94.1	Very high	34 Å²	34	47.8 Å²	47.8	21%	0.206	26%	0.262	C	S	.	.	I	π-helix	trans	-83.5	-51.7	-175.2	179.7	0	0	0	0	110.9	S146 G154 I155 F160	S146-V150 WeakPolarHBondContact O-CA 3.27Å; S146-V150 WeakPolarHBondContact O-CB 3.4Å; S146-V150 PolarHBondContact O-N 3.07Å; V150-G154 WeakPolarHBondContact O-CA 3.38Å; V150-G154 PolarHBondContact O-N 2.95Å; V150-I155 WeakPolarHBondContact CA-O 3.48Å; V150-I155 WeakPolarHBondContact CG1-O 3.17Å; V150-F160 HydrophobicContact CG2-CB 3.82Å; V150-F160 HydrophobicContact CG2-CD1 4.47Å; V150-F160 HydrophobicContact CG2-CD2 4.2Å; V150-F160 HydrophobicContact CG2-CG 3.92Å
151	S	92	Very high	93.9	Very high	83 Å²	83	50.5 Å²	50.5	58%	0.58	27%	0.269	S	S	*	.	I	π-helix	trans	-81.4	-34.6	-170	-47.4	0	0	0	0	113.4	L147	L147-S151 WeakPolarHBondContact O-CA 3.24Å; L147-S151 WeakPolarHBondContact O-CB 3.41Å; L147-S151 PolarHBondContact O-N 3.26Å
152	W	93.8	Very high	93.8	Very high	164 Å²	164	53.2 Å²	53.2	62%	0.621	29%	0.287	S	S	*	.	I	π-helix	trans	-101.2	-35.7	-176.7	-62.8	-5.5	0	0	0	113.9	L147 V148	L147-W152 PolarHBondContact O-N 2.72Å; V148-W152 HydrophobicContact CB-CE3 4.41Å; V148-W152 HydrophobicContact CG1-CE3 4.31Å; V148-W152 HydrophobicContact CG2-CE3 3.87Å; V148-W152 HydrophobicContact CG2-CZ3 4Å; V148-W152 WeakPolarHBondContact O-CB 3.37Å; V148-W152 PolarHBondContact O-N 3.2Å
153	K	91.9	Very high	93.5	Very high	84 Å²	84	53.5 Å²	53.5	37%	0.365	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-10.5	-178	-62.1	-56	-176.2	-174.8	0	114.1	L47 Y50 V148 G149	L47-K153 VanDerWaalsContact CD1-CE 3.44Å; Y50-K153 HydrophobicContact CD1-CB 4.13Å; Y50-K153 HydrophobicContact CD1-CD 3.9Å; Y50-K153 HydrophobicContact CD1-CG 3.74Å; Y50-K153 HydrophobicContact CD2-CB 3.85Å; Y50-K153 HydrophobicContact CD2-CG 4.21Å; Y50-K153 HydrophobicContact CE1-CB 3.97Å; Y50-K153 HydrophobicContact CE1-CD 3.78Å; Y50-K153 HydrophobicContact CE1-CG 3.91Å; Y50-K153 HydrophobicContact CE2-CB 3.67Å; Y50-K153 HydrophobicContact CE2-CG 4.35Å; Y50-K153 HydrophobicContact CG-CB 4.07Å; Y50-K153 HydrophobicContact CG-CG 3.89Å; V148-K153 HydrophobicContact CG1-CG 4.36Å; V148-K153 WeakPolarHBondContact O-CG 3.34Å; V148-K153 PolarHBondContact O-N 2.86Å; G149-K153 CarbonylContact O-C 3.56Å
154	G	90.1	Very high	93.5	Very high	63 Å²	63	47.9 Å²	47.9	65%	0.649	27%	0.273	S	S	*	.			trans	82.7	18.6	170.2	0	0	0	0	0	115.3	G149 V150 D156	G149-G154 PolarHBondContact O-N 3.27Å; V150-G154 WeakPolarHBondContact O-CA 3.38Å; V150-G154 PolarHBondContact O-N 2.95Å; G154-D156 PolarHBondContact O-N 2.94Å
155	I	92.2	Very high	93.3	Very high	11 Å²	11	54.2 Å²	54.2	6%	0.056	30%	0.302	C	S	.	.			trans	-64.5	134.1	170.4	-65.7	163.5	0	0	0	108.9	Y50 E59 L62 G149 V150 S157 F160	Y50-I155 HydrophobicContact CD2-CD1 3.67Å; Y50-I155 HydrophobicContact CD2-CG1 4.26Å; Y50-I155 HydrophobicContact CE2-CD1 4Å; Y50-I155 HydrophobicContact CE2-CG1 4.06Å; E59-I155 HydrophobicContact CB-CD1 4.45Å; E59-I155 HydrophobicContact CB-CG1 4.5Å; E59-I155 WeakPolarHBondContact O-CD1 2.92Å; L62-I155 HydrophobicContact CB-CD1 3.84Å; L62-I155 HydrophobicContact CD2-CD1 3.43Å; L62-I155 VanDerWaalsContact CD2-CD1 3.43Å; L62-I155 HydrophobicContact CG-CD1 4.28Å; G149-I155 WeakPolarHBondContact O-CB 3.4Å; G149-I155 PolarHBondContact O-N 2.84Å; V150-I155 WeakPolarHBondContact CA-O 3.48Å; V150-I155 WeakPolarHBondContact CG1-O 3.17Å; I155-S157 PolarHBondContact O-N 3.42Å; I155-F160 HydrophobicContact CG2-CB 4.32Å
156	D	94.4	Very high	93.2	Very high	93 Å²	93	60.7 Å²	60.7	50%	0.497	34%	0.337	S	S	.	.			trans	-58.1	131.4	174.6	174.1	-95.6	0	0	0	111.6	G154 G158 F159 F160	G154-D156 PolarHBondContact O-N 2.94Å; D156-G158 VanDerWaalsContact C-N 3.3Å; D156-G158 PolarHBondContact O-N 3.21Å; D156-G158 VanDerWaalsContact OD1-CA 3.23Å; D156-G158 WeakPolarHBondContact OD1-CA 3.41Å; D156-G158 PolarHBondContact OD1-N 2.93Å; D156-F159 HydrophobicContact CB-CB 4.39Å; D156-F159 HydrophobicContact CB-CD2 3.83Å; D156-F159 PolarHBondContact O-N 3.07Å; D156-F159 WeakPolarHBondContact OD1-CD2 3.36Å; D156-F159 PolarHBondContact OD1-N 3.02Å; D156-F160 PolarHBondContact O-N 3.37Å
157	S	91.8	Very high	93.1	Very high	51 Å²	51	61.2 Å²	61.2	36%	0.357	34%	0.342	S	S	.	.	H	α-helix	trans	-63.4	-37.5	-176	-169	0	0	0	0	112.1	I155 F160 W161	I155-S157 PolarHBondContact O-N 3.42Å; S157-F160 PolarHBondContact O-N 2.91Å; S157-W161 PolarHBondContact O-N 3.26Å; S157-W161 VanDerWaalsContact O-N 3.1Å; S157-W161 PolarHBondContact OG-NE1 2.92Å
158	G	90.7	Very high	93	Very high	44 Å²	44	60.4 Å²	60.4	45%	0.454	34%	0.339	S	S	.	.	H	α-helix	trans	-61	-47.3	177.5	0	0	0	0	0	111.5	D156 S162	D156-G158 VanDerWaalsContact C-N 3.3Å; D156-G158 PolarHBondContact O-N 3.21Å; D156-G158 VanDerWaalsContact OD1-CA 3.23Å; D156-G158 WeakPolarHBondContact OD1-CA 3.41Å; D156-G158 PolarHBondContact OD1-N 2.93Å; G158-S162 WeakPolarHBondContact O-CB 3.14Å; G158-S162 PolarHBondContact O-N 2.9Å
159	F	92	Very high	92.9	Very high	126 Å²	126	64.1 Å²	64.1	55%	0.553	36%	0.359	S	S	*	.	H	α-helix	trans	-62.5	-44.9	175.4	-81.1	-75.6	0	0	0	112.6	T60 D156 W161 S162 A163	T60-F159 HydrophobicContact CG2-CB 4.37Å; T60-F159 HydrophobicContact CG2-CD1 4.36Å; T60-F159 HydrophobicContact CG2-CG 4.35Å; D156-F159 HydrophobicContact CB-CB 4.39Å; D156-F159 HydrophobicContact CB-CD2 3.83Å; D156-F159 PolarHBondContact O-N 3.07Å; D156-F159 WeakPolarHBondContact OD1-CD2 3.36Å; D156-F159 PolarHBondContact OD1-N 3.02Å; F159-W161 PolarHBondContact O-N 3.3Å; F159-S162 PolarHBondContact O-N 3.37Å; F159-A163 WeakPolarHBondContact O-CB 3.33Å; F159-A163 PolarHBondContact O-N 2.83Å
160	F	94.2	Very high	92.8	Very high	0 Å²	0	72.5 Å²	72.5	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-56.3	-50.3	179.1	-178.2	-85.7	0	0	0	111.9	L62 S146 V150 I155 D156 S157 M164	L62-F160 HydrophobicContact CD2-CE2 4.42Å; L62-F160 HydrophobicContact CG-CE2 4.32Å; S146-F160 VanDerWaalsContact CB-CE1 3.48Å; V150-F160 HydrophobicContact CG2-CB 3.82Å; V150-F160 HydrophobicContact CG2-CD1 4.47Å; V150-F160 HydrophobicContact CG2-CD2 4.2Å; V150-F160 HydrophobicContact CG2-CG 3.92Å; I155-F160 HydrophobicContact CG2-CB 4.32Å; D156-F160 PolarHBondContact O-N 3.37Å; S157-F160 PolarHBondContact O-N 2.91Å; F160-M164 WeakPolarHBondContact O-CB 3.39Å; F160-M164 PolarHBondContact O-N 3.43Å
161	W	94.7	Very high	92.5	Very high	90 Å²	90	80.4 Å²	80.4	34%	0.341	42%	0.416	S	S	.	.	H	α-helix	trans	-73.8	-40.4	-178.3	-68.4	113.7	0	0	0	112.5	I142 S157 F159 M164 Q165	I142-W161 HydrophobicContact CG2-CH2 4.08Å; I142-W161 HydrophobicContact CG2-CZ3 3.91Å; S157-W161 PolarHBondContact O-N 3.26Å; S157-W161 VanDerWaalsContact O-N 3.1Å; S157-W161 PolarHBondContact OG-NE1 2.92Å; F159-W161 PolarHBondContact O-N 3.3Å; W161-M164 HydrophobicContact CE3-CE 3.49Å; W161-M164 VanDerWaalsContact CE3-CE 3.49Å; W161-M164 HydrophobicContact CE3-SD 4.2Å; W161-M164 HydrophobicContact CZ3-CE 3.67Å; W161-M164 HydrophobicContact CZ3-SD 4.15Å; W161-M164 PolarHBondContact O-N 2.86Å; W161-Q165 WeakPolarHBondContact O-CB 3.05Å; W161-Q165 VanDerWaalsContact O-CG 3.24Å; W161-Q165 WeakPolarHBondContact O-CG 3.04Å; W161-Q165 PolarHBondContact O-N 3.18Å
162	S	93.6	Very high	92.2	Very high	56 Å²	56	82.5 Å²	82.5	39%	0.392	42%	0.419	S	S	.	.	H	α-helix	trans	-66.4	-44.8	179.6	-177.2	0	0	0	0	111.9	G158 F159 M164 Q165 N166	G158-S162 WeakPolarHBondContact O-CB 3.14Å; G158-S162 PolarHBondContact O-N 2.9Å; F159-S162 PolarHBondContact O-N 3.37Å; S162-M164 VanDerWaalsContact C-N 3.31Å; S162-M164 PolarHBondContact O-N 2.94Å; S162-Q165 PolarHBondContact O-N 3.18Å; S162-N166 WeakPolarHBondContact O-CB 3.43Å; S162-N166 VanDerWaalsContact O-CG 3.25Å; S162-N166 PolarHBondContact O-N 2.92Å; S162-N166 PolarHBondContact O-ND2 3.26Å
163	A	92	Very high	92.1	Very high	26 Å²	26	74.8 Å²	74.8	22%	0.215	39%	0.39	C	S	.	.	H	α-helix	trans	-62.2	-40.3	176.8	0	0	0	0	0	111.6	T60 F159 A167	T60-A163 WeakPolarHBondContact O-CB 3.42Å; F159-A163 WeakPolarHBondContact O-CB 3.33Å; F159-A163 PolarHBondContact O-N 2.83Å; A163-A167 VanDerWaalsContact O-CB 3.32Å; A163-A167 WeakPolarHBondContact O-CB 3.18Å; A163-A167 PolarHBondContact O-N 3.49Å
164	M	94.5	Very high	92.2	Very high	22 Å²	22	74.2 Å²	74.2	11%	0.108	39%	0.39	C	S	.	.	H	α-helix	trans	-63.2	-49.1	174.3	-174.5	-166.6	76.1	0	0	111.9	A67 I142 F160 W161 S162 N166 A167 V168	A67-M164 HydrophobicContact CB-CG 3.42Å; A67-M164 VanDerWaalsContact CB-CG 3.42Å; A67-M164 HydrophobicContact CB-SD 3.73Å; I142-M164 HydrophobicContact CD1-SD 4.24Å; I142-M164 HydrophobicContact CG2-SD 3.64Å; F160-M164 WeakPolarHBondContact O-CB 3.39Å; F160-M164 PolarHBondContact O-N 3.43Å; W161-M164 HydrophobicContact CE3-CE 3.49Å; W161-M164 VanDerWaalsContact CE3-CE 3.49Å; W161-M164 HydrophobicContact CE3-SD 4.2Å; W161-M164 HydrophobicContact CZ3-CE 3.67Å; W161-M164 HydrophobicContact CZ3-SD 4.15Å; W161-M164 PolarHBondContact O-N 2.86Å; S162-M164 VanDerWaalsContact C-N 3.31Å; S162-M164 PolarHBondContact O-N 2.94Å; M164-N166 VanDerWaalsContact C-N 3.31Å; M164-N166 PolarHBondContact O-N 3.39Å; M164-A167 PolarHBondContact O-N 3.37Å; M164-A167 VanDerWaalsContact O-N 3.14Å; M164-V168 HydrophobicContact CG-CG2 4.05Å; M164-V168 WeakPolarHBondContact O-CB 3.25Å; M164-V168 VanDerWaalsContact O-CG2 3.3Å; M164-V168 WeakPolarHBondContact O-CG2 3.32Å; M164-V168 PolarHBondContact O-N 2.91Å
165	Q	93.5	Very high	92.3	Very high	132 Å²	132	73.8 Å²	73.8	62%	0.617	38%	0.375	S	S	*	.	H	α-helix	trans	-62	-38.1	-179.5	-76	173.3	4.4	0	0	112.4	W161 S162 A167	W161-Q165 WeakPolarHBondContact O-CB 3.05Å; W161-Q165 VanDerWaalsContact O-CG 3.24Å; W161-Q165 WeakPolarHBondContact O-CG 3.04Å; W161-Q165 PolarHBondContact O-N 3.18Å; S162-Q165 PolarHBondContact O-N 3.18Å; Q165-A167 VanDerWaalsContact C-N 3.28Å; Q165-A167 PolarHBondContact O-N 2.99Å
166	N	92.9	Very high	92.2	Very high	136 Å²	136	76 Å²	76	73%	0.727	39%	0.387	S	S	*	.	H	α-helix	trans	-69.7	-26.7	177	-71.1	-25.6	0	0	0	112.8	S162 M164	S162-N166 WeakPolarHBondContact O-CB 3.43Å; S162-N166 VanDerWaalsContact O-CG 3.25Å; S162-N166 PolarHBondContact O-N 2.92Å; S162-N166 PolarHBondContact O-ND2 3.26Å; M164-N166 VanDerWaalsContact C-N 3.31Å; M164-N166 PolarHBondContact O-N 3.39Å
167	A	91.9	Very high	92.1	Very high	24 Å²	24	72 Å²	72	20%	0.198	37%	0.366	C	S	.	.	H	α-helix	trans	-94.4	-27.9	-175.9	0	0	0	0	0	114.3	M64 L68 A163 M164 Q165	M64-A167 HydrophobicContact CB-CB 3.8Å; M64-A167 HydrophobicContact CE-CB 3.92Å; M64-A167 HydrophobicContact CG-CB 3.36Å; M64-A167 HydrophobicContact SD-CB 3.51Å; M64-A167 VanDerWaalsContact SD-CB 3.51Å; L68-A167 HydrophobicContact CD1-CB 4.4Å; A163-A167 VanDerWaalsContact O-CB 3.32Å; A163-A167 WeakPolarHBondContact O-CB 3.18Å; A163-A167 PolarHBondContact O-N 3.49Å; M164-A167 PolarHBondContact O-N 3.37Å; M164-A167 VanDerWaalsContact O-N 3.14Å; Q165-A167 VanDerWaalsContact C-N 3.28Å; Q165-A167 PolarHBondContact O-N 2.99Å
168	V	94.4	Very high	92.2	Very high	29 Å²	29	73.4 Å²	73.4	18%	0.176	37%	0.369	C	S	.	.			trans	-85.2	113.6	-178	173.9	0	0	0	0	110.1	A67 L68 L71 M164 D173 L174	A67-V168 HydrophobicContact CB-CG2 3.85Å; L68-V168 HydrophobicContact CD2-CG2 4.09Å; L71-V168 HydrophobicContact CD1-CB 4.43Å; L71-V168 HydrophobicContact CD1-CG1 3.56Å; L71-V168 HydrophobicContact CD1-CG2 3.9Å; M164-V168 HydrophobicContact CG-CG2 4.05Å; M164-V168 WeakPolarHBondContact O-CB 3.25Å; M164-V168 VanDerWaalsContact O-CG2 3.3Å; M164-V168 WeakPolarHBondContact O-CG2 3.32Å; M164-V168 PolarHBondContact O-N 2.91Å; V168-D173 HydrophobicContact CG1-CB 4.14Å; V168-L174 HydrophobicContact CG1-CD1 4.06Å; V168-L174 HydrophobicContact CG1-CG 4.37Å
169	D	93	Very high	92.1	Very high	78 Å²	78	75.9 Å²	75.9	42%	0.417	37%	0.371	S	S	.	.			trans	-87.6	135.4	175.6	-176.5	-91.3	0	0	0	111.6	R171 M172 D173 L174	D169-R171 PolarHBondContact O-N 2.76Å; D169-R171 WeakPolarHBondContact OD1-CA 3.26Å; D169-R171 PolarHBondContact OD1-N 3.37Å; D169-M172 HydrophobicContact CB-CB 4.09Å; D169-M172 PolarHBondContact OD1-N 3.44Å; D169-D173 PolarHBondContact N-OD2 2.64Å; D169-D173 VanDerWaalsContact O-CB 3.25Å; D169-D173 WeakPolarHBondContact O-CB 3.22Å; D169-D173 PolarHBondContact O-N 3.48Å; D169-L174 PolarHBondContact O-N 3.32Å
170	W	90.2	Very high	92	Very high	177 Å²	177	71.3 Å²	71.3	67%	0.67	35%	0.351	S	S	*	.	I	π-helix	trans	-58.9	-43.8	-179.2	174.1	-101.1	0	0	0	113.2	L174 V175	W170-L174 HydrophobicContact CE3-CB 4.33Å; W170-L174 HydrophobicContact CE3-CD1 3.71Å; W170-L174 HydrophobicContact CZ3-CD1 4.11Å; W170-L174 WeakPolarHBondContact O-CB 3.48Å; W170-V175 WeakPolarHBondContact O-CG2 3.3Å; W170-V175 PolarHBondContact O-N 2.76Å
171	R	88.1	Confident	92	Very high	199 Å²	199	71.3 Å²	71.3	75%	0.751	35%	0.351	S	S	*	.	I	π-helix	trans	-85.7	-46.1	-175.1	-69.4	-169.7	176.2	-146.9	0.7	111.7	D169 N176	D169-R171 PolarHBondContact O-N 2.76Å; D169-R171 WeakPolarHBondContact OD1-CA 3.26Å; D169-R171 PolarHBondContact OD1-N 3.37Å; R171-N176 PolarHBondContact O-N 2.83Å
172	M	87.5	Confident	91.8	Very high	128 Å²	128	69.6 Å²	69.6	63%	0.631	35%	0.35	S	S	*	.	I	π-helix	trans	-77	-27.1	-173.1	-65.6	-65.6	-73	0	0	112.9	D169 N176	D169-M172 HydrophobicContact CB-CB 4.09Å; D169-M172 PolarHBondContact OD1-N 3.44Å; M172-N176 WeakPolarHBondContact O-CB 3.47Å; M172-N176 PolarHBondContact O-ND2 2.98Å
173	D	91.8	Very high	91.5	Very high	2 Å²	2	69.9 Å²	69.9	1%	0.011	35%	0.349	C	S	.	.	I	π-helix	trans	-109.2	-63.1	-176.2	-55.9	-36.2	0	0	0	111.9	L68 L71 R72 V168 D169 C177	L68-D173 WeakPolarHBondContact CD2-OD2 3.49Å; L71-D173 HydrophobicContact CB-CB 4.38Å; L71-D173 HydrophobicContact CD1-CB 4.23Å; R72-D173 IonicContact CZ-OD1 3Å; R72-D173 IonicContact CZ-OD2 3.16Å; R72-D173 IonicContact NE-OD1 2.59Å; R72-D173 PolarHBondContact NE-OD1 3.08Å; R72-D173 IonicContact NE-OD2 2.65Å; R72-D173 VanDerWaalsContact NH2-CG 3.35Å; R72-D173 IonicContact NH2-OD1 2.84Å; R72-D173 PolarHBondContact NH2-OD1 3.07Å; R72-D173 IonicContact NH2-OD2 2.83Å; R72-D173 PolarHBondContact NH2-OD2 2.96Å; R72-D173 VanDerWaalsContact NH2-OD2 3.08Å; V168-D173 HydrophobicContact CG1-CB 4.14Å; D169-D173 PolarHBondContact N-OD2 2.64Å; D169-D173 VanDerWaalsContact O-CB 3.25Å; D169-D173 WeakPolarHBondContact O-CB 3.22Å; D169-D173 PolarHBondContact O-N 3.48Å; D173-C177 WeakPolarHBondContact O-CB 3.08Å; D173-C177 PolarHBondContact O-N 2.87Å
174	L	93.4	Very high	91.5	Very high	72 Å²	72	68.7 Å²	68.7	38%	0.377	34%	0.339	S	S	.	.	I	π-helix	trans	-66.7	-53.3	-175.3	-83.6	151.6	0	0	0	112.7	L71 V168 D169 W170 N176 C177 L178	L71-L174 HydrophobicContact CD2-CD2 3.98Å; L71-L174 HydrophobicContact CD2-CG 4.21Å; V168-L174 HydrophobicContact CG1-CD1 4.06Å; V168-L174 HydrophobicContact CG1-CG 4.37Å; D169-L174 PolarHBondContact O-N 3.32Å; W170-L174 HydrophobicContact CE3-CB 4.33Å; W170-L174 HydrophobicContact CE3-CD1 3.71Å; W170-L174 HydrophobicContact CZ3-CD1 4.11Å; W170-L174 WeakPolarHBondContact O-CB 3.48Å; L174-N176 VanDerWaalsContact C-N 3.33Å; L174-N176 PolarHBondContact O-N 3.06Å; L174-C177 WeakPolarHBondContact O-CB 3.26Å; L174-C177 PolarHBondContact O-N 3.12Å; L174-L178 PolarHBondContact O-N 3.21Å
175	V	91.7	Very high	91.4	Very high	54 Å²	54	67.7 Å²	67.7	33%	0.327	33%	0.334	S	S	.	.	I	π-helix	trans	-64.9	-39.2	179.2	171.3	0	0	0	0	111.1	W170 L178 I179	W170-V175 WeakPolarHBondContact O-CG2 3.3Å; W170-V175 PolarHBondContact O-N 2.76Å; V175-L178 PolarHBondContact O-N 3.12Å; V175-I179 HydrophobicContact CG1-CD1 3.66Å; V175-I179 HydrophobicContact CG1-CG1 4.24Å; V175-I179 VanDerWaalsContact O-CG1 3.26Å; V175-I179 WeakPolarHBondContact O-CG1 3.45Å; V175-I179 PolarHBondContact O-N 2.98Å
176	N	89.3	Confident	91.2	Very high	58 Å²	58	64.8 Å²	64.8	31%	0.31	32%	0.322	S	S	.	.	H	α-helix	trans	-66.9	-40.3	177.5	-165.3	8.2	0	0	0	112.4	R171 M172 L174 L178 I179 K180	R171-N176 PolarHBondContact O-N 2.83Å; M172-N176 WeakPolarHBondContact O-CB 3.47Å; M172-N176 PolarHBondContact O-ND2 2.98Å; L174-N176 VanDerWaalsContact C-N 3.33Å; L174-N176 PolarHBondContact O-N 3.06Å; N176-L178 VanDerWaalsContact C-N 3.3Å; N176-L178 PolarHBondContact O-N 3.34Å; N176-I179 PolarHBondContact O-N 3.46Å; N176-K180 WeakPolarHBondContact O-CB 3.38Å; N176-K180 VanDerWaalsContact O-CG 3.32Å; N176-K180 WeakPolarHBondContact O-CG 3.35Å; N176-K180 PolarHBondContact O-N 3.02Å
177	C	93.5	Very high	91	Very high	8 Å²	8	60.1 Å²	60.1	5%	0.054	30%	0.299	C	S	.	.	H	α-helix	trans	-55.6	-47.3	171.9	-174.6	0	0	0	0	110.7	L71 P76 D173 L174 K180 S181	L71-C177 HydrophobicContact CD2-CB 4.07Å; L71-C177 VanDerWaalsContact O-CB 3.26Å; L71-C177 WeakPolarHBondContact O-CB 3.43Å; L71-C177 PolarHBondContact O-SG 2.71Å; P76-C177 HydrophobicContact CG-CB 4.41Å; P76-C177 VanDerWaalsContact CG-SG 3.53Å; D173-C177 WeakPolarHBondContact O-CB 3.08Å; D173-C177 PolarHBondContact O-N 2.87Å; L174-C177 WeakPolarHBondContact O-CB 3.26Å; L174-C177 PolarHBondContact O-N 3.12Å; C177-K180 PolarHBondContact O-N 2.99Å; C177-S181 WeakPolarHBondContact O-CB 3.46Å; C177-S181 PolarHBondContact O-N 2.92Å; C177-S181 PolarHBondContact O-OG 3Å
178	L	93.5	Very high	91	Very high	81 Å²	81	59 Å²	59	42%	0.424	29%	0.289	S	S	.	.	H	α-helix	trans	-65	-47.7	178.1	-168.8	70.7	0	0	0	111.8	P131 V135 L174 V175 N176 K180 S181 V182	P131-L178 HydrophobicContact CB-CD1 3.78Å; V135-L178 HydrophobicContact CG2-CD1 4.23Å; L174-L178 PolarHBondContact O-N 3.21Å; V175-L178 PolarHBondContact O-N 3.12Å; N176-L178 VanDerWaalsContact C-N 3.3Å; N176-L178 PolarHBondContact O-N 3.34Å; L178-K180 VanDerWaalsContact C-N 3.34Å; L178-K180 PolarHBondContact O-N 3.12Å; L178-S181 WeakPolarHBondContact CA-OG 3.46Å; L178-S181 PolarHBondContact O-N 3.49Å; L178-S181 VanDerWaalsContact O-N 3.16Å; L178-S181 PolarHBondContact O-OG 3.25Å; L178-V182 WeakPolarHBondContact O-CG2 3.41Å; L178-V182 PolarHBondContact O-N 3.29Å
179	I	89.1	Confident	91	Very high	95 Å²	95	57.6 Å²	57.6	49%	0.487	28%	0.281	S	S	.	.	H	α-helix	trans	-57.7	-46.7	177.8	-70.4	167.7	0	0	0	110.7	V175 N176 S181 V182 V183	V175-I179 HydrophobicContact CG1-CD1 3.66Å; V175-I179 HydrophobicContact CG1-CG1 4.24Å; V175-I179 VanDerWaalsContact O-CG1 3.26Å; V175-I179 WeakPolarHBondContact O-CG1 3.45Å; V175-I179 PolarHBondContact O-N 2.98Å; N176-I179 PolarHBondContact O-N 3.46Å; I179-S181 VanDerWaalsContact C-N 3.35Å; I179-S181 PolarHBondContact O-N 3.28Å; I179-V182 PolarHBondContact O-N 3.47Å; I179-V183 WeakPolarHBondContact O-CG2 3.39Å; I179-V183 PolarHBondContact O-N 2.74Å
180	K	90.3	Very high	90.9	Very high	31 Å²	31	58.6 Å²	58.6	14%	0.135	28%	0.279	C	S	.	.	H	α-helix	trans	-59.4	-45.5	176.4	-74.3	176.1	-178.3	174.4	0	111.6	R72 E73 P76 N176 C177 L178 V182 V183 F184	R72-K180 PolarHBondContact O-NZ 3.07Å; E73-K180 IonicContact OE1-NZ 2.83Å; P76-K180 HydrophobicContact CB-CB 4.06Å; P76-K180 HydrophobicContact CG-CB 4.27Å; N176-K180 WeakPolarHBondContact O-CB 3.38Å; N176-K180 VanDerWaalsContact O-CG 3.32Å; N176-K180 WeakPolarHBondContact O-CG 3.35Å; N176-K180 PolarHBondContact O-N 3.02Å; C177-K180 PolarHBondContact O-N 2.99Å; L178-K180 VanDerWaalsContact C-N 3.34Å; L178-K180 PolarHBondContact O-N 3.12Å; K180-V182 VanDerWaalsContact C-N 3.3Å; K180-V182 PolarHBondContact O-N 3.22Å; K180-V183 PolarHBondContact O-N 3.44Å; K180-F184 WeakPolarHBondContact O-CG 3.45Å; K180-F184 PolarHBondContact O-N 2.95Å
181	S	92.8	Very high	91	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-61.7	-37	178.3	72	0	0	0	0	112.3	P131 T134 C177 L178 I179 F184 A185	P131-S181 VanDerWaalsContact CA-OG 3.3Å; P131-S181 WeakPolarHBondContact CA-OG 3.33Å; P131-S181 WeakPolarHBondContact CB-OG 3.45Å; T134-S181 WeakPolarHBondContact OG1-CB 3.26Å; C177-S181 WeakPolarHBondContact O-CB 3.46Å; C177-S181 PolarHBondContact O-N 2.92Å; C177-S181 PolarHBondContact O-OG 3Å; L178-S181 WeakPolarHBondContact CA-OG 3.46Å; L178-S181 PolarHBondContact O-N 3.49Å; L178-S181 VanDerWaalsContact O-N 3.16Å; L178-S181 PolarHBondContact O-OG 3.25Å; I179-S181 VanDerWaalsContact C-N 3.35Å; I179-S181 PolarHBondContact O-N 3.28Å; S181-F184 PolarHBondContact O-N 2.73Å; S181-A185 VanDerWaalsContact O-CB 3.25Å; S181-A185 WeakPolarHBondContact O-CB 3.09Å; S181-A185 PolarHBondContact O-N 3.21Å
182	V	90.5	Very high	91.4	Very high	53 Å²	53	42 Å²	42	32%	0.321	22%	0.218	S	C	.	.	H	α-helix	trans	-65.8	-44.9	174.3	172.4	0	0	0	0	111	P131 L178 I179 K180 A185 I186	P131-V182 HydrophobicContact CB-CG2 4.15Å; P131-V182 HydrophobicContact CG-CB 4.35Å; P131-V182 HydrophobicContact CG-CG2 3.57Å; L178-V182 WeakPolarHBondContact O-CG2 3.41Å; L178-V182 PolarHBondContact O-N 3.29Å; I179-V182 PolarHBondContact O-N 3.47Å; K180-V182 VanDerWaalsContact C-N 3.3Å; K180-V182 PolarHBondContact O-N 3.22Å; V182-A185 WeakPolarHBondContact O-CB 3.43Å; V182-A185 PolarHBondContact O-N 3.17Å; V182-A185 VanDerWaalsContact O-N 3.15Å; V182-I186 HydrophobicContact CG1-CD1 4.11Å; V182-I186 WeakPolarHBondContact O-CG1 3.5Å; V182-I186 PolarHBondContact O-N 3.49Å
183	V	87.9	Confident	91.6	Very high	63 Å²	63	36 Å²	36	38%	0.382	19%	0.188	S	C	.	.	H	α-helix	trans	-59.7	-48.9	176.4	173	0	0	0	0	110.3	I179 K180 A185 I186 T187	I179-V183 WeakPolarHBondContact O-CG2 3.39Å; I179-V183 PolarHBondContact O-N 2.74Å; K180-V183 PolarHBondContact O-N 3.44Å; V183-A185 VanDerWaalsContact C-N 3.25Å; V183-A185 PolarHBondContact O-N 3.5Å; V183-I186 PolarHBondContact O-N 3.23Å; V183-T187 PolarHBondContact O-N 3Å; V183-T187 PolarHBondContact O-OG1 3.33Å
184	F	91.5	Very high	91.7	Very high	1 Å²	1	41 Å²	41	0%	0.004	21%	0.21	C	C	.	.	H	α-helix	trans	-61	-35.6	175.9	-65.5	-20.2	0	0	0	112.4	P76 V77 A80 L130 K180 S181 T187 V188 F221 T224	P76-F184 HydrophobicContact CB-CD2 3.98Å; P76-F184 HydrophobicContact CB-CE2 3.77Å; P76-F184 WeakPolarHBondContact O-CD2 3.3Å; V77-F184 HydrophobicContact CG2-CE2 3.83Å; V77-F184 HydrophobicContact CG2-CZ 4.16Å; A80-F184 HydrophobicContact CB-CB 3.82Å; A80-F184 HydrophobicContact CB-CD2 3.88Å; A80-F184 HydrophobicContact CB-CG 4.14Å; L130-F184 HydrophobicContact CD2-CB 4.09Å; K180-F184 WeakPolarHBondContact O-CG 3.45Å; K180-F184 PolarHBondContact O-N 2.95Å; S181-F184 PolarHBondContact O-N 2.73Å; F184-T187 PolarHBondContact O-N 2.94Å; F184-V188 WeakPolarHBondContact O-CB 3.46Å; F184-V188 VanDerWaalsContact O-CG1 3.25Å; F184-V188 WeakPolarHBondContact O-CG1 3.39Å; F184-V188 PolarHBondContact O-N 3.47Å; F184-F221 HydrophobicContact CB-CD1 4.09Å; F184-F221 HydrophobicContact CB-CE1 3.89Å; F184-F221 HydrophobicContact CD1-CB 4.48Å; F184-F221 AromaticContact CD1-CD1 3.54Å; F184-F221 HydrophobicContact CD1-CD1 3.54Å; F184-F221 HydrophobicContact CD1-CE1 4.18Å; F184-F221 HydrophobicContact CD1-CG 4.29Å; F184-F221 HydrophobicContact CE1-CB 4.16Å; F184-F221 HydrophobicContact CE1-CD1 4.06Å; F184-F221 HydrophobicContact CE1-CG 4.45Å; F184-F221 AromaticContact CG-CD1 3.84Å; F184-F221 HydrophobicContact CG-CD1 3.84Å; F184-F221 HydrophobicContact CG-CE1 4.17Å; F184-F221 HydrophobicContact CG-CG 4.49Å; F184-F221 HydrophobicContact CZ-CB 4.33Å; F184-T224 HydrophobicContact CE1-CG2 4.11Å
185	A	92.9	Very high	91.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-65.6	-42.5	178.1	0	0	0	0	0	111.4	L130 P131 S181 V182 V183 V188 T189	L130-A185 HydrophobicContact CB-CB 3.73Å; L130-A185 HydrophobicContact CD2-CB 3.79Å; L130-A185 HydrophobicContact CG-CB 4.2Å; P131-A185 HydrophobicContact CG-CB 4.43Å; S181-A185 VanDerWaalsContact O-CB 3.25Å; S181-A185 WeakPolarHBondContact O-CB 3.09Å; S181-A185 PolarHBondContact O-N 3.21Å; V182-A185 WeakPolarHBondContact O-CB 3.43Å; V182-A185 PolarHBondContact O-N 3.17Å; V182-A185 VanDerWaalsContact O-N 3.15Å; V183-A185 VanDerWaalsContact C-N 3.25Å; V183-A185 PolarHBondContact O-N 3.5Å; A185-V188 WeakPolarHBondContact O-CG1 3.46Å; A185-T189 WeakPolarHBondContact O-CB 3.47Å; A185-T189 PolarHBondContact O-N 3.5Å; A185-T189 VanDerWaalsContact O-N 3.12Å; A185-T189 PolarHBondContact O-OG1 2.73Å
186	I	88.7	Confident	91.9	Very high	71 Å²	71	35.8 Å²	35.8	36%	0.364	18%	0.181	S	C	.	.	H	α-helix	trans	-62.3	-50	174.2	-68.2	166	0	0	0	109.5	F123 V127 V182 V183 W190	F123-I186 HydrophobicContact CE2-CG2 4.48Å; F123-I186 HydrophobicContact CZ-CG1 4.43Å; F123-I186 HydrophobicContact CZ-CG2 4.21Å; V127-I186 HydrophobicContact CG1-CG1 4.26Å; V127-I186 HydrophobicContact CG2-CG1 3.8Å; V182-I186 HydrophobicContact CG1-CD1 4.11Å; V182-I186 WeakPolarHBondContact O-CG1 3.5Å; V182-I186 PolarHBondContact O-N 3.49Å; V183-I186 PolarHBondContact O-N 3.23Å; I186-W190 WeakPolarHBondContact O-CB 3.33Å; I186-W190 PolarHBondContact O-N 3.47Å
187	T	88.5	Confident	92	Very high	38 Å²	38	36.2 Å²	36.2	23%	0.233	18%	0.179	C	C	.	.	H	α-helix	trans	-60.8	-54.6	-177.1	-59.4	0	0	0	0	112.4	V183 F184 T189 W190 I191 A220 F221	V183-T187 PolarHBondContact O-N 3Å; V183-T187 PolarHBondContact O-OG1 3.33Å; F184-T187 PolarHBondContact O-N 2.94Å; T187-T189 PolarHBondContact O-N 3.23Å; T187-W190 PolarHBondContact O-N 3.34Å; T187-I191 HydrophobicContact CG2-CD1 3.74Å; T187-I191 WeakPolarHBondContact O-CB 3.33Å; T187-I191 VanDerWaalsContact O-CG1 3.24Å; T187-I191 WeakPolarHBondContact O-CG1 3.49Å; T187-I191 PolarHBondContact O-N 3.01Å; T187-A220 HydrophobicContact CG2-CB 3.54Å; T187-F221 HydrophobicContact CG2-CE1 4.4Å
188	V	93.6	Very high	91.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-61.8	-45.2	-178.1	72.4	0	0	0	0	111.5	F83 A84 L130 F184 A185 W190 I191 S192 F221	F83-V188 HydrophobicContact CD1-CG1 3.68Å; F83-V188 HydrophobicContact CD1-CG2 4.22Å; F83-V188 HydrophobicContact CE1-CG1 3.72Å; A84-V188 HydrophobicContact CB-CG2 3.55Å; L130-V188 HydrophobicContact CD2-CG1 4.29Å; F184-V188 WeakPolarHBondContact O-CB 3.46Å; F184-V188 VanDerWaalsContact O-CG1 3.25Å; F184-V188 WeakPolarHBondContact O-CG1 3.39Å; F184-V188 PolarHBondContact O-N 3.47Å; A185-V188 WeakPolarHBondContact O-CG1 3.46Å; V188-W190 VanDerWaalsContact C-N 3.34Å; V188-W190 PolarHBondContact O-N 3.42Å; V188-I191 PolarHBondContact O-N 2.72Å; V188-S192 VanDerWaalsContact O-CB 3.3Å; V188-S192 WeakPolarHBondContact O-CB 3.42Å; V188-S192 PolarHBondContact O-N 2.79Å; V188-S192 PolarHBondContact O-OG 2.92Å; V188-F221 HydrophobicContact CB-CE1 4.18Å; V188-F221 HydrophobicContact CB-CZ 3.77Å; V188-F221 HydrophobicContact CG2-CZ 4.01Å
189	T	92.7	Very high	91.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-68.5	-41.3	-176.3	-49.5	0	0	0	0	109.5	L91 F123 A185 T187 I191 S192 L193	L91-T189 HydrophobicContact CD1-CG2 4.39Å; F123-T189 HydrophobicContact CB-CG2 4.48Å; F123-T189 HydrophobicContact CD2-CG2 4.08Å; A185-T189 WeakPolarHBondContact O-CB 3.47Å; A185-T189 PolarHBondContact O-N 3.5Å; A185-T189 VanDerWaalsContact O-N 3.12Å; A185-T189 PolarHBondContact O-OG1 2.73Å; T187-T189 PolarHBondContact O-N 3.23Å; T189-I191 PolarHBondContact O-N 3.23Å; T189-S192 PolarHBondContact O-N 2.88Å; T189-L193 HydrophobicContact CG2-CD1 3.8Å; T189-L193 HydrophobicContact CG2-CG 4.22Å; T189-L193 WeakPolarHBondContact O-CB 3.15Å; T189-L193 WeakPolarHBondContact O-CD1 3.21Å; T189-L193 WeakPolarHBondContact O-CG 3.21Å; T189-L193 PolarHBondContact O-N 3.21Å
190	W	91.9	Very high	91.9	Very high	99 Å²	99	37.3 Å²	37.3	38%	0.375	19%	0.185	S	C	.	.	H	α-helix	trans	-59.8	-48.5	175.4	-169.5	-77.8	0	0	0	112.4	L2 L6 F123 I186 T187 V188 S192 L193 F194	L2-W190 HydrophobicContact CB-CE3 4.35Å; L2-W190 HydrophobicContact CB-CH2 3.24Å; L2-W190 HydrophobicContact CB-CZ2 3.58Å; L2-W190 HydrophobicContact CB-CZ3 3.66Å; L2-W190 HydrophobicContact CD1-CD2 3.82Å; L2-W190 HydrophobicContact CD1-CE3 4.1Å; L2-W190 HydrophobicContact CD1-CG 4.41Å; L2-W190 HydrophobicContact CD1-CH2 4.12Å; L2-W190 HydrophobicContact CD1-CZ2 3.78Å; L2-W190 HydrophobicContact CD1-CZ3 4.25Å; L2-W190 HydrophobicContact CG-CH2 4.23Å; L2-W190 HydrophobicContact CG-CZ2 4.32Å; L2-W190 HydrophobicContact CG-CZ3 4.36Å; L6-W190 HydrophobicContact CD1-CZ3 3.94Å; F123-W190 HydrophobicContact CE2-CB 4.48Å; F123-W190 AromaticContact CE2-CE3 3.87Å; F123-W190 HydrophobicContact CE2-CE3 3.87Å; F123-W190 HydrophobicContact CZ-CE3 4.39Å; I186-W190 WeakPolarHBondContact O-CB 3.33Å; I186-W190 PolarHBondContact O-N 3.47Å; T187-W190 PolarHBondContact O-N 3.34Å; V188-W190 VanDerWaalsContact C-N 3.34Å; V188-W190 PolarHBondContact O-N 3.42Å; W190-S192 VanDerWaalsContact C-N 3.34Å; W190-S192 PolarHBondContact O-N 2.9Å; W190-L193 PolarHBondContact O-N 2.81Å; W190-F194 VanDerWaalsContact O-CB 3.25Å; W190-F194 WeakPolarHBondContact O-CB 3.31Å; W190-F194 PolarHBondContact O-N 2.91Å
191	I	92.5	Very high	91.9	Very high	28 Å²	28	39 Å²	39	14%	0.144	20%	0.199	C	C	.	.	H	α-helix	trans	-61.4	-44.5	178.1	-69	168.3	0	0	0	110.7	T187 V188 T189 F194 N195 T213 H216 A220	T187-I191 HydrophobicContact CG2-CD1 3.74Å; T187-I191 WeakPolarHBondContact O-CB 3.33Å; T187-I191 VanDerWaalsContact O-CG1 3.24Å; T187-I191 WeakPolarHBondContact O-CG1 3.49Å; T187-I191 PolarHBondContact O-N 3.01Å; V188-I191 PolarHBondContact O-N 2.72Å; T189-I191 PolarHBondContact O-N 3.23Å; I191-F194 PolarHBondContact O-N 3.33Å; I191-N195 WeakPolarHBondContact CG2-ND2 3.37Å; I191-N195 WeakPolarHBondContact O-CB 3.01Å; I191-N195 PolarHBondContact O-N 2.87Å; I191-N195 PolarHBondContact O-ND2 2.81Å; I191-T213 HydrophobicContact CG2-CG2 4.47Å; I191-H216 HydrophobicContact CD1-CB 4.41Å; I191-H216 HydrophobicContact CG2-CB 3.8Å; I191-A220 HydrophobicContact CD1-CB 4.11Å
192	S	95.1	Very high	92	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62.6	-45.2	-178.8	-54.1	0	0	0	0	111.9	G88 T92 V188 T189 W190 G196 T213	G88-S192 WeakPolarHBondContact CA-OG 3.32Å; T92-S192 WeakPolarHBondContact OG1-CA 3.45Å; T92-S192 PolarHBondContact OG1-O 3.14Å; V188-S192 VanDerWaalsContact O-CB 3.3Å; V188-S192 WeakPolarHBondContact O-CB 3.42Å; V188-S192 PolarHBondContact O-N 2.79Å; V188-S192 PolarHBondContact O-OG 2.92Å; T189-S192 PolarHBondContact O-N 2.88Å; W190-S192 VanDerWaalsContact C-N 3.34Å; W190-S192 PolarHBondContact O-N 2.9Å; S192-G196 PolarHBondContact O-N 2.87Å; S192-T213 WeakPolarHBondContact OG-CG2 3.28Å
193	L	93.7	Very high	92	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-67.8	-41.9	177.8	-64.8	170.5	0	0	0	111.3	I95 I119 R122 F123 T189 W190 G196 Y197	I95-L193 HydrophobicContact CD1-CB 4.44Å; I95-L193 HydrophobicContact CD1-CD2 3.24Å; I95-L193 HydrophobicContact CD1-CG 4.4Å; I119-L193 HydrophobicContact CG2-CB 4.18Å; I119-L193 HydrophobicContact CG2-CD1 3.75Å; I119-L193 HydrophobicContact CG2-CD2 4.19Å; I119-L193 HydrophobicContact CG2-CG 4.25Å; R122-L193 HydrophobicContact CB-CD2 3.8Å; F123-L193 HydrophobicContact CB-CD1 3.67Å; F123-L193 HydrophobicContact CD2-CD1 3.92Å; F123-L193 HydrophobicContact CG-CD1 4.3Å; T189-L193 HydrophobicContact CG2-CD1 3.8Å; T189-L193 HydrophobicContact CG2-CG 4.22Å; T189-L193 WeakPolarHBondContact O-CB 3.15Å; T189-L193 WeakPolarHBondContact O-CD1 3.21Å; T189-L193 WeakPolarHBondContact O-CG 3.21Å; T189-L193 PolarHBondContact O-N 3.21Å; W190-L193 PolarHBondContact O-N 2.81Å; L193-G196 PolarHBondContact O-N 2.82Å; L193-Y197 VanDerWaalsContact O-CB 3.31Å; L193-Y197 WeakPolarHBondContact O-CB 3.4Å; L193-Y197 PolarHBondContact O-N 2.55Å
194	F	93.8	Very high	92.3	Very high	108 Å²	108	44.1 Å²	44.1	47%	0.474	24%	0.24	S	C	.	.	H	α-helix	trans	-63	-51.3	177.9	177.8	-97.2	0	0	0	111.7	W190 I191 G196 Y197 D198	W190-F194 VanDerWaalsContact O-CB 3.25Å; W190-F194 WeakPolarHBondContact O-CB 3.31Å; W190-F194 PolarHBondContact O-N 2.91Å; I191-F194 PolarHBondContact O-N 3.33Å; F194-G196 VanDerWaalsContact C-N 3.26Å; F194-G196 PolarHBondContact O-N 3.04Å; F194-Y197 PolarHBondContact O-N 3.09Å; F194-D198 HydrophobicContact CE1-CB 4.43Å; F194-D198 HydrophobicContact CZ-CB 4.39Å; F194-D198 WeakPolarHBondContact O-CB 3.38Å; F194-D198 PolarHBondContact O-N 3.48Å
195	N	94	Very high	92.4	Very high	16 Å²	16	44.3 Å²	44.3	9%	0.086	24%	0.243	C	C	.	.	H	α-helix	trans	-65.7	-31.1	179.2	-73	-29	0	0	0	112.4	T92 I191 A199 A209 T213	T92-N195 HydrophobicContact CG2-CB 4.19Å; I191-N195 WeakPolarHBondContact CG2-ND2 3.37Å; I191-N195 WeakPolarHBondContact O-CB 3.01Å; I191-N195 PolarHBondContact O-N 2.87Å; I191-N195 PolarHBondContact O-ND2 2.81Å; N195-A199 WeakPolarHBondContact O-CB 3.26Å; N195-A199 PolarHBondContact O-N 3.47Å; N195-A199 VanDerWaalsContact O-N 3.08Å; N195-A209 WeakPolarHBondContact O-CB 3.17Å; N195-T213 VanDerWaalsContact CB-OG1 3.23Å; N195-T213 WeakPolarHBondContact CB-OG1 3.32Å; N195-T213 VanDerWaalsContact ND2-CA 3.34Å; N195-T213 WeakPolarHBondContact ND2-CA 3.43Å; N195-T213 PolarHBondContact ND2-N 2.87Å; N195-T213 PolarHBondContact ND2-OG1 3.09Å
196	G	94.1	Very high	92.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-68.7	-44.4	173.8	0	0	0	0	0	111.6	I95 G96 S192 L193 F194 A199	I95-G196 VanDerWaalsContact CG2-C 3.45Å; G96-G196 WeakPolarHBondContact CA-O 3.27Å; G96-G196 PolarHBondContact N-O 2.84Å; S192-G196 PolarHBondContact O-N 2.87Å; L193-G196 PolarHBondContact O-N 2.82Å; F194-G196 VanDerWaalsContact C-N 3.26Å; F194-G196 PolarHBondContact O-N 3.04Å; G196-A199 WeakPolarHBondContact O-CB 3.28Å; G196-A199 PolarHBondContact O-N 3.26Å
197	Y	92	Very high	92.7	Very high	68 Å²	68	45.2 Å²	45.2	27%	0.267	25%	0.253	S	S	.	.	H	α-helix	trans	-68.9	-36.3	178.1	-164.2	-94	0	0	0	111.9	R99 L104 L115 I119 L193 F194 A199	R99-Y197 WeakPolarHBondContact CD-O 3.47Å; R99-Y197 PolarHBondContact NH1-O 3.49Å; L104-Y197 HydrophobicContact CD1-CD2 3.94Å; L104-Y197 HydrophobicContact CD1-CE2 3.96Å; L115-Y197 HydrophobicContact CD2-CE2 4.02Å; I119-Y197 HydrophobicContact CD1-CD2 3.61Å; I119-Y197 HydrophobicContact CD1-CE2 4.07Å; I119-Y197 HydrophobicContact CD1-CG 4.32Å; L193-Y197 VanDerWaalsContact O-CB 3.31Å; L193-Y197 WeakPolarHBondContact O-CB 3.4Å; L193-Y197 PolarHBondContact O-N 2.55Å; F194-Y197 PolarHBondContact O-N 3.09Å; Y197-A199 VanDerWaalsContact C-N 3.34Å
198	D	91.4	Very high	93	Very high	96 Å²	96	51.8 Å²	51.8	51%	0.513	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	6.1	179.9	-158	35	0	0	0	113.8	R99 F194 I200	R99-D198 PolarHBondContact NH1-O 2.93Å; R99-D198 IonicContact NH1-OD1 2.76Å; F194-D198 HydrophobicContact CE1-CB 4.43Å; F194-D198 HydrophobicContact CZ-CB 4.39Å; F194-D198 WeakPolarHBondContact O-CB 3.38Å; F194-D198 PolarHBondContact O-N 3.48Å; D198-I200 PolarHBondContact O-N 2.96Å
199	A	91.5	Very high	93.1	Very high	5 Å²	5	52.1 Å²	52.1	4%	0.041	28%	0.277	C	S	.	.			trans	-64	135	179.4	0	0	0	0	0	111.9	R99 N195 G196 Y197 A209	R99-A199 WeakPolarHBondContact CD-O 3.48Å; R99-A199 PolarHBondContact NE-O 3.33Å; R99-A199 PolarHBondContact NH1-O 2.82Å; R99-A199 VanDerWaalsContact NH1-O 3.14Å; N195-A199 WeakPolarHBondContact O-CB 3.26Å; N195-A199 PolarHBondContact O-N 3.47Å; N195-A199 VanDerWaalsContact O-N 3.08Å; G196-A199 WeakPolarHBondContact O-CB 3.28Å; G196-A199 PolarHBondContact O-N 3.26Å; Y197-A199 VanDerWaalsContact C-N 3.34Å; A199-A209 HydrophobicContact CB-CB 3.85Å
200	I	91.5	Very high	93.2	Very high	106 Å²	106	53.4 Å²	53.4	54%	0.544	28%	0.284	S	S	.	.			trans	-60.7	129.5	168.6	-58.6	167.6	0	0	0	107.6	D198 T202	D198-I200 PolarHBondContact O-N 2.96Å; I200-T202 HydrophobicContact CG2-CG2 4.28Å; I200-T202 PolarHBondContact O-N 3.12Å
201	P	90.7	Very high	93.2	Very high	65 Å²	65	52.5 Å²	52.5	42%	0.422	29%	0.29	S	S	.	.	S	Bend	trans	-74.1	58.2	-172	31.2	-37	0	0	0	112.8	A100	A100-P201 HydrophobicContact CB-CB 4.16Å
202	T	93.1	Very high	93.3	Very high	67 Å²	67	58.3 Å²	58.3	41%	0.411	31%	0.31	S	S	.	.	S	Bend	trans	-139.2	154.6	177.2	58.7	0	0	0	0	108.9	I200 A204 G205 I206	I200-T202 HydrophobicContact CG2-CG2 4.28Å; I200-T202 PolarHBondContact O-N 3.12Å; T202-A204 VanDerWaalsContact C-N 3.28Å; T202-A204 PolarHBondContact O-N 3.49Å; T202-G205 WeakPolarHBondContact O-CA 3.43Å; T202-G205 PolarHBondContact O-N 3.33Å; T202-G205 PolarHBondContact OG1-N 2.84Å; T202-I206 WeakPolarHBondContact O-CG1 3.48Å; T202-I206 PolarHBondContact O-N 3.44Å
203	S	91.9	Very high	93.2	Very high	105 Å²	105	58.3 Å²	58.3	73%	0.734	31%	0.31	S	S	*	.	H	α-helix	trans	-55.4	-42.8	176.8	53.8	0	0	0	0	112.6	I206 S207	S203-I206 PolarHBondContact O-N 2.9Å; S203-S207 PolarHBondContact O-N 3Å; S203-S207 VanDerWaalsContact O-N 3.08Å
204	A	93	Very high	93.2	Very high	52 Å²	52	60.6 Å²	60.6	43%	0.43	32%	0.324	S	S	.	.	H	α-helix	trans	-66.2	-37.4	175.1	0	0	0	0	0	112.6	T202 S207 R208	T202-A204 VanDerWaalsContact C-N 3.28Å; T202-A204 PolarHBondContact O-N 3.49Å; A204-S207 PolarHBondContact O-N 3.29Å; A204-R208 WeakPolarHBondContact O-CG 3.3Å; A204-R208 PolarHBondContact O-N 3.45Å
205	G	93.3	Very high	93.1	Very high	5 Å²	5	58.7 Å²	58.7	5%	0.052	32%	0.321	C	S	.	.	H	α-helix	trans	-61.9	-44.9	174.6	0	0	0	0	0	112.5	T202 R208 A209	T202-G205 WeakPolarHBondContact O-CA 3.43Å; T202-G205 PolarHBondContact O-N 3.33Å; T202-G205 PolarHBondContact OG1-N 2.84Å; G205-R208 PolarHBondContact O-N 3.43Å; G205-A209 WeakPolarHBondContact O-CB 3.25Å; G205-A209 PolarHBondContact O-N 3.06Å
206	I	94.4	Very high	92.8	Very high	24 Å²	24	61.4 Å²	61.4	12%	0.123	33%	0.333	C	S	.	.	H	α-helix	trans	-61.6	-48.2	176	-62.1	168.2	0	0	0	110.2	A93 A100 T202 S203 R208 A209 T210	A93-I206 HydrophobicContact CB-CG2 4.31Å; A100-I206 HydrophobicContact CB-CD1 4.12Å; T202-I206 WeakPolarHBondContact O-CG1 3.48Å; T202-I206 PolarHBondContact O-N 3.44Å; S203-I206 PolarHBondContact O-N 2.9Å; I206-R208 PolarHBondContact O-N 3.07Å; I206-A209 WeakPolarHBondContact O-CB 3.24Å; I206-A209 PolarHBondContact O-N 2.79Å; I206-A209 VanDerWaalsContact O-N 3.14Å; I206-T210 WeakPolarHBondContact O-CG2 3.44Å; I206-T210 PolarHBondContact O-N 2.77Å
207	S	94	Very high	92.6	Very high	67 Å²	67	61.4 Å²	61.4	47%	0.469	33%	0.333	S	S	.	.	H	α-helix	trans	-57.9	-46.5	177.1	176.7	0	0	0	0	112.3	S203 A204 A209 T210 T211	S203-S207 PolarHBondContact O-N 3Å; S203-S207 VanDerWaalsContact O-N 3.08Å; A204-S207 PolarHBondContact O-N 3.29Å; S207-A209 VanDerWaalsContact C-N 3.33Å; S207-A209 PolarHBondContact O-N 3.39Å; S207-T210 PolarHBondContact O-N 3.42Å; S207-T210 PolarHBondContact O-OG1 3.05Å; S207-T211 PolarHBondContact O-N 2.81Å; S207-T211 PolarHBondContact O-OG1 2.83Å; S207-T211 VanDerWaalsContact O-OG1 3.06Å
208	R	95.6	Very high	92.4	Very high	175 Å²	175	59.4 Å²	59.4	66%	0.66	33%	0.329	S	S	*	.	H	α-helix	trans	-61.6	-40.3	175.3	-73.2	176.3	-176.2	171.4	2.1	112.1	A204 G205 I206 T211 R212	A204-R208 WeakPolarHBondContact O-CG 3.3Å; A204-R208 PolarHBondContact O-N 3.45Å; G205-R208 PolarHBondContact O-N 3.43Å; I206-R208 PolarHBondContact O-N 3.07Å; R208-T211 PolarHBondContact O-N 3.31Å; R208-R212 WeakPolarHBondContact O-CB 3.31Å; R208-R212 VanDerWaalsContact O-CG 3.29Å; R208-R212 WeakPolarHBondContact O-CG 3.37Å; R208-R212 PolarHBondContact O-N 3.44Å
209	A	94.7	Very high	92	Very high	7 Å²	7	58.9 Å²	58.9	6%	0.058	33%	0.326	C	S	.	.	H	α-helix	trans	-64	-41.7	177	0	0	0	0	0	112.1	T92 N195 A199 G205 I206 S207 T211 R212 T213	T92-A209 HydrophobicContact CG2-CB 3.76Å; N195-A209 WeakPolarHBondContact O-CB 3.17Å; A199-A209 HydrophobicContact CB-CB 3.85Å; G205-A209 WeakPolarHBondContact O-CB 3.25Å; G205-A209 PolarHBondContact O-N 3.06Å; I206-A209 WeakPolarHBondContact O-CB 3.24Å; I206-A209 PolarHBondContact O-N 2.79Å; I206-A209 VanDerWaalsContact O-N 3.14Å; S207-A209 VanDerWaalsContact C-N 3.33Å; S207-A209 PolarHBondContact O-N 3.39Å; A209-T211 VanDerWaalsContact C-N 3.32Å; A209-T211 PolarHBondContact O-N 3.49Å; A209-R212 PolarHBondContact O-N 3.07Å; A209-T213 WeakPolarHBondContact O-CB 3.42Å; A209-T213 PolarHBondContact O-N 3.26Å; A209-T213 PolarHBondContact O-OG1 2.94Å
210	T	94.3	Very high	91.6	Very high	27 Å²	27	59.6 Å²	59.6	17%	0.166	33%	0.332	C	S	.	.	H	α-helix	trans	-62.2	-40.8	175.3	62.5	0	0	0	0	111.7	S89 T92 A93 I206 S207 T213 V214	S89-T210 WeakPolarHBondContact O-CG2 3.37Å; T92-T210 HydrophobicContact CG2-CG2 4.07Å; A93-T210 HydrophobicContact CB-CG2 3.83Å; I206-T210 WeakPolarHBondContact O-CG2 3.44Å; I206-T210 PolarHBondContact O-N 2.77Å; S207-T210 PolarHBondContact O-N 3.42Å; S207-T210 PolarHBondContact O-OG1 3.05Å; T210-T213 WeakPolarHBondContact O-CB 3.43Å; T210-T213 PolarHBondContact O-N 3.39Å; T210-V214 PolarHBondContact O-N 3.12Å
211	T	93.8	Very high	91.2	Very high	81 Å²	81	54.8 Å²	54.8	50%	0.497	31%	0.307	S	S	.	.	H	α-helix	trans	-66.9	-47.3	177	-53.1	0	0	0	0	111.3	S207 R208 A209 T213 V214 V215	S207-T211 PolarHBondContact O-N 2.81Å; S207-T211 PolarHBondContact O-OG1 2.83Å; S207-T211 VanDerWaalsContact O-OG1 3.06Å; R208-T211 PolarHBondContact O-N 3.31Å; A209-T211 VanDerWaalsContact C-N 3.32Å; A209-T211 PolarHBondContact O-N 3.49Å; T211-T213 PolarHBondContact O-N 2.84Å; T211-V214 PolarHBondContact O-N 2.73Å; T211-V215 WeakPolarHBondContact O-CG2 3.18Å; T211-V215 PolarHBondContact O-N 3.5Å
212	R	93.4	Very high	90.3	Very high	149 Å²	149	57.3 Å²	57.3	56%	0.562	31%	0.314	S	S	*	.	H	α-helix	trans	-58.5	-34.4	175.5	-74	179	96.1	175.3	11.3	111.8	R208 A209 V215 H216	R208-R212 WeakPolarHBondContact O-CB 3.31Å; R208-R212 VanDerWaalsContact O-CG 3.29Å; R208-R212 WeakPolarHBondContact O-CG 3.37Å; R208-R212 PolarHBondContact O-N 3.44Å; A209-R212 PolarHBondContact O-N 3.07Å; R212-V215 PolarHBondContact O-N 3.38Å; R212-H216 VanDerWaalsContact O-CB 3.25Å; R212-H216 WeakPolarHBondContact O-CB 3.31Å; R212-H216 PolarHBondContact O-CD2 3.44Å; R212-H216 VanDerWaalsContact O-CG 3.25Å; R212-H216 PolarHBondContact O-N 3.33Å
213	T	94.2	Very high	88.9	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-62.3	-47.9	176	-64.8	0	0	0	0	112	T92 I191 S192 N195 A209 T210 T211 S217	T92-T213 PolarHBondContact OG1-OG1 3.47Å; I191-T213 HydrophobicContact CG2-CG2 4.47Å; S192-T213 WeakPolarHBondContact OG-CG2 3.28Å; N195-T213 VanDerWaalsContact CB-OG1 3.23Å; N195-T213 WeakPolarHBondContact CB-OG1 3.32Å; N195-T213 VanDerWaalsContact ND2-CA 3.34Å; N195-T213 WeakPolarHBondContact ND2-CA 3.43Å; N195-T213 PolarHBondContact ND2-N 2.87Å; N195-T213 PolarHBondContact ND2-OG1 3.09Å; A209-T213 WeakPolarHBondContact O-CB 3.42Å; A209-T213 PolarHBondContact O-N 3.26Å; A209-T213 PolarHBondContact O-OG1 2.94Å; T210-T213 WeakPolarHBondContact O-CB 3.43Å; T210-T213 PolarHBondContact O-N 3.39Å; T211-T213 PolarHBondContact O-N 2.84Å; T213-S217 WeakPolarHBondContact O-CB 3.4Å; T213-S217 PolarHBondContact O-N 3.1Å; T213-S217 PolarHBondContact O-OG 3.28Å
214	V	93.5	Very high	87.5	Confident	49 Å²	49	59.2 Å²	59.2	30%	0.297	31%	0.312	S	S	.	.	H	α-helix	trans	-63.1	-45.4	177.4	-178.8	0	0	0	0	110.6	S89 T210 T211 S218	S89-V214 WeakPolarHBondContact OG-CG2 3.35Å; T210-V214 PolarHBondContact O-N 3.12Å; T211-V214 PolarHBondContact O-N 2.73Å; V214-S218 WeakPolarHBondContact O-CB 3.22Å; V214-S218 PolarHBondContact O-N 3.28Å; V214-S218 PolarHBondContact O-OG 2.81Å
215	V	89.9	Confident	86	Confident	68 Å²	68	58.2 Å²	58.2	41%	0.412	30%	0.298	S	S	.	.	H	α-helix	trans	-65.9	-48.6	-178.8	175.1	0	0	0	0	112.3	T211 R212 S217 S218 L219	T211-V215 WeakPolarHBondContact O-CG2 3.18Å; T211-V215 PolarHBondContact O-N 3.5Å; R212-V215 PolarHBondContact O-N 3.38Å; V215-S217 VanDerWaalsContact C-N 3.33Å; V215-S217 PolarHBondContact O-N 3.32Å; V215-S218 PolarHBondContact O-N 2.76Å; V215-S218 PolarHBondContact O-OG 3.36Å; V215-L219 HydrophobicContact CG1-CD1 3.92Å; V215-L219 HydrophobicContact CG1-CG 4.5Å; V215-L219 WeakPolarHBondContact O-CB 3.46Å; V215-L219 VanDerWaalsContact O-CG 3.24Å; V215-L219 WeakPolarHBondContact O-CG 3.39Å; V215-L219 PolarHBondContact O-N 2.71Å
216	H	88.5	Confident	84.1	Confident	74 Å²	74	65.5 Å²	65.5	34%	0.343	33%	0.328	S	S	.	.	H	α-helix	trans	-67.1	-36.8	179.7	-68.4	-46.8	0	0	0	111.6	I191 R212 A220	I191-H216 HydrophobicContact CD1-CB 4.41Å; I191-H216 HydrophobicContact CG2-CB 3.8Å; R212-H216 VanDerWaalsContact O-CB 3.25Å; R212-H216 WeakPolarHBondContact O-CB 3.31Å; R212-H216 PolarHBondContact O-CD2 3.44Å; R212-H216 VanDerWaalsContact O-CG 3.25Å; R212-H216 PolarHBondContact O-N 3.33Å; H216-A220 WeakPolarHBondContact O-CB 3.48Å; H216-A220 PolarHBondContact O-N 3.2Å
217	S	90.5	Very high	82.4	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-66.2	-46.5	175.9	-57	0	0	0	0	111.5	T213 V215 L219 A220 F221	T213-S217 WeakPolarHBondContact O-CB 3.4Å; T213-S217 PolarHBondContact O-N 3.1Å; T213-S217 PolarHBondContact O-OG 3.28Å; V215-S217 VanDerWaalsContact C-N 3.33Å; V215-S217 PolarHBondContact O-N 3.32Å; S217-L219 PolarHBondContact O-N 2.83Å; S217-A220 PolarHBondContact O-N 3.33Å; S217-F221 WeakPolarHBondContact O-CD1 3.43Å; S217-F221 VanDerWaalsContact O-CD2 3.23Å; S217-F221 WeakPolarHBondContact O-CD2 3.34Å; S217-F221 WeakPolarHBondContact O-CE2 3.26Å; S217-F221 WeakPolarHBondContact O-CG 3.26Å; S217-F221 PolarHBondContact O-N 3.44Å; S217-F221 VanDerWaalsContact O-N 3.11Å
218	S	86.9	Confident	80.6	Confident	25 Å²	25	70.6 Å²	70.6	18%	0.175	35%	0.348	C	S	.	.	H	α-helix	trans	-62.8	-41.7	179.2	67.1	0	0	0	0	112.1	L81 V214 V215 F221 M222	L81-S218 VanDerWaalsContact CD2-CB 3.5Å; V214-S218 WeakPolarHBondContact O-CB 3.22Å; V214-S218 PolarHBondContact O-N 3.28Å; V214-S218 PolarHBondContact O-OG 2.81Å; V215-S218 PolarHBondContact O-N 2.76Å; V215-S218 PolarHBondContact O-OG 3.36Å; S218-F221 PolarHBondContact O-N 3.16Å; S218-M222 WeakPolarHBondContact O-CG 3.12Å; S218-M222 PolarHBondContact O-N 3.39Å
219	L	84.1	Confident	79	Confident	85 Å²	85	65.8 Å²	65.8	45%	0.445	34%	0.335	S	S	.	.	H	α-helix	trans	-63.3	-39.8	174.6	-70.5	172.3	0	0	0	112.4	V215 S217 F221 M222 Q223	V215-L219 HydrophobicContact CG1-CD1 3.92Å; V215-L219 HydrophobicContact CG1-CG 4.5Å; V215-L219 WeakPolarHBondContact O-CB 3.46Å; V215-L219 VanDerWaalsContact O-CG 3.24Å; V215-L219 WeakPolarHBondContact O-CG 3.39Å; V215-L219 PolarHBondContact O-N 2.71Å; S217-L219 PolarHBondContact O-N 2.83Å; L219-F221 PolarHBondContact O-N 3.49Å; L219-M222 PolarHBondContact O-N 2.95Å; L219-Q223 WeakPolarHBondContact O-CG 3.3Å; L219-Q223 PolarHBondContact O-N 3.02Å; L219-Q223 VanDerWaalsContact O-N 3.08Å
220	A	81.9	Confident	77.5	Confident	20 Å²	20	73.4 Å²	73.4	17%	0.165	36%	0.362	C	S	.	.	H	α-helix	trans	-66.2	-37.5	179.8	0	0	0	0	0	112.5	T187 I191 H216 S217 Q223 T224	T187-A220 HydrophobicContact CG2-CB 3.54Å; I191-A220 HydrophobicContact CD1-CB 4.11Å; H216-A220 WeakPolarHBondContact O-CB 3.48Å; H216-A220 PolarHBondContact O-N 3.2Å; S217-A220 PolarHBondContact O-N 3.33Å; A220-Q223 PolarHBondContact O-N 3.18Å; A220-T224 PolarHBondContact O-N 2.56Å; A220-T224 PolarHBondContact O-OG1 2.86Å; A220-T224 VanDerWaalsContact O-OG1 3.08Å
221	F	83.7	Confident	75.9	Confident	5 Å²	5	75.7 Å²	75.7	2%	0.022	38%	0.376	C	S	.	.	H	α-helix	trans	-66	-40.7	175.5	-51	-31.7	0	0	0	111.4	A80 L81 A84 F184 T187 V188 S217 S218 L219 Q223 T224	A80-F221 HydrophobicContact CB-CD2 3.99Å; A80-F221 HydrophobicContact CB-CE1 4.16Å; A80-F221 HydrophobicContact CB-CE2 3.59Å; A80-F221 HydrophobicContact CB-CG 4.44Å; A80-F221 HydrophobicContact CB-CZ 3.68Å; L81-F221 HydrophobicContact CD2-CD2 4Å; L81-F221 HydrophobicContact CD2-CE2 4.3Å; L81-F221 HydrophobicContact CG-CD2 4.18Å; L81-F221 HydrophobicContact CG-CE2 4.5Å; A84-F221 HydrophobicContact CB-CE2 4.43Å; F184-F221 HydrophobicContact CB-CD1 4.09Å; F184-F221 HydrophobicContact CB-CE1 3.89Å; F184-F221 HydrophobicContact CD1-CB 4.48Å; F184-F221 AromaticContact CD1-CD1 3.54Å; F184-F221 HydrophobicContact CD1-CD1 3.54Å; F184-F221 HydrophobicContact CD1-CE1 4.18Å; F184-F221 HydrophobicContact CD1-CG 4.29Å; F184-F221 HydrophobicContact CE1-CB 4.16Å; F184-F221 HydrophobicContact CE1-CD1 4.06Å; F184-F221 HydrophobicContact CE1-CG 4.45Å; F184-F221 AromaticContact CG-CD1 3.84Å; F184-F221 HydrophobicContact CG-CD1 3.84Å; F184-F221 HydrophobicContact CG-CE1 4.17Å; F184-F221 HydrophobicContact CG-CG 4.49Å; F184-F221 HydrophobicContact CZ-CB 4.33Å; T187-F221 HydrophobicContact CG2-CE1 4.4Å; V188-F221 HydrophobicContact CB-CE1 4.18Å; V188-F221 HydrophobicContact CB-CZ 3.77Å; V188-F221 HydrophobicContact CG2-CZ 4.01Å; S217-F221 WeakPolarHBondContact O-CD1 3.43Å; S217-F221 VanDerWaalsContact O-CD2 3.23Å; S217-F221 WeakPolarHBondContact O-CD2 3.34Å; S217-F221 WeakPolarHBondContact O-CE2 3.26Å; S217-F221 WeakPolarHBondContact O-CG 3.26Å; S217-F221 PolarHBondContact O-N 3.44Å; S217-F221 VanDerWaalsContact O-N 3.11Å; S218-F221 PolarHBondContact O-N 3.16Å; L219-F221 PolarHBondContact O-N 3.49Å; F221-Q223 VanDerWaalsContact C-N 3.33Å; F221-Q223 PolarHBondContact O-N 3.34Å; F221-T224 PolarHBondContact O-N 2.92Å
222	M	70.7	Confident	74.4	Confident	118 Å²	118	73.5 Å²	73.5	58%	0.581	37%	0.37	S	S	*	.	H	α-helix	trans	-61.6	-39.4	176.5	-69.3	176.3	-175.1	0	0	112	S218 L219 T224 I229	S218-M222 WeakPolarHBondContact O-CG 3.12Å; S218-M222 PolarHBondContact O-N 3.39Å; L219-M222 PolarHBondContact O-N 2.95Å; M222-T224 VanDerWaalsContact C-N 3.29Å; M222-T224 PolarHBondContact O-N 3.36Å; M222-I229 WeakPolarHBondContact O-CD1 3.5Å
223	Q	64.5	Low	73.5	Confident	141 Å²	141	70.5 Å²	70.5	66%	0.659	36%	0.364	S	S	*	.	H	α-helix	trans	-69.5	-21.5	-179.4	-73.5	178.5	1.1	0	0	114.5	L219 A220 F221 K225	L219-Q223 WeakPolarHBondContact O-CG 3.3Å; L219-Q223 PolarHBondContact O-N 3.02Å; L219-Q223 VanDerWaalsContact O-N 3.08Å; A220-Q223 PolarHBondContact O-N 3.18Å; F221-Q223 VanDerWaalsContact C-N 3.33Å; F221-Q223 PolarHBondContact O-N 3.34Å; Q223-K225 PolarHBondContact O-N 2.82Å; Q223-K225 VanDerWaalsContact O-N 3.09Å
224	T	62.7	Low	72.6	Confident	72 Å²	72	77.5 Å²	77.5	44%	0.442	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-17.3	-176	-56.1	0	0	0	0	112.2	F184 A220 F221 M222	F184-T224 HydrophobicContact CE1-CG2 4.11Å; A220-T224 PolarHBondContact O-N 2.56Å; A220-T224 PolarHBondContact O-OG1 2.86Å; A220-T224 VanDerWaalsContact O-OG1 3.08Å; F221-T224 PolarHBondContact O-N 2.92Å; M222-T224 VanDerWaalsContact C-N 3.29Å; M222-T224 PolarHBondContact O-N 3.36Å
225	K	60.6	Low	71.4	Confident	30 Å²	30	80 Å²	80	13%	0.13	41%	0.405	C	S	.	.			trans	-111.4	71.6	-179.3	-58.6	-73.2	-158.8	99.7	0	110.3	E73 Q223 N227 E228 I229	E73-K225 IonicContact OE1-NZ 3.85Å; E73-K225 PolarHBondContact OE1-NZ 3.37Å; E73-K225 IonicContact OE2-NZ 2.87Å; E73-K225 PolarHBondContact OE2-NZ 3.36Å; Q223-K225 PolarHBondContact O-N 2.82Å; Q223-K225 VanDerWaalsContact O-N 3.09Å; K225-N227 PolarHBondContact O-N 2.99Å; K225-N227 VanDerWaalsContact O-N 3.08Å; K225-E228 HydrophobicContact CB-CB 3.63Å; K225-E228 HydrophobicContact CB-CG 4.05Å; K225-E228 WeakPolarHBondContact CB-OE2 3.49Å; K225-E228 VanDerWaalsContact CD-OE2 3.29Å; K225-E228 WeakPolarHBondContact CD-OE2 3.13Å; K225-E228 WeakPolarHBondContact CE-OE2 3.01Å; K225-E228 HydrophobicContact CG-CB 4.44Å; K225-E228 WeakPolarHBondContact CG-OE2 3.28Å; K225-E228 IonicContact NZ-OE1 3.45Å; K225-E228 PolarHBondContact NZ-OE1 3.5Å; K225-E228 IonicContact NZ-OE2 2.55Å; K225-E228 PolarHBondContact NZ-OE2 3.34Å; K225-E228 PolarHBondContact O-N 2.84Å; K225-I229 PolarHBondContact O-N 2.98Å
226	K	55.3	Low	70.8	Confident	158 Å²	158	81.7 Å²	81.7	69%	0.687	41%	0.412	S	S	*	.	H	α-helix	trans	-48.5	-38.4	172.9	-167.8	176.1	179.7	-179.3	0	111.2	W230	K226-W230 PolarHBondContact O-N 3.43Å
227	N	57.1	Low	70.4	Confident	128 Å²	128	80.7 Å²	80.7	68%	0.684	42%	0.416	S	S	*	.	H	α-helix	trans	-78.1	-26.6	178.1	-64.6	2.1	0	0	0	113.7	K225 W230 V231	K225-N227 PolarHBondContact O-N 2.99Å; K225-N227 VanDerWaalsContact O-N 3.08Å; N227-W230 WeakPolarHBondContact O-CB 3.49Å; N227-W230 PolarHBondContact O-N 2.99Å; N227-V231 WeakPolarHBondContact O-CG2 3.46Å; N227-V231 PolarHBondContact O-N 2.78Å
228	E	57.1	Low	69.5	Low	71 Å²	71	82.6 Å²	82.6	33%	0.332	43%	0.432	S	S	.	.	H	α-helix	trans	-93.3	-17.8	178.5	-63	159.5	-163.6	0	0	113.9	E73 K225 V231 G232	E73-E228 VanDerWaalsContact OE2-OE2 3.07Å; K225-E228 HydrophobicContact CB-CB 3.63Å; K225-E228 HydrophobicContact CB-CG 4.05Å; K225-E228 WeakPolarHBondContact CB-OE2 3.49Å; K225-E228 VanDerWaalsContact CD-OE2 3.29Å; K225-E228 WeakPolarHBondContact CD-OE2 3.13Å; K225-E228 WeakPolarHBondContact CE-OE2 3.01Å; K225-E228 HydrophobicContact CG-CB 4.44Å; K225-E228 WeakPolarHBondContact CG-OE2 3.28Å; K225-E228 IonicContact NZ-OE1 3.45Å; K225-E228 PolarHBondContact NZ-OE1 3.5Å; K225-E228 IonicContact NZ-OE2 2.55Å; K225-E228 PolarHBondContact NZ-OE2 3.34Å; K225-E228 PolarHBondContact O-N 2.84Å; E228-V231 CarbonylContact O-C 3.56Å; E228-V231 PolarHBondContact O-N 2.82Å; E228-G232 WeakPolarHBondContact O-CA 3.47Å; E228-G232 PolarHBondContact O-N 2.9Å
229	I	61.9	Low	69.2	Low	74 Å²	74	87.1 Å²	87.1	38%	0.379	45%	0.454	S	S	.	.	H	α-helix	trans	-61.7	-42.3	158.8	-67.9	169.7	0	0	0	108	M222 K225 G232 I233	M222-I229 WeakPolarHBondContact O-CD1 3.5Å; K225-I229 PolarHBondContact O-N 2.98Å; I229-G232 PolarHBondContact O-N 3.03Å; I229-I233 HydrophobicContact CG2-CD1 3.67Å; I229-I233 HydrophobicContact CG2-CG1 4.27Å; I229-I233 VanDerWaalsContact O-CB 3.25Å; I229-I233 WeakPolarHBondContact O-CB 3.04Å; I229-I233 WeakPolarHBondContact O-CG1 3.18Å; I229-I233 PolarHBondContact O-N 2.9Å
230	W	62.9	Low	69.2	Low	166 Å²	166	87.9 Å²	87.9	63%	0.629	46%	0.458	S	S	*	.	H	α-helix	trans	-66.2	-41.1	172.8	-77	114.8	0	0	0	112.7	K226 N227 G232 F234	K226-W230 PolarHBondContact O-N 3.43Å; N227-W230 WeakPolarHBondContact O-CB 3.49Å; N227-W230 PolarHBondContact O-N 2.99Å; W230-G232 VanDerWaalsContact C-N 3.32Å; W230-G232 PolarHBondContact O-N 2.91Å; W230-F234 WeakPolarHBondContact O-CB 3.36Å; W230-F234 PolarHBondContact O-N 2.96Å
231	V	60.5	Low	69.1	Low	75 Å²	75	89.3 Å²	89.3	46%	0.455	47%	0.469	S	S	.	.	H	α-helix	trans	-67	-33.9	174.5	-179.2	0	0	0	0	111.4	N227 E228 F234 L235	N227-V231 WeakPolarHBondContact O-CG2 3.46Å; N227-V231 PolarHBondContact O-N 2.78Å; E228-V231 CarbonylContact O-C 3.56Å; E228-V231 PolarHBondContact O-N 2.82Å; V231-F234 CarbonylContact O-C 3.52Å; V231-F234 PolarHBondContact O-N 2.74Å; V231-L235 HydrophobicContact CG1-CD1 4.07Å; V231-L235 WeakPolarHBondContact O-CB 3.46Å; V231-L235 PolarHBondContact O-N 3.21Å
232	G	61.9	Low	68.8	Low	35 Å²	35	91.4 Å²	91.4	36%	0.361	49%	0.488	S	S	.	.	H	α-helix	trans	-76.1	-39	178.7	0	0	0	0	0	112.1	E228 I229 W230 F234 L235 L236	E228-G232 WeakPolarHBondContact O-CA 3.47Å; E228-G232 PolarHBondContact O-N 2.9Å; I229-G232 PolarHBondContact O-N 3.03Å; W230-G232 VanDerWaalsContact C-N 3.32Å; W230-G232 PolarHBondContact O-N 2.91Å; G232-F234 VanDerWaalsContact C-N 3.32Å; G232-L235 PolarHBondContact O-N 2.84Å; G232-L236 WeakPolarHBondContact O-CB 3.29Å; G232-L236 PolarHBondContact O-N 3.38Å
233	I	75.2	Confident	69.3	Low	86 Å²	86	90.3 Å²	90.3	44%	0.441	48%	0.484	S	S	.	.	H	α-helix	trans	-64.3	-40.6	167.3	-71.4	168.1	0	0	0	109.5	I229 L236 A237	I229-I233 HydrophobicContact CG2-CD1 3.67Å; I229-I233 HydrophobicContact CG2-CG1 4.27Å; I229-I233 VanDerWaalsContact O-CB 3.25Å; I229-I233 WeakPolarHBondContact O-CB 3.04Å; I229-I233 WeakPolarHBondContact O-CG1 3.18Å; I229-I233 PolarHBondContact O-N 2.9Å; I233-L236 PolarHBondContact O-N 3.15Å; I233-A237 WeakPolarHBondContact O-CB 3.35Å; I233-A237 PolarHBondContact O-N 2.82Å
234	F	74.4	Confident	70.1	Confident	148 Å²	148	90.2 Å²	90.2	65%	0.649	48%	0.481	S	S	*	.	H	α-helix	trans	-68.2	-41.7	176.6	178.4	-97.2	0	0	0	112	W230 V231 G232 A237 A238	W230-F234 WeakPolarHBondContact O-CB 3.36Å; W230-F234 PolarHBondContact O-N 2.96Å; V231-F234 CarbonylContact O-C 3.52Å; V231-F234 PolarHBondContact O-N 2.74Å; G232-F234 VanDerWaalsContact C-N 3.32Å; F234-A237 CarbonylContact O-C 3.52Å; F234-A237 PolarHBondContact O-N 2.95Å; F234-A238 WeakPolarHBondContact O-CB 3.27Å; F234-A238 PolarHBondContact O-N 3.2Å
235	L	69.4	Low	70.9	Confident	100 Å²	100	91 Å²	91	52%	0.524	49%	0.486	S	S	.	.	H	α-helix	trans	-68.3	-38.7	174.5	-93.2	166.1	0	0	0	111.1	V231 G232 A238 L239	V231-L235 HydrophobicContact CG1-CD1 4.07Å; V231-L235 WeakPolarHBondContact O-CB 3.46Å; V231-L235 PolarHBondContact O-N 3.21Å; G232-L235 PolarHBondContact O-N 2.84Å; L235-A238 CarbonylContact O-C 3.56Å; L235-A238 PolarHBondContact O-N 3.49Å; L235-L239 VanDerWaalsContact O-CB 3.27Å; L235-L239 WeakPolarHBondContact O-CB 3.37Å; L235-L239 PolarHBondContact O-N 2.95Å
236	L	77.9	Confident	71.7	Confident	105 Å²	105	93.4 Å²	93.4	55%	0.55	51%	0.506	S	S	.	.	H	α-helix	trans	-66.3	-42.2	173.2	-173.4	73.6	0	0	0	110.3	G232 I233 A238 L239 L240	G232-L236 WeakPolarHBondContact O-CB 3.29Å; G232-L236 PolarHBondContact O-N 3.38Å; I233-L236 PolarHBondContact O-N 3.15Å; L236-A238 VanDerWaalsContact C-N 3.32Å; L236-L239 PolarHBondContact O-N 3.05Å; L236-L240 HydrophobicContact CG-CD1 4.26Å; L236-L240 VanDerWaalsContact O-CB 3.28Å; L236-L240 WeakPolarHBondContact O-CB 3.2Å; L236-L240 WeakPolarHBondContact O-CG 3.41Å; L236-L240 PolarHBondContact O-N 2.94Å
237	A	78.7	Confident	72.7	Confident	52 Å²	52	89.6 Å²	89.6	43%	0.43	49%	0.492	S	S	.	.	H	α-helix	trans	-65.3	-36.7	173.4	0	0	0	0	0	111.4	I233 F234 L240 A241	I233-A237 WeakPolarHBondContact O-CB 3.35Å; I233-A237 PolarHBondContact O-N 2.82Å; F234-A237 CarbonylContact O-C 3.52Å; F234-A237 PolarHBondContact O-N 2.95Å; A237-L240 PolarHBondContact O-N 3.25Å; A237-A241 WeakPolarHBondContact O-CA 3.31Å; A237-A241 WeakPolarHBondContact O-CB 3.18Å; A237-A241 PolarHBondContact O-N 2.98Å
238	A	72.4	Confident	73.3	Confident	41 Å²	41	90.3 Å²	90.3	34%	0.339	49%	0.49	S	S	.	.	H	α-helix	trans	-71.2	-36.1	174.2	0	0	0	0	0	111.7	F234 L235 L236 A241 A242	F234-A238 WeakPolarHBondContact O-CB 3.27Å; F234-A238 PolarHBondContact O-N 3.2Å; L235-A238 CarbonylContact O-C 3.56Å; L235-A238 PolarHBondContact O-N 3.49Å; L236-A238 VanDerWaalsContact C-N 3.32Å; A238-A241 PolarHBondContact O-N 3.2Å; A238-A242 WeakPolarHBondContact O-CA 3.29Å; A238-A242 WeakPolarHBondContact O-CB 3.48Å; A238-A242 PolarHBondContact O-N 3.1Å
239	L	80.4	Confident	73.9	Confident	119 Å²	119	90.9 Å²	90.9	62%	0.623	51%	0.506	S	S	*	.	H	α-helix	trans	-69.1	-39.7	172.1	-102.4	158.9	0	0	0	111.2	L235 L236 L243	L235-L239 VanDerWaalsContact O-CB 3.27Å; L235-L239 WeakPolarHBondContact O-CB 3.37Å; L235-L239 PolarHBondContact O-N 2.95Å; L236-L239 PolarHBondContact O-N 3.05Å; L239-L243 WeakPolarHBondContact O-CA 3.36Å; L239-L243 WeakPolarHBondContact O-CB 3.34Å; L239-L243 PolarHBondContact O-N 3.4Å
240	L	83.4	Confident	74.1	Confident	101 Å²	101	90.7 Å²	90.7	53%	0.529	52%	0.516	S	S	.	.	H	α-helix	trans	-69.7	-37.2	173.9	-74.7	171.9	0	0	0	111.1	L236 A237 F244	L236-L240 HydrophobicContact CG-CD1 4.26Å; L236-L240 VanDerWaalsContact O-CB 3.28Å; L236-L240 WeakPolarHBondContact O-CB 3.2Å; L236-L240 WeakPolarHBondContact O-CG 3.41Å; L236-L240 PolarHBondContact O-N 2.94Å; A237-L240 PolarHBondContact O-N 3.25Å; L240-F244 WeakPolarHBondContact O-CA 3.23Å; L240-F244 WeakPolarHBondContact O-CB 3.39Å; L240-F244 PolarHBondContact O-N 3.2Å
241	A	80.2	Confident	73.9	Confident	50 Å²	50	87.8 Å²	87.8	41%	0.413	51%	0.513	S	S	.	.	H	α-helix	trans	-69.8	-41.6	173.6	0	0	0	0	0	111	A237 A238 F244 V245	A237-A241 WeakPolarHBondContact O-CA 3.31Å; A237-A241 WeakPolarHBondContact O-CB 3.18Å; A237-A241 PolarHBondContact O-N 2.98Å; A238-A241 PolarHBondContact O-N 3.2Å; A241-F244 CarbonylContact O-C 3.59Å; A241-F244 PolarHBondContact O-N 3.35Å; A241-V245 VanDerWaalsContact O-CB 3.3Å; A241-V245 WeakPolarHBondContact O-CB 3.23Å; A241-V245 WeakPolarHBondContact O-CG2 3.47Å; A241-V245 PolarHBondContact O-N 2.85Å
242	A	77.3	Confident	73.5	Confident	49 Å²	49	87.4 Å²	87.4	41%	0.405	51%	0.51	S	S	.	.	H	α-helix	trans	-65.7	-42.5	173.8	0	0	0	0	0	110.5	A238 F244 V245 C246	A238-A242 WeakPolarHBondContact O-CA 3.29Å; A238-A242 WeakPolarHBondContact O-CB 3.48Å; A238-A242 PolarHBondContact O-N 3.1Å; A242-F244 VanDerWaalsContact C-N 3.35Å; A242-V245 CarbonylContact O-C 3.5Å; A242-V245 PolarHBondContact O-N 2.89Å; A242-C246 WeakPolarHBondContact O-CA 3.06Å; A242-C246 WeakPolarHBondContact O-CB 3.46Å; A242-C246 PolarHBondContact O-N 3.27Å; A242-C246 PolarHBondContact O-SG 3.3Å
243	L	80.7	Confident	72.9	Confident	95 Å²	95	91.5 Å²	91.5	50%	0.497	53%	0.528	S	S	.	.	H	α-helix	trans	-62.6	-43	172.7	179.1	66	0	0	0	110.5	L239 C246 L247	L239-L243 WeakPolarHBondContact O-CA 3.36Å; L239-L243 WeakPolarHBondContact O-CB 3.34Å; L239-L243 PolarHBondContact O-N 3.4Å; L243-C246 CarbonylContact O-C 3.58Å; L243-C246 PolarHBondContact O-N 2.91Å; L243-L247 HydrophobicContact CD1-CD1 4.23Å; L243-L247 HydrophobicContact CD1-CG 4.25Å; L243-L247 HydrophobicContact CG-CD1 3.9Å; L243-L247 HydrophobicContact CG-CG 4.34Å; L243-L247 VanDerWaalsContact O-CB 3.25Å; L243-L247 WeakPolarHBondContact O-CB 3.22Å; L243-L247 WeakPolarHBondContact O-CG 3.32Å; L243-L247 PolarHBondContact O-N 3.23Å
244	F	81.9	Confident	71.6	Confident	139 Å²	139	92 Å²	92	61%	0.61	54%	0.539	S	S	*	.	H	α-helix	trans	-65.4	-41.8	176.5	177.9	-97.2	0	0	0	111.5	L240 A241 A242 L247 K248	L240-F244 WeakPolarHBondContact O-CA 3.23Å; L240-F244 WeakPolarHBondContact O-CB 3.39Å; L240-F244 PolarHBondContact O-N 3.2Å; A241-F244 CarbonylContact O-C 3.59Å; A241-F244 PolarHBondContact O-N 3.35Å; A242-F244 VanDerWaalsContact C-N 3.35Å; F244-L247 PolarHBondContact O-N 3.05Å; F244-K248 WeakPolarHBondContact O-CB 3.48Å; F244-K248 PolarHBondContact O-N 2.98Å
245	V	80.3	Confident	70.4	Confident	88 Å²	88	91.7 Å²	91.7	53%	0.533	54%	0.543	S	S	.	.	H	α-helix	trans	-67.1	-38.6	173.6	169.5	0	0	0	0	110.2	A241 A242 K248 A249	A241-V245 VanDerWaalsContact O-CB 3.3Å; A241-V245 WeakPolarHBondContact O-CB 3.23Å; A241-V245 WeakPolarHBondContact O-CG2 3.47Å; A241-V245 PolarHBondContact O-N 2.85Å; A242-V245 CarbonylContact O-C 3.5Å; A242-V245 PolarHBondContact O-N 2.89Å; V245-K248 PolarHBondContact O-N 2.95Å; V245-A249 WeakPolarHBondContact O-CA 3.36Å; V245-A249 WeakPolarHBondContact O-CB 3.27Å; V245-A249 PolarHBondContact O-N 3.05Å
246	C	76.8	Confident	69.4	Low	82 Å²	82	97.8 Å²	97.8	55%	0.554	56%	0.559	S	S	*	*	H	α-helix	trans	-66.6	-41.6	174.3	-76.3	0	0	0	0	110.9	A242 L243 A250	A242-C246 WeakPolarHBondContact O-CA 3.06Å; A242-C246 WeakPolarHBondContact O-CB 3.46Å; A242-C246 PolarHBondContact O-N 3.27Å; A242-C246 PolarHBondContact O-SG 3.3Å; L243-C246 CarbonylContact O-C 3.58Å; L243-C246 PolarHBondContact O-N 2.91Å; C246-A250 WeakPolarHBondContact O-CA 3.37Å; C246-A250 WeakPolarHBondContact O-CB 3.2Å; C246-A250 PolarHBondContact O-N 3.31Å
247	L	76.5	Confident	68.4	Low	77 Å²	77	98.5 Å²	98.5	40%	0.403	57%	0.568	S	S	.	*	H	α-helix	trans	-66.4	-42.5	174.9	-74.3	169.7	0	0	0	110.5	L243 F244 A250 N251 V252	L243-L247 HydrophobicContact CD1-CD1 4.23Å; L243-L247 HydrophobicContact CD1-CG 4.25Å; L243-L247 HydrophobicContact CG-CD1 3.9Å; L243-L247 HydrophobicContact CG-CG 4.34Å; L243-L247 VanDerWaalsContact O-CB 3.25Å; L243-L247 WeakPolarHBondContact O-CB 3.22Å; L243-L247 WeakPolarHBondContact O-CG 3.32Å; L243-L247 PolarHBondContact O-N 3.23Å; F244-L247 PolarHBondContact O-N 3.05Å; L247-A250 CarbonylContact O-C 3.55Å; L247-N251 PolarHBondContact O-N 3.22Å; L247-N251 VanDerWaalsContact O-N 3.08Å; L247-V252 HydrophobicContact CB-CG2 3.66Å; L247-V252 HydrophobicContact CD2-CG1 4.21Å; L247-V252 HydrophobicContact CD2-CG2 3.79Å; L247-V252 HydrophobicContact CG-CG2 4.31Å; L247-V252 WeakPolarHBondContact O-CG2 3.48Å; L247-V252 PolarHBondContact O-N 3.45Å; L247-V252 VanDerWaalsContact O-N 3.11Å
248	K	68.8	Low	68.1	Low	144 Å²	144	99.8 Å²	99.8	63%	0.626	57%	0.565	S	S	*	*	H	α-helix	trans	-69.4	-42	176.9	-164.7	-156.7	178	-173	0	112.1	F244 V245 N251	F244-K248 WeakPolarHBondContact O-CB 3.48Å; F244-K248 PolarHBondContact O-N 2.98Å; V245-K248 PolarHBondContact O-N 2.95Å; K248-N251 WeakPolarHBondContact O-CA 3.26Å; K248-N251 PolarHBondContact O-N 3.39Å
249	A	69.8	Low	68.8	Low	83 Å²	83	102.2 Å²	102.2	69%	0.686	58%	0.577	S	S	*	*	H	α-helix	trans	-72.2	-33.4	176.8	0	0	0	0	0	111.6	V245 N251	V245-A249 WeakPolarHBondContact O-CA 3.36Å; V245-A249 WeakPolarHBondContact O-CB 3.27Å; V245-A249 PolarHBondContact O-N 3.05Å; A249-N251 PolarHBondContact O-N 3.3Å
250	A	66.1	Low	69.2	Low	69 Å²	69	99.1 Å²	99.1	57%	0.57	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	-2	166.4	0	0	0	0	0	112.4	C246 L247 V252	C246-A250 WeakPolarHBondContact O-CA 3.37Å; C246-A250 WeakPolarHBondContact O-CB 3.2Å; C246-A250 PolarHBondContact O-N 3.31Å; L247-A250 CarbonylContact O-C 3.55Å; A250-V252 VanDerWaalsContact C-N 3.29Å; A250-V252 PolarHBondContact O-N 3.32Å
251	N	59	Low	69.7	Low	106 Å²	106	94.7 Å²	94.7	57%	0.567	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	38.8	172.9	-127.5	23.1	0	0	0	113	L247 K248 A249 T253 S254	L247-N251 PolarHBondContact O-N 3.22Å; L247-N251 VanDerWaalsContact O-N 3.08Å; K248-N251 WeakPolarHBondContact O-CA 3.26Å; K248-N251 PolarHBondContact O-N 3.39Å; A249-N251 PolarHBondContact O-N 3.3Å; N251-T253 PolarHBondContact O-N 3.08Å; N251-S254 PolarHBondContact O-N 3.13Å
252	V	52.2	Low	70.4	Confident	66 Å²	66	94 Å²	94	40%	0.4	53%	0.531	S	S	.	.	G	3₁₀ helix	trans	-65.8	-3.8	-177.7	-77.4	0	0	0	0	114.9	L247 A250 S254 I255	L247-V252 HydrophobicContact CB-CG2 3.66Å; L247-V252 HydrophobicContact CD2-CG1 4.21Å; L247-V252 HydrophobicContact CD2-CG2 3.79Å; L247-V252 HydrophobicContact CG-CG2 4.31Å; L247-V252 WeakPolarHBondContact O-CG2 3.48Å; L247-V252 PolarHBondContact O-N 3.45Å; L247-V252 VanDerWaalsContact O-N 3.11Å; A250-V252 VanDerWaalsContact C-N 3.29Å; A250-V252 PolarHBondContact O-N 3.32Å; V252-S254 PolarHBondContact O-N 3.49Å; V252-I255 WeakPolarHBondContact O-CD1 3.44Å; V252-I255 VanDerWaalsContact O-CG1 3.32Å; V252-I255 WeakPolarHBondContact O-CG1 3.36Å; V252-I255 PolarHBondContact O-N 3.17Å
253	T	48.8	Very low	71.3	Confident	122 Å²	122	91.8 Å²	91.8	75%	0.748	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-70.4	-3.3	170.6	23.6	0	0	0	0	114.7	N251 I255	N251-T253 PolarHBondContact O-N 3.08Å; T253-I255 PolarHBondContact O-N 3.47Å
254	S	49.2	Very low	72	Confident	95 Å²	95	90.2 Å²	90.2	66%	0.664	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-74.9	9.8	167.6	-71.7	0	0	0	0	114.6	N251 V252 R256	N251-S254 PolarHBondContact O-N 3.13Å; V252-S254 PolarHBondContact O-N 3.49Å; S254-R256 PolarHBondContact O-N 2.94Å
255	I	47.9	Very low	72.6	Confident	142 Å²	142	83.6 Å²	83.6	73%	0.728	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-68	-12.7	173.5	-69.4	168.5	0	0	0	113	V252 T253 T257	V252-I255 WeakPolarHBondContact O-CD1 3.44Å; V252-I255 VanDerWaalsContact O-CG1 3.32Å; V252-I255 WeakPolarHBondContact O-CG1 3.36Å; V252-I255 PolarHBondContact O-N 3.17Å; T253-I255 PolarHBondContact O-N 3.47Å; I255-T257 PolarHBondContact O-N 2.87Å
256	R	48.8	Very low	73.2	Confident	229 Å²	229	81.5 Å²	81.5	86%	0.864	46%	0.458	S	S	*	.			trans	-75.4	86.4	160.1	-82.2	-167.9	-177.8	-158.7	1.2	108.5	S254 E258	S254-R256 PolarHBondContact O-N 2.94Å; R256-E258 VanDerWaalsContact C-N 3.27Å; R256-E258 PolarHBondContact O-N 3.17Å
257	T	58.4	Low	74	Confident	120 Å²	120	77.7 Å²	77.7	74%	0.736	43%	0.432	S	S	*	.			trans	-65.2	94	161.8	-37.3	0	0	0	0	106.5	I255	I255-T257 PolarHBondContact O-N 2.87Å
258	E	71.7	Confident	74.5	Confident	78 Å²	78	79.6 Å²	79.6	36%	0.364	44%	0.443	S	S	.	.			trans	-57.6	137.1	160.4	-67.8	-170	-174	0	0	106.6	R256 T260 R310	R256-E258 VanDerWaalsContact C-N 3.27Å; R256-E258 PolarHBondContact O-N 3.17Å; E258-T260 PolarHBondContact O-N 3.24Å; E258-R310 VanDerWaalsContact CD-NH1 3.35Å; E258-R310 IonicContact OE1-CZ 3.81Å; E258-R310 IonicContact OE1-NH1 2.64Å; E258-R310 PolarHBondContact OE1-NH1 3.09Å; E258-R310 VanDerWaalsContact OE2-CD 3.3Å; E258-R310 WeakPolarHBondContact OE2-CD 3.39Å; E258-R310 IonicContact OE2-CZ 2.72Å; E258-R310 VanDerWaalsContact OE2-CZ 3.26Å; E258-R310 IonicContact OE2-NE 3.83Å; E258-R310 PolarHBondContact OE2-NE 2.74Å; E258-R310 IonicContact OE2-NH1 3.97Å; E258-R310 PolarHBondContact OE2-NH1 2.86Å
259	P	86	Confident	75.5	Confident	93 Å²	93	75.6 Å²	75.6	60%	0.604	43%	0.428	S	S	*	.			trans	-53.3	135.2	178.1	20.4	-30.2	0	0	0	108.9	Q309	P259-Q309 HydrophobicContact CB-CB 4.07Å; P259-Q309 HydrophobicContact CG-CB 3.91Å; P259-Q309 WeakPolarHBondContact O-CB 3.35Å; P259-Q309 PolarHBondContact O-N 2.82Å
260	T	90.2	Very high	76.6	Confident	53 Å²	53	73.1 Å²	73.1	33%	0.325	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	155.5	178	51.3	0	0	0	0	109.7	E258 E306 I307 E308	E258-T260 PolarHBondContact O-N 3.24Å; T260-E306 HydrophobicContact CG2-CB 4.19Å; T260-I307 CarbonylContact C-O 3.59Å; T260-I307 WeakPolarHBondContact CA-O 3.41Å; T260-I307 WeakPolarHBondContact CB-O 3.48Å; T260-E308 HydrophobicContact CG2-CG 4.46Å
261	Y	93	Very high	77.6	Confident	9 Å²	9	71.6 Å²	71.6	4%	0.035	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	154.5	167	68.8	-77.7	0	0	0	109.8	L263 I307 Y311 I314	Y261-L263 HydrophobicContact CD2-CD2 4.18Å; Y261-L263 HydrophobicContact CD2-CG 4.08Å; Y261-L263 HydrophobicContact CE2-CD1 3.77Å; Y261-L263 HydrophobicContact CE2-CD2 3.86Å; Y261-L263 HydrophobicContact CE2-CG 3.69Å; Y261-I307 HydrophobicContact CD1-CB 4.21Å; Y261-I307 VanDerWaalsContact CD1-O 3.3Å; Y261-I307 WeakPolarHBondContact CD1-O 3.3Å; Y261-I307 HydrophobicContact CE1-CB 3.66Å; Y261-I307 HydrophobicContact CE1-CG2 3.66Å; Y261-I307 HydrophobicContact CE2-CB 4.43Å; Y261-I307 PolarHBondContact N-O 3.49Å; Y261-I307 PolarHBondContact O-N 3.37Å; Y261-Y311 PolarHBondContact OH-O 3.37Å; Y261-Y311 VanDerWaalsContact OH-O 3.12Å; Y261-I314 VanDerWaalsContact OH-CD1 3.31Å; Y261-I314 WeakPolarHBondContact OH-CD1 3.5Å
262	T	95.1	Very high	79	Confident	36 Å²	36	69 Å²	69	22%	0.221	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	129	-170.5	-47.7	0	0	0	0	110.5	Y264 T304 L305 D351 G352	T262-Y264 HydrophobicContact CG2-CE1 4.29Å; T262-Y264 HydrophobicContact CG2-CE2 4.29Å; T262-T304 HydrophobicContact CG2-CG2 3.46Å; T262-T304 VanDerWaalsContact CG2-CG2 3.46Å; T262-L305 CarbonylContact C-O 3.55Å; T262-L305 VanDerWaalsContact CA-O 3.23Å; T262-L305 WeakPolarHBondContact CA-O 3.21Å; T262-D351 WeakPolarHBondContact CA-OD1 3.4Å; T262-D351 WeakPolarHBondContact CB-OD1 3.49Å; T262-D351 PolarHBondContact N-OD1 3.45Å; T262-G352 PolarHBondContact O-N 3.21Å
263	L	95.7	Very high	80.8	Confident	1 Å²	1	66.4 Å²	66.4	1%	0.005	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	151.4	168.6	-65.2	177.7	0	0	0	109.9	Y261 L305 I307 L349 K350 D353 I355	Y261-L263 HydrophobicContact CD2-CD2 4.18Å; Y261-L263 HydrophobicContact CD2-CG 4.08Å; Y261-L263 HydrophobicContact CE2-CD1 3.77Å; Y261-L263 HydrophobicContact CE2-CD2 3.86Å; Y261-L263 HydrophobicContact CE2-CG 3.69Å; L263-L305 HydrophobicContact CB-CB 4.3Å; L263-L305 HydrophobicContact CB-CD1 4.34Å; L263-L305 PolarHBondContact N-O 3.18Å; L263-L305 WeakPolarHBondContact O-CB 3.24Å; L263-L305 PolarHBondContact O-N 3.27Å; L263-I307 HydrophobicContact CD1-CG1 3.98Å; L263-I307 HydrophobicContact CG-CG1 4.5Å; L263-L349 HydrophobicContact CD1-CD1 4.15Å; L263-L349 HydrophobicContact CD2-CB 4.07Å; L263-K350 VanDerWaalsContact CD2-O 3.27Å; L263-K350 WeakPolarHBondContact CD2-O 3.31Å; L263-D353 WeakPolarHBondContact CA-O 3.38Å; L263-D353 HydrophobicContact CD2-CB 4.08Å; L263-I355 HydrophobicContact CD1-CD1 3.88Å; L263-I355 HydrophobicContact CD1-CG1 4.49Å
264	Y	95.6	Very high	82.9	Confident	63 Å²	63	65.2 Å²	65.2	25%	0.247	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	148.6	174.9	-58.8	-79.7	0	0	0	110.9	T262 R302 V303 T304 D353 T354 I355	T262-Y264 HydrophobicContact CG2-CE1 4.29Å; T262-Y264 HydrophobicContact CG2-CE2 4.29Å; Y264-R302 VanDerWaalsContact CG-NH2 3.26Å; Y264-V303 WeakPolarHBondContact CA-O 3.44Å; Y264-T304 HydrophobicContact CD1-CG2 4.24Å; Y264-T304 HydrophobicContact CE1-CG2 3.78Å; Y264-D353 PolarHBondContact N-O 2.9Å; Y264-T354 CarbonylContact O-C 3.55Å; Y264-T354 VanDerWaalsContact O-CA 3.24Å; Y264-T354 WeakPolarHBondContact O-CA 3.12Å; Y264-T354 WeakPolarHBondContact O-CG2 3.31Å; Y264-I355 PolarHBondContact O-N 2.78Å
265	A	95.2	Very high	84.9	Confident	0 Å²	0	63 Å²	63	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	141.2	171.6	0	0	0	0	0	109	F267 V303 L305 L320 T358	A265-F267 HydrophobicContact CB-CD2 4.42Å; A265-F267 HydrophobicContact CB-CE2 3.58Å; A265-F267 HydrophobicContact CB-CZ 4.03Å; A265-V303 PolarHBondContact N-O 3.18Å; A265-V303 PolarHBondContact O-N 3.33Å; A265-L305 HydrophobicContact CB-CD1 4.29Å; A265-L320 HydrophobicContact CB-CD1 3.68Å; A265-T358 HydrophobicContact CB-CG2 3.9Å
266	T	93	Very high	86.9	Confident	44 Å²	44	65.8 Å²	65.8	27%	0.27	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	132.9	177.5	-52.9	0	0	0	0	108.5	L300 P301 T358	T266-L300 HydrophobicContact CG2-CB 3.67Å; T266-L300 HydrophobicContact CG2-CD1 4.2Å; T266-P301 WeakPolarHBondContact CA-O 3.18Å; T266-T358 WeakPolarHBondContact O-CB 3.16Å; T266-T358 WeakPolarHBondContact O-CG2 3.46Å; T266-T358 PolarHBondContact O-OG1 3.04Å
267	F	92.7	Very high	89	Confident	1 Å²	1	54.9 Å²	54.9	0%	0.004	31%	0.308	C	S	.	.			trans	-124.8	151.6	178.8	-63	-91.6	0	0	0	109.6	A265 I270 P301 V303 L320 I322 L333 T358	A265-F267 HydrophobicContact CB-CD2 4.42Å; A265-F267 HydrophobicContact CB-CE2 3.58Å; A265-F267 HydrophobicContact CB-CZ 4.03Å; F267-I270 HydrophobicContact CB-CG2 4.1Å; F267-I270 HydrophobicContact CD2-CG2 4.41Å; F267-P301 PolarHBondContact N-O 3.36Å; F267-P301 WeakPolarHBondContact O-CD 3.33Å; F267-V303 HydrophobicContact CD2-CB 4.36Å; F267-V303 HydrophobicContact CD2-CG2 3.69Å; F267-V303 HydrophobicContact CE2-CB 4.16Å; F267-V303 HydrophobicContact CE2-CG2 3.89Å; F267-L320 HydrophobicContact CZ-CB 4.03Å; F267-I322 HydrophobicContact CB-CD1 4.4Å; F267-I322 HydrophobicContact CD1-CD1 3.67Å; F267-I322 HydrophobicContact CD1-CG1 4.03Å; F267-I322 HydrophobicContact CD2-CD1 4.37Å; F267-I322 HydrophobicContact CE1-CD1 3.95Å; F267-I322 HydrophobicContact CE1-CG1 3.81Å; F267-I322 HydrophobicContact CG-CD1 3.89Å; F267-I322 HydrophobicContact CZ-CD1 4.43Å; F267-I322 HydrophobicContact CZ-CG1 4.24Å; F267-L333 HydrophobicContact CE1-CD2 4.15Å; F267-L333 HydrophobicContact CE2-CD2 4.1Å; F267-L333 HydrophobicContact CZ-CD2 3.49Å; F267-L333 VanDerWaalsContact CZ-CD2 3.49Å; F267-T358 HydrophobicContact CE1-CG2 4.09Å; F267-T358 HydrophobicContact CZ-CG2 4.08Å
268	D	88.5	Confident	90.8	Very high	118 Å²	118	50.7 Å²	50.7	63%	0.631	28%	0.283	S	S	*	.	S	Bend	trans	-72.8	-38.3	171.5	-57.1	-45	0	0	0	111.1	S360	D268-S360 PolarHBondContact N-OG 3.11Å
269	N	89.6	Confident	91.9	Very high	59 Å²	59	47 Å²	47	32%	0.316	27%	0.266	S	S	.	.			trans	-143	122.8	176.9	-170.5	-12.5	0	0	0	110.3	G271 S360 A361 V363	N269-G271 PolarHBondContact OD1-N 2.87Å; N269-S360 PolarHBondContact N-OG 3.33Å; N269-S360 WeakPolarHBondContact O-CB 3.4Å; N269-A361 PolarHBondContact O-N 3.16Å; N269-V363 WeakPolarHBondContact ND2-CG2 3.47Å
270	I	91.3	Very high	92.3	Very high	32 Å²	32	42.9 Å²	42.9	16%	0.164	24%	0.24	C	C	.	.			trans	-86.5	-8.6	178.5	57.1	169.6	0	0	0	113.7	F267 G272 L273 I292 P301 V303 I322 Q331	F267-I270 HydrophobicContact CB-CG2 4.1Å; F267-I270 HydrophobicContact CD2-CG2 4.41Å; I270-G272 PolarHBondContact O-N 2.9Å; I270-L273 HydrophobicContact CB-CB 4.23Å; I270-L273 VanDerWaalsContact O-CB 3.23Å; I270-L273 WeakPolarHBondContact O-CB 3.47Å; I270-L273 PolarHBondContact O-N 3.45Å; I270-L273 VanDerWaalsContact O-N 3.13Å; I270-I292 HydrophobicContact CD1-CD1 4.33Å; I270-I292 HydrophobicContact CD1-CG2 3.61Å; I270-P301 HydrophobicContact CG1-CB 4.47Å; I270-P301 HydrophobicContact CG1-CG 4.49Å; I270-P301 HydrophobicContact CG2-CB 3.42Å; I270-P301 VanDerWaalsContact CG2-CB 3.42Å; I270-P301 HydrophobicContact CG2-CG 4.1Å; I270-V303 HydrophobicContact CG2-CG2 3.87Å; I270-I322 HydrophobicContact CB-CD1 4.39Å; I270-I322 HydrophobicContact CG2-CD1 4.5Å; I270-Q331 PolarHBondContact O-OE1 2.97Å
271	G	87.9	Confident	92.3	Very high	36 Å²	36	42.4 Å²	42.4	37%	0.371	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	-125.1	-172.4	0	0	0	0	0	112.6	N269 Q331	N269-G271 PolarHBondContact OD1-N 2.87Å; G271-Q331 VanDerWaalsContact CA-OE1 3.26Å
272	G	87.9	Confident	91.9	Very high	53 Å²	53	46.1 Å²	46.1	55%	0.546	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	16.4	178.7	0	0	0	0	0	114.6	I270 K274 Q331	I270-G272 PolarHBondContact O-N 2.9Å; G272-K274 PolarHBondContact O-N 3.13Å; G272-Q331 VanDerWaalsContact N-CD 3.28Å
273	L	91.4	Very high	91.4	Very high	11 Å²	11	47.4 Å²	47.4	6%	0.058	30%	0.296	C	S	.	.			trans	-61.8	133.6	176.3	-162.9	74.7	0	0	0	110.5	I270 S277 V289 I292 V303 L333	I270-L273 HydrophobicContact CB-CB 4.23Å; I270-L273 VanDerWaalsContact O-CB 3.23Å; I270-L273 WeakPolarHBondContact O-CB 3.47Å; I270-L273 PolarHBondContact O-N 3.45Å; I270-L273 VanDerWaalsContact O-N 3.13Å; L273-S277 VanDerWaalsContact CD1-CB 3.44Å; L273-V289 HydrophobicContact CD1-CG2 4.22Å; L273-V289 HydrophobicContact CD2-CG2 3.99Å; L273-V289 HydrophobicContact CG-CG2 4.2Å; L273-I292 HydrophobicContact CB-CD1 4.23Å; L273-I292 HydrophobicContact CD2-CD1 4.19Å; L273-I292 HydrophobicContact CG-CD1 4.13Å; L273-I292 VanDerWaalsContact O-CD1 3.26Å; L273-I292 WeakPolarHBondContact O-CD1 3.47Å; L273-V303 HydrophobicContact CD2-CG1 4.06Å; L273-V303 HydrophobicContact CD2-CG2 4.07Å; L273-L333 HydrophobicContact CD1-CG 4.18Å; L273-L333 HydrophobicContact CD2-CD1 4.11Å; L273-L333 HydrophobicContact CD2-CD2 4.48Å; L273-L333 HydrophobicContact CD2-CG 4.17Å
274	K	91.8	Very high	91.2	Very high	97 Å²	97	51.4 Å²	51.4	42%	0.422	32%	0.32	S	S	.	.			trans	-126.2	162.7	-179.4	59.6	-176.8	175.8	-174.8	0	112.1	G272 R276 S277 E330	G272-K274 PolarHBondContact O-N 3.13Å; K274-R276 PolarHBondContact O-N 2.9Å; K274-S277 WeakPolarHBondContact CG-OG 3.5Å; K274-S277 PolarHBondContact N-OG 2.92Å; K274-S277 VanDerWaalsContact O-CB 3.27Å; K274-S277 WeakPolarHBondContact O-CB 3.37Å; K274-S277 PolarHBondContact O-N 3.26Å; K274-S277 PolarHBondContact O-OG 3.24Å; K274-E330 WeakPolarHBondContact CE-OE2 3.35Å; K274-E330 IonicContact NZ-OE1 2.63Å; K274-E330 PolarHBondContact NZ-OE1 2.6Å; K274-E330 IonicContact NZ-OE2 3.97Å; K274-E330 PolarHBondContact NZ-OE2 3Å
275	A	91.1	Very high	91	Very high	48 Å²	48	51.1 Å²	51.1	40%	0.397	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	135.4	167.7	0	0	0	0	0	110.3	S277	A275-S277 VanDerWaalsContact C-N 3.34Å
276	R	89.6	Confident	91	Very high	200 Å²	200	51.2 Å²	51.2	76%	0.755	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.9	9.5	-172.3	-52.2	177.1	-71.6	-174.9	-4.3	116.4	K274 R288 V289	K274-R276 PolarHBondContact O-N 2.9Å; R276-R288 VanDerWaalsContact O-CD 3.27Å; R276-R288 WeakPolarHBondContact O-CD 3.34Å; R276-R288 PolarHBondContact O-NH1 2.93Å; R276-V289 VanDerWaalsContact CA-O 3.31Å; R276-V289 WeakPolarHBondContact CA-O 3.42Å; R276-V289 PolarHBondContact N-O 3.23Å
277	S	94.3	Very high	91	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.007	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-57.9	141.6	170.3	-58.3	0	0	0	0	110.3	L273 K274 A275 R288 V289	L273-S277 VanDerWaalsContact CD1-CB 3.44Å; K274-S277 WeakPolarHBondContact CG-OG 3.5Å; K274-S277 PolarHBondContact N-OG 2.92Å; K274-S277 VanDerWaalsContact O-CB 3.27Å; K274-S277 WeakPolarHBondContact O-CB 3.37Å; K274-S277 PolarHBondContact O-N 3.26Å; K274-S277 PolarHBondContact O-OG 3.24Å; A275-S277 VanDerWaalsContact C-N 3.34Å; S277-R288 WeakPolarHBondContact O-CA 3.41Å; S277-V289 PolarHBondContact O-N 2.63Å
278	P	94.8	Very high	91	Very high	32 Å²	32	54.8 Å²	54.8	21%	0.208	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	141.1	-176.6	23.5	-24.6	0	0	0	111.8	V285 Y332 L333	P278-V285 HydrophobicContact CB-CG1 4.1Å; P278-V285 HydrophobicContact CB-CG2 3.98Å; P278-Y332 WeakPolarHBondContact O-CB 3.47Å; P278-L333 PolarHBondContact O-N 2.98Å
279	V	95.3	Very high	91.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	124.3	163.9	-172.5	0	0	0	0	106.8	V285 V286 G287 V289 L305 I307 L320 L333 L335	V279-V285 CarbonylContact O-C 3.45Å; V279-V285 WeakPolarHBondContact O-CA 3.32Å; V279-V286 HydrophobicContact CG1-CG2 4.35Å; V279-V286 PolarHBondContact O-N 2.8Å; V279-G287 PolarHBondContact N-O 2.99Å; V279-G287 PolarHBondContact O-N 2.86Å; V279-V289 HydrophobicContact CG2-CG2 4.49Å; V279-L305 HydrophobicContact CG2-CD2 3.84Å; V279-I307 HydrophobicContact CB-CD1 4.1Å; V279-I307 HydrophobicContact CG1-CD1 3.83Å; V279-I307 HydrophobicContact CG2-CD1 4.33Å; V279-L320 HydrophobicContact CG1-CD2 4.23Å; V279-L333 CarbonylContact C-O 3.59Å; V279-L333 WeakPolarHBondContact CA-O 3.32Å; V279-L333 HydrophobicContact CB-CB 4.44Å; V279-L333 HydrophobicContact CG1-CB 4.24Å; V279-L333 HydrophobicContact CG2-CB 4.16Å; V279-L333 HydrophobicContact CG2-CD1 4.18Å; V279-L335 HydrophobicContact CG1-CB 4.24Å
280	S	93.9	Very high	91.5	Very high	7 Å²	7	48.1 Å²	48.1	5%	0.049	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	145	-172.7	65.9	0	0	0	0	113.6	V284 Y332 L333 A334 L335	S280-V284 CarbonylContact C-O 3.56Å; S280-V284 WeakPolarHBondContact CA-O 3.27Å; S280-V284 WeakPolarHBondContact CB-O 3.26Å; S280-Y332 WeakPolarHBondContact OG-CD2 3.47Å; S280-Y332 WeakPolarHBondContact OG-CE2 3.42Å; S280-L333 PolarHBondContact N-O 2.83Å; S280-A334 CarbonylContact O-C 3.53Å; S280-A334 WeakPolarHBondContact O-CA 3.47Å; S280-L335 PolarHBondContact O-N 2.84Å
281	I	91.7	Very high	91.6	Very high	42 Å²	42	50.5 Å²	50.5	22%	0.215	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	120.5	171.4	-58.7	172.1	0	0	0	107.4	G283 V284 V286 L335 V337	I281-G283 PolarHBondContact O-N 3.05Å; I281-V284 PolarHBondContact N-O 3Å; I281-V284 PolarHBondContact O-N 2.7Å; I281-V286 HydrophobicContact CB-CG1 4.27Å; I281-V286 HydrophobicContact CD1-CB 4.41Å; I281-V286 HydrophobicContact CD1-CG1 3.81Å; I281-V286 HydrophobicContact CD1-CG2 4.04Å; I281-V286 HydrophobicContact CG1-CG1 3.96Å; I281-V286 HydrophobicContact CG1-CG2 3.87Å; I281-L335 HydrophobicContact CD1-CD2 3.88Å; I281-L335 HydrophobicContact CG1-CB 3.93Å; I281-L335 HydrophobicContact CG1-CD2 3.84Å; I281-L335 HydrophobicContact CG1-CG 4.1Å; I281-V337 HydrophobicContact CD1-CG2 3.73Å; I281-V337 HydrophobicContact CG1-CG2 4.19Å; I281-V337 HydrophobicContact CG2-CG2 3.71Å
282	G	84.1	Confident	91.9	Very high	87 Å²	87	50.8 Å²	50.8	90%	0.897	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	23.4	177.9	0	0	0	0	0	114.8
283	G	84.2	Confident	92.2	Very high	63 Å²	63	51.2 Å²	51.2	65%	0.649	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.1	-7.4	-175.8	0	0	0	0	0	115.4	I281	I281-G283 PolarHBondContact O-N 3.05Å
284	V	90.9	Very high	92.3	Very high	86 Å²	86	55.9 Å²	55.9	52%	0.521	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	124.2	173.6	-178.4	0	0	0	0	109.4	S280 I281 V286	S280-V284 CarbonylContact C-O 3.56Å; S280-V284 WeakPolarHBondContact CA-O 3.27Å; S280-V284 WeakPolarHBondContact CB-O 3.26Å; I281-V284 PolarHBondContact N-O 3Å; I281-V284 PolarHBondContact O-N 2.7Å; V284-V286 PolarHBondContact O-N 3Å
285	V	93	Very high	92.1	Very high	56 Å²	56	53.1 Å²	53.1	34%	0.339	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	121.5	177.4	-178.1	0	0	0	0	109.5	P278 V279 G287	P278-V285 HydrophobicContact CB-CG1 4.1Å; P278-V285 HydrophobicContact CB-CG2 3.98Å; V279-V285 CarbonylContact O-C 3.45Å; V279-V285 WeakPolarHBondContact O-CA 3.32Å; V285-G287 WeakPolarHBondContact CG1-O 3.24Å
286	V	93.3	Very high	91.8	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.012	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	-7.9	-179.4	-60.9	0	0	0	0	113.1	V279 I281 V284 E308 Y311	V279-V286 HydrophobicContact CG1-CG2 4.35Å; V279-V286 PolarHBondContact O-N 2.8Å; I281-V286 HydrophobicContact CB-CG1 4.27Å; I281-V286 HydrophobicContact CD1-CB 4.41Å; I281-V286 HydrophobicContact CD1-CG1 3.81Å; I281-V286 HydrophobicContact CD1-CG2 4.04Å; I281-V286 HydrophobicContact CG1-CG1 3.96Å; I281-V286 HydrophobicContact CG1-CG2 3.87Å; V284-V286 PolarHBondContact O-N 3Å; V286-E308 WeakPolarHBondContact O-CG 3.11Å; V286-E308 PolarHBondContact O-N 3.3Å; V286-Y311 HydrophobicContact CB-CD2 3.5Å; V286-Y311 HydrophobicContact CB-CE2 3.72Å; V286-Y311 HydrophobicContact CB-CG 4.2Å; V286-Y311 HydrophobicContact CG1-CD1 4.47Å; V286-Y311 HydrophobicContact CG1-CD2 3.68Å; V286-Y311 HydrophobicContact CG1-CE1 4.39Å; V286-Y311 HydrophobicContact CG1-CE2 3.55Å; V286-Y311 HydrophobicContact CG1-CG 4.14Å
287	G	93.5	Very high	91.6	Very high	3 Å²	3	55.2 Å²	55.2	3%	0.031	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.3	-174	-177.2	0	0	0	0	0	113.2	V279 V285 E306	V279-G287 PolarHBondContact N-O 2.99Å; V279-G287 PolarHBondContact O-N 2.86Å; V285-G287 WeakPolarHBondContact CG1-O 3.24Å; G287-E306 CarbonylContact C-O 3.6Å; G287-E306 WeakPolarHBondContact CA-O 3.47Å
288	R	93.9	Very high	91.1	Very high	118 Å²	118	58.8 Å²	58.8	45%	0.445	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	150.2	-177.1	-67.1	-70.7	176	170.3	-2.9	111.2	R276 S277 A290 E306	R276-R288 VanDerWaalsContact O-CD 3.27Å; R276-R288 WeakPolarHBondContact O-CD 3.34Å; R276-R288 PolarHBondContact O-NH1 2.93Å; S277-R288 WeakPolarHBondContact O-CA 3.41Å; R288-A290 PolarHBondContact O-N 3.21Å; R288-E306 PolarHBondContact N-O 2.92Å; R288-E306 PolarHBondContact O-N 2.71Å
289	V	95.2	Very high	90.7	Very high	1 Å²	1	65.6 Å²	65.6	1%	0.006	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	114.6	165.3	176.9	0	0	0	0	108.1	L273 R276 S277 V279 I292 V303 T304 L305 L333	L273-V289 HydrophobicContact CD1-CG2 4.22Å; L273-V289 HydrophobicContact CD2-CG2 3.99Å; L273-V289 HydrophobicContact CG-CG2 4.2Å; R276-V289 VanDerWaalsContact CA-O 3.31Å; R276-V289 WeakPolarHBondContact CA-O 3.42Å; R276-V289 PolarHBondContact N-O 3.23Å; S277-V289 PolarHBondContact O-N 2.63Å; V279-V289 HydrophobicContact CG2-CG2 4.49Å; V289-I292 HydrophobicContact CG1-CD1 4.09Å; V289-I292 HydrophobicContact CG1-CG1 3.71Å; V289-V303 HydrophobicContact CB-CG1 4.42Å; V289-V303 HydrophobicContact CG1-CG1 3.62Å; V289-V303 HydrophobicContact CG2-CG1 4.05Å; V289-T304 CarbonylContact C-O 3.58Å; V289-L305 HydrophobicContact CG2-CD2 4.01Å; V289-L333 HydrophobicContact CG2-CD1 3.68Å; V289-L333 HydrophobicContact CG2-CG 4.49Å
290	A	92	Very high	90.4	Very high	36 Å²	36	67.7 Å²	67.7	30%	0.298	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	-50.7	178.1	0	0	0	0	0	110.8	R288 T304 E306	R288-A290 PolarHBondContact O-N 3.21Å; A290-T304 HydrophobicContact CB-CG2 4.16Å; A290-T304 PolarHBondContact N-O 2.96Å; A290-E306 HydrophobicContact CB-CG 3.89Å
291	D	93.8	Very high	90.4	Very high	82 Å²	82	68.1 Å²	68.1	44%	0.439	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	160.9	-176.8	-165.6	27.3	0	0	0	112	T293 T304	D291-T293 VanDerWaalsContact OD2-CG2 3.3Å; D291-T293 WeakPolarHBondContact OD2-CG2 3.33Å; D291-T304 PolarHBondContact N-O 3.18Å; D291-T304 PolarHBondContact O-N 3.04Å
292	I	94.6	Very high	90.5	Very high	42 Å²	42	69.9 Å²	69.9	22%	0.215	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	117.9	178.4	-55.8	176.4	0	0	0	108.1	I270 L273 V289 V303	I270-I292 HydrophobicContact CD1-CD1 4.33Å; I270-I292 HydrophobicContact CD1-CG2 3.61Å; L273-I292 HydrophobicContact CB-CD1 4.23Å; L273-I292 HydrophobicContact CD2-CD1 4.19Å; L273-I292 HydrophobicContact CG-CD1 4.13Å; L273-I292 VanDerWaalsContact O-CD1 3.26Å; L273-I292 WeakPolarHBondContact O-CD1 3.47Å; V289-I292 HydrophobicContact CG1-CD1 4.09Å; V289-I292 HydrophobicContact CG1-CG1 3.71Å; I292-V303 HydrophobicContact CG1-CG1 4.38Å; I292-V303 HydrophobicContact CG1-CG2 4.45Å; I292-V303 HydrophobicContact CG2-CG2 4.45Å
293	T	93.7	Very high	91	Very high	61 Å²	61	65.7 Å²	65.7	37%	0.374	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	165.4	-178.3	58.1	0	0	0	0	110.4	D291 P301 R302	D291-T293 VanDerWaalsContact OD2-CG2 3.3Å; D291-T293 WeakPolarHBondContact OD2-CG2 3.33Å; T293-P301 CarbonylContact O-C 3.52Å; T293-P301 WeakPolarHBondContact O-CA 3.16Å; T293-R302 PolarHBondContact N-O 3.1Å; T293-R302 PolarHBondContact O-N 2.83Å; T293-R302 PolarHBondContact OG1-O 2.86Å
294	L	93.4	Very high	91.6	Very high	109 Å²	109	63.8 Å²	63.8	57%	0.571	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.1	132.2	170	-70.2	164.9	0	0	0	108.6	Y299 P301	L294-Y299 WeakPolarHBondContact CD2-O 3.43Å; L294-P301 HydrophobicContact CD2-CG 4.13Å
295	D	88	Confident	91.9	Very high	39 Å²	39	59.8 Å²	59.8	21%	0.209	30%	0.303	C	S	.	.			trans	-65.2	124.8	170.5	-172.8	-60.1	0	0	0	109	K297 T298 Y299 L300	D295-K297 PolarHBondContact O-N 2.8Å; D295-K297 VanDerWaalsContact O-N 3.15Å; D295-K297 WeakPolarHBondContact OD1-CB 3.31Å; D295-K297 PolarHBondContact OD1-N 3.32Å; D295-T298 WeakPolarHBondContact CB-OG1 3.34Å; D295-T298 PolarHBondContact OD1-N 3.07Å; D295-Y299 WeakPolarHBondContact O-CA 3.27Å; D295-Y299 PolarHBondContact O-N 2.89Å; D295-L300 PolarHBondContact N-O 3.21Å
296	P	85	Confident	91.9	Very high	105 Å²	105	61 Å²	61	68%	0.682	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-15	-173.8	27.8	-35.8	0	0	0	113.9
297	K	84.5	Confident	91.9	Very high	187 Å²	187	61 Å²	61	81%	0.813	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-45.4	-179.6	-62.5	-179.8	-179.6	177.8	0	111.9	D295	D295-K297 PolarHBondContact O-N 2.8Å; D295-K297 VanDerWaalsContact O-N 3.15Å; D295-K297 WeakPolarHBondContact OD1-CB 3.31Å; D295-K297 PolarHBondContact OD1-N 3.32Å
298	T	84.1	Confident	91.9	Very high	76 Å²	76	62.8 Å²	62.8	47%	0.466	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-14.1	-175.8	61.7	0	0	0	0	113.1	D295 L300	D295-T298 WeakPolarHBondContact CB-OG1 3.34Å; D295-T298 PolarHBondContact OD1-N 3.07Å; T298-L300 PolarHBondContact O-N 2.51Å; T298-L300 VanDerWaalsContact O-N 3.13Å; T298-L300 PolarHBondContact OG1-N 2.99Å
299	Y	87.5	Confident	91.7	Very high	175 Å²	175	61 Å²	61	69%	0.686	31%	0.31	S	S	*	.			trans	54.5	19.9	-169.2	-68.6	-85.6	0	0	0	113.8	L294 D295	L294-Y299 WeakPolarHBondContact CD2-O 3.43Å; D295-Y299 WeakPolarHBondContact O-CA 3.27Å; D295-Y299 PolarHBondContact O-N 2.89Å
300	L	88.1	Confident	91.4	Very high	44 Å²	44	67.1 Å²	67.1	23%	0.23	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-84.7	139.8	174.6	-63.7	176.5	0	0	0	110.2	T266 D295 T298 R302	T266-L300 HydrophobicContact CG2-CB 3.67Å; T266-L300 HydrophobicContact CG2-CD1 4.2Å; D295-L300 PolarHBondContact N-O 3.21Å; T298-L300 PolarHBondContact O-N 2.51Å; T298-L300 VanDerWaalsContact O-N 3.13Å; T298-L300 PolarHBondContact OG1-N 2.99Å; L300-R302 PolarHBondContact O-N 3.27Å
301	P	93	Very high	91.3	Very high	17 Å²	17	68.9 Å²	68.9	11%	0.11	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56	118.6	171.2	-26.9	31.2	0	0	0	112.9	T266 F267 I270 T293 L294	T266-P301 WeakPolarHBondContact CA-O 3.18Å; F267-P301 PolarHBondContact N-O 3.36Å; F267-P301 WeakPolarHBondContact O-CD 3.33Å; I270-P301 HydrophobicContact CG1-CB 4.47Å; I270-P301 HydrophobicContact CG1-CG 4.49Å; I270-P301 HydrophobicContact CG2-CB 3.42Å; I270-P301 VanDerWaalsContact CG2-CB 3.42Å; I270-P301 HydrophobicContact CG2-CG 4.1Å; T293-P301 CarbonylContact O-C 3.52Å; T293-P301 WeakPolarHBondContact O-CA 3.16Å; L294-P301 HydrophobicContact CD2-CG 4.13Å
302	R	94	Very high	91	Very high	78 Å²	78	69.2 Å²	69.2	29%	0.294	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	118.2	169.7	-174.7	177	-178.2	170.4	0.6	109.5	Y264 T293 L300	Y264-R302 VanDerWaalsContact CG-NH2 3.26Å; T293-R302 PolarHBondContact N-O 3.1Å; T293-R302 PolarHBondContact O-N 2.83Å; T293-R302 PolarHBondContact OG1-O 2.86Å; L300-R302 PolarHBondContact O-N 3.27Å
303	V	96	Very high	90.7	Very high	0 Å²	0	71.9 Å²	71.9	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	128.6	179.7	-175.4	0	0	0	0	109.2	Y264 A265 F267 I270 L273 V289 I292 L305 L333	Y264-V303 WeakPolarHBondContact CA-O 3.44Å; A265-V303 PolarHBondContact N-O 3.18Å; A265-V303 PolarHBondContact O-N 3.33Å; F267-V303 HydrophobicContact CD2-CB 4.36Å; F267-V303 HydrophobicContact CD2-CG2 3.69Å; F267-V303 HydrophobicContact CE2-CB 4.16Å; F267-V303 HydrophobicContact CE2-CG2 3.89Å; I270-V303 HydrophobicContact CG2-CG2 3.87Å; L273-V303 HydrophobicContact CD2-CG1 4.06Å; L273-V303 HydrophobicContact CD2-CG2 4.07Å; V289-V303 HydrophobicContact CB-CG1 4.42Å; V289-V303 HydrophobicContact CG1-CG1 3.62Å; V289-V303 HydrophobicContact CG2-CG1 4.05Å; I292-V303 HydrophobicContact CG1-CG1 4.38Å; I292-V303 HydrophobicContact CG1-CG2 4.45Å; I292-V303 HydrophobicContact CG2-CG2 4.45Å; V303-L305 HydrophobicContact CG1-CD2 3.72Å; V303-L305 HydrophobicContact CG1-CG 4.47Å; V303-L333 HydrophobicContact CG1-CD1 4.24Å
304	T	97	Very high	90.6	Very high	23 Å²	23	69.2 Å²	69.2	14%	0.141	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	128.4	174.3	-54.5	0	0	0	0	109	T262 Y264 V289 A290 D291	T262-T304 HydrophobicContact CG2-CG2 3.46Å; T262-T304 VanDerWaalsContact CG2-CG2 3.46Å; Y264-T304 HydrophobicContact CD1-CG2 4.24Å; Y264-T304 HydrophobicContact CE1-CG2 3.78Å; V289-T304 CarbonylContact C-O 3.58Å; A290-T304 HydrophobicContact CB-CG2 4.16Å; A290-T304 PolarHBondContact N-O 2.96Å; D291-T304 PolarHBondContact N-O 3.18Å; D291-T304 PolarHBondContact O-N 3.04Å
305	L	95.6	Very high	90.6	Very high	1 Å²	1	64.2 Å²	64.2	1%	0.005	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	134.5	-173.6	-51.6	169.2	0	0	0	109.5	T262 L263 A265 V279 V289 V303 I307 L320 L333	T262-L305 CarbonylContact C-O 3.55Å; T262-L305 VanDerWaalsContact CA-O 3.23Å; T262-L305 WeakPolarHBondContact CA-O 3.21Å; L263-L305 HydrophobicContact CB-CB 4.3Å; L263-L305 HydrophobicContact CB-CD1 4.34Å; L263-L305 PolarHBondContact N-O 3.18Å; L263-L305 WeakPolarHBondContact O-CB 3.24Å; L263-L305 PolarHBondContact O-N 3.27Å; A265-L305 HydrophobicContact CB-CD1 4.29Å; V279-L305 HydrophobicContact CG2-CD2 3.84Å; V289-L305 HydrophobicContact CG2-CD2 4.01Å; V303-L305 HydrophobicContact CG1-CD2 3.72Å; V303-L305 HydrophobicContact CG1-CG 4.47Å; L305-I307 HydrophobicContact CB-CD1 4.37Å; L305-L320 HydrophobicContact CD1-CD1 3.4Å; L305-L333 HydrophobicContact CD2-CD1 3.25Å
306	E	93.7	Very high	90.7	Very high	83 Å²	83	65 Å²	65	39%	0.388	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	109.3	168	-81.9	174.7	-172.8	0	0	108.7	T260 G287 R288 A290	T260-E306 HydrophobicContact CG2-CB 4.19Å; G287-E306 CarbonylContact C-O 3.6Å; G287-E306 WeakPolarHBondContact CA-O 3.47Å; R288-E306 PolarHBondContact N-O 2.92Å; R288-E306 PolarHBondContact O-N 2.71Å; A290-E306 HydrophobicContact CB-CG 3.89Å
307	I	94	Very high	91	Very high	2 Å²	2	60.2 Å²	60.2	1%	0.01	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	137.5	177.2	-53.6	-56.5	0	0	0	108.9	T260 Y261 L263 V279 L305 I314	T260-I307 CarbonylContact C-O 3.59Å; T260-I307 WeakPolarHBondContact CA-O 3.41Å; T260-I307 WeakPolarHBondContact CB-O 3.48Å; Y261-I307 HydrophobicContact CD1-CB 4.21Å; Y261-I307 VanDerWaalsContact CD1-O 3.3Å; Y261-I307 WeakPolarHBondContact CD1-O 3.3Å; Y261-I307 HydrophobicContact CE1-CB 3.66Å; Y261-I307 HydrophobicContact CE1-CG2 3.66Å; Y261-I307 HydrophobicContact CE2-CB 4.43Å; Y261-I307 PolarHBondContact N-O 3.49Å; Y261-I307 PolarHBondContact O-N 3.37Å; L263-I307 HydrophobicContact CD1-CG1 3.98Å; L263-I307 HydrophobicContact CG-CG1 4.5Å; V279-I307 HydrophobicContact CB-CD1 4.1Å; V279-I307 HydrophobicContact CG1-CD1 3.83Å; V279-I307 HydrophobicContact CG2-CD1 4.33Å; L305-I307 HydrophobicContact CB-CD1 4.37Å; I307-I314 HydrophobicContact CG2-CD1 3.98Å
308	E	92.8	Very high	91.5	Very high	39 Å²	39	51.3 Å²	51.3	18%	0.182	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	135.3	179.8	-62.3	165.7	170	0	0	111.1	T260 V286 R310 Y311	T260-E308 HydrophobicContact CG2-CG 4.46Å; V286-E308 WeakPolarHBondContact O-CG 3.11Å; V286-E308 PolarHBondContact O-N 3.3Å; E308-R310 HydrophobicContact CB-CG 4.02Å; E308-R310 PolarHBondContact O-N 3Å; E308-R310 IonicContact OE1-NH2 2.92Å; E308-R310 IonicContact OE2-CZ 3.64Å; E308-R310 IonicContact OE2-NE 2.72Å; E308-R310 PolarHBondContact OE2-NE 3.28Å; E308-R310 IonicContact OE2-NH1 3.95Å; E308-R310 IonicContact OE2-NH2 3.86Å; E308-R310 PolarHBondContact OE2-NH2 2.97Å; E308-Y311 HydrophobicContact CB-CD2 4.06Å; E308-Y311 HydrophobicContact CB-CE2 4.5Å; E308-Y311 PolarHBondContact O-N 3.17Å; E308-Y311 WeakPolarHBondContact OE2-CE2 3.24Å
309	Q	89.4	Confident	91.8	Very high	82 Å²	82	48.1 Å²	48.1	38%	0.383	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-60.1	-23.5	-175.4	-159.5	72.2	9	0	0	113.2	P259 Y311 N312	P259-Q309 HydrophobicContact CB-CB 4.07Å; P259-Q309 HydrophobicContact CG-CB 3.91Å; P259-Q309 WeakPolarHBondContact O-CB 3.35Å; P259-Q309 PolarHBondContact O-N 2.82Å; Q309-Y311 PolarHBondContact O-N 3.47Å; Q309-N312 VanDerWaalsContact O-CB 3.32Å; Q309-N312 WeakPolarHBondContact O-CB 3.36Å; Q309-N312 PolarHBondContact O-N 3.43Å
310	R	89	Confident	92.1	Very high	128 Å²	128	39.8 Å²	39.8	48%	0.483	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-62.6	-18.7	173.7	67.9	-177.8	178.3	-163.7	6.1	112.9	E258 E308	E258-R310 VanDerWaalsContact CD-NH1 3.35Å; E258-R310 IonicContact OE1-CZ 3.81Å; E258-R310 IonicContact OE1-NH1 2.64Å; E258-R310 PolarHBondContact OE1-NH1 3.09Å; E258-R310 VanDerWaalsContact OE2-CD 3.3Å; E258-R310 WeakPolarHBondContact OE2-CD 3.39Å; E258-R310 IonicContact OE2-CZ 2.72Å; E258-R310 VanDerWaalsContact OE2-CZ 3.26Å; E258-R310 IonicContact OE2-NE 3.83Å; E258-R310 PolarHBondContact OE2-NE 2.74Å; E258-R310 IonicContact OE2-NH1 3.97Å; E258-R310 PolarHBondContact OE2-NH1 2.86Å; E308-R310 HydrophobicContact CB-CG 4.02Å; E308-R310 PolarHBondContact O-N 3Å; E308-R310 IonicContact OE1-NH2 2.92Å; E308-R310 IonicContact OE2-CZ 3.64Å; E308-R310 IonicContact OE2-NE 2.72Å; E308-R310 PolarHBondContact OE2-NE 3.28Å; E308-R310 IonicContact OE2-NH1 3.95Å; E308-R310 IonicContact OE2-NH2 3.86Å; E308-R310 PolarHBondContact OE2-NH2 2.97Å
311	Y	90.3	Very high	92.3	Very high	74 Å²	74	38.1 Å²	38.1	29%	0.29	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-110.2	44.1	176.2	-54.7	-61.1	0	0	0	111.5	Y261 V286 E308 Q309 H313 I314	Y261-Y311 PolarHBondContact OH-O 3.37Å; Y261-Y311 VanDerWaalsContact OH-O 3.12Å; V286-Y311 HydrophobicContact CB-CD2 3.5Å; V286-Y311 HydrophobicContact CB-CE2 3.72Å; V286-Y311 HydrophobicContact CB-CG 4.2Å; V286-Y311 HydrophobicContact CG1-CD1 4.47Å; V286-Y311 HydrophobicContact CG1-CD2 3.68Å; V286-Y311 HydrophobicContact CG1-CE1 4.39Å; V286-Y311 HydrophobicContact CG1-CE2 3.55Å; V286-Y311 HydrophobicContact CG1-CG 4.14Å; E308-Y311 HydrophobicContact CB-CD2 4.06Å; E308-Y311 HydrophobicContact CB-CE2 4.5Å; E308-Y311 PolarHBondContact O-N 3.17Å; E308-Y311 WeakPolarHBondContact OE2-CE2 3.24Å; Q309-Y311 PolarHBondContact O-N 3.47Å; Y311-H313 VanDerWaalsContact C-N 3.26Å; Y311-H313 PolarHBondContact O-N 2.8Å; Y311-I314 WeakPolarHBondContact O-CD1 3.35Å; Y311-I314 WeakPolarHBondContact O-CG1 3.43Å
312	N	87	Confident	92.3	Very high	89 Å²	89	38 Å²	38	48%	0.476	18%	0.175	S	C	.	.			trans	-78.2	3.1	-178.4	64.8	-10.6	0	0	0	115.6	Q309 I348	Q309-N312 VanDerWaalsContact O-CB 3.32Å; Q309-N312 WeakPolarHBondContact O-CB 3.36Å; Q309-N312 PolarHBondContact O-N 3.43Å; N312-I348 WeakPolarHBondContact O-CG2 3.03Å
313	H	88.8	Confident	92.2	Very high	97 Å²	97	38.2 Å²	38.2	45%	0.449	18%	0.176	S	C	.	.			trans	-109.3	52.9	-176	-156.5	85.3	0	0	0	111.7	Y311 E340 K452	Y311-H313 VanDerWaalsContact C-N 3.26Å; Y311-H313 PolarHBondContact O-N 2.8Å; H313-E340 IonicContact CD2-OE2 3.99Å; H313-E340 IonicContact CE1-OE1 2.92Å; H313-E340 IonicContact CE1-OE2 3.34Å; H313-E340 IonicContact NE2-OE1 3.08Å; H313-E340 IonicContact NE2-OE2 2.72Å; H313-E340 PolarHBondContact NE2-OE2 3.36Å; H313-K452 PolarHBondContact NE2-NZ 2.94Å
314	I	92	Very high	91.8	Very high	6 Å²	6	41.4 Å²	41.4	3%	0.031	20%	0.196	C	C	.	.			trans	-100.6	118	-179.4	-58.4	175.5	0	0	0	108.8	Y261 I307 Y311 S318 L335 L349	Y261-I314 VanDerWaalsContact OH-CD1 3.31Å; Y261-I314 WeakPolarHBondContact OH-CD1 3.5Å; I307-I314 HydrophobicContact CG2-CD1 3.98Å; Y311-I314 WeakPolarHBondContact O-CD1 3.35Å; Y311-I314 WeakPolarHBondContact O-CG1 3.43Å; I314-S318 WeakPolarHBondContact CG2-OG 3.32Å; I314-L335 HydrophobicContact CD1-CD2 3.61Å; I314-L335 HydrophobicContact CG2-CD2 4.13Å; I314-L349 HydrophobicContact CG2-CD1 3.98Å; I314-L349 WeakPolarHBondContact O-CB 3.47Å; I314-L349 PolarHBondContact O-N 3.15Å
315	P	92.4	Very high	91.2	Very high	4 Å²	4	43.7 Å²	43.7	3%	0.026	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-65.8	151.6	176.6	-21	33.4	0	0	0	112.8	T317 S318 F339 E340 A347 I348	P315-T317 PolarHBondContact O-N 2.84Å; P315-S318 WeakPolarHBondContact O-CB 3.35Å; P315-S318 PolarHBondContact O-N 3.21Å; P315-S318 PolarHBondContact O-OG 2.75Å; P315-F339 WeakPolarHBondContact CB-O 3.18Å; P315-E340 HydrophobicContact CG-CB 4.22Å; P315-A347 CarbonylContact C-O 3.52Å; P315-A347 WeakPolarHBondContact CA-O 3.38Å; P315-I348 HydrophobicContact CG-CD1 4.29Å
316	D	91.3	Very high	90.6	Very high	55 Å²	55	46.8 Å²	46.8	29%	0.294	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-18.8	173.9	68.5	-24.5	0	0	0	113.8	S318 T346 A347 L349	D316-S318 PolarHBondContact O-N 3.22Å; D316-T346 WeakPolarHBondContact OD1-CA 3.43Å; D316-A347 WeakPolarHBondContact CB-O 3.3Å; D316-A347 VanDerWaalsContact CG-N 3.28Å; D316-A347 PolarHBondContact N-O 2.95Å; D316-A347 PolarHBondContact OD1-N 3.17Å; D316-A347 VanDerWaalsContact OD1-O 3.07Å; D316-A347 PolarHBondContact OD2-N 3.36Å; D316-L349 HydrophobicContact CB-CD2 3.9Å; D316-L349 HydrophobicContact CB-CG 4.29Å
317	T	91.3	Very high	89.6	Confident	4 Å²	4	50.9 Å²	50.9	3%	0.025	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-2	170.8	64.3	0	0	0	0	113.6	P315 G338 F339 T346 Y441 L445	P315-T317 PolarHBondContact O-N 2.84Å; T317-G338 WeakPolarHBondContact OG1-CA 3.07Å; T317-F339 HydrophobicContact CG2-CD1 4.42Å; T317-F339 HydrophobicContact CG2-CE1 3.99Å; T317-F339 HydrophobicContact CG2-CZ 4.15Å; T317-F339 PolarHBondContact OG1-N 2.78Å; T317-F339 PolarHBondContact OG1-O 2.92Å; T317-T346 HydrophobicContact CG2-CG2 3.41Å; T317-T346 VanDerWaalsContact CG2-CG2 3.41Å; T317-Y441 HydrophobicContact CG2-CE2 3.78Å; T317-L445 WeakPolarHBondContact O-CD2 3.42Å
318	S	93.3	Very high	88.5	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.311	C	S	.	.			trans	-71.4	144.6	176	-54.4	0	0	0	0	110.9	I314 P315 D316 N336 G338	I314-S318 WeakPolarHBondContact CG2-OG 3.32Å; P315-S318 WeakPolarHBondContact O-CB 3.35Å; P315-S318 PolarHBondContact O-N 3.21Å; P315-S318 PolarHBondContact O-OG 2.75Å; D316-S318 PolarHBondContact O-N 3.22Å; S318-N336 VanDerWaalsContact CA-O 3.26Å; S318-N336 WeakPolarHBondContact CA-O 3.43Å; S318-N336 WeakPolarHBondContact CB-O 3.36Å; S318-G338 PolarHBondContact OG-N 3.41Å; S318-G338 VanDerWaalsContact OG-N 3.07Å
319	S	91.8	Very high	87.8	Confident	10 Å²	10	58.9 Å²	58.9	7%	0.07	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	147.6	178.5	59.5	0	0	0	0	111.8	L335 N336 D357	S319-L335 WeakPolarHBondContact O-CA 3.3Å; S319-N336 PolarHBondContact N-O 3.37Å; S319-N336 PolarHBondContact O-N 3.43Å; S319-N336 PolarHBondContact OG-ND2 3.35Å; S319-N336 VanDerWaalsContact OG-ND2 3.15Å; S319-D357 CarbonylContact C-O 3.57Å; S319-D357 VanDerWaalsContact CA-O 3.27Å; S319-D357 WeakPolarHBondContact CA-O 3.36Å; S319-D357 VanDerWaalsContact CB-CG 3.5Å; S319-D357 WeakPolarHBondContact CB-OD1 3.42Å
320	L	93.9	Very high	87.7	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	125	172.5	-82.7	166.9	0	0	0	110.3	A265 F267 V279 L305 L333 A334 L335 I355 D357 T358 K359	A265-L320 HydrophobicContact CB-CD1 3.68Å; F267-L320 HydrophobicContact CZ-CB 4.03Å; V279-L320 HydrophobicContact CG1-CD2 4.23Å; L305-L320 HydrophobicContact CD1-CD1 3.4Å; L320-L333 HydrophobicContact CD2-CB 4.12Å; L320-L333 HydrophobicContact CD2-CD2 4.49Å; L320-A334 WeakPolarHBondContact CA-O 3.19Å; L320-L335 HydrophobicContact CD2-CB 3.95Å; L320-L335 HydrophobicContact CD2-CD1 3.81Å; L320-L335 HydrophobicContact CD2-CG 4.48Å; L320-L335 HydrophobicContact CG-CD1 3.91Å; L320-I355 HydrophobicContact CB-CG2 4.41Å; L320-I355 HydrophobicContact CD1-CB 3.96Å; L320-I355 HydrophobicContact CD1-CD1 3.37Å; L320-I355 HydrophobicContact CD1-CG1 4.23Å; L320-I355 HydrophobicContact CD1-CG2 3.95Å; L320-I355 HydrophobicContact CG-CD1 3.91Å; L320-I355 HydrophobicContact CG-CG2 4.17Å; L320-D357 PolarHBondContact N-O 2.79Å; L320-T358 CarbonylContact O-C 3.43Å; L320-T358 WeakPolarHBondContact O-CA 3.1Å; L320-K359 PolarHBondContact O-N 3.33Å
321	S	92.6	Very high	87.9	Confident	8 Å²	8	55.6 Å²	55.6	6%	0.056	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	132.5	176.8	-48.2	0	0	0	0	110.7	R323 A334 N336	S321-R323 PolarHBondContact O-N 3.35Å; S321-A334 PolarHBondContact N-O 3.35Å; S321-A334 PolarHBondContact O-N 3.37Å; S321-N336 PolarHBondContact OG-ND2 3.1Å
322	I	93.2	Very high	88	Confident	14 Å²	14	54.5 Å²	54.5	7%	0.072	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	123.3	169.9	-59	172	0	0	0	108.4	F267 I270 Q331 Y332 L333 K359 A361	F267-I322 HydrophobicContact CB-CD1 4.4Å; F267-I322 HydrophobicContact CD1-CD1 3.67Å; F267-I322 HydrophobicContact CD1-CG1 4.03Å; F267-I322 HydrophobicContact CD2-CD1 4.37Å; F267-I322 HydrophobicContact CE1-CD1 3.95Å; F267-I322 HydrophobicContact CE1-CG1 3.81Å; F267-I322 HydrophobicContact CG-CD1 3.89Å; F267-I322 HydrophobicContact CZ-CD1 4.43Å; F267-I322 HydrophobicContact CZ-CG1 4.24Å; I270-I322 HydrophobicContact CB-CD1 4.39Å; I270-I322 HydrophobicContact CG2-CD1 4.5Å; I322-Q331 HydrophobicContact CG2-CB 4.01Å; I322-Q331 HydrophobicContact CG2-CG 4.32Å; I322-Y332 WeakPolarHBondContact CA-O 3.11Å; I322-L333 HydrophobicContact CG1-CD2 3.55Å; I322-K359 PolarHBondContact N-O 3.46Å; I322-A361 HydrophobicContact CB-CB 4.08Å; I322-A361 HydrophobicContact CD1-CB 4.35Å; I322-A361 HydrophobicContact CG2-CB 3.73Å
323	R	90.2	Very high	88.4	Confident	84 Å²	84	50.3 Å²	50.3	32%	0.317	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	148.5	179.6	-65.1	-169.9	-176.8	-173.7	5.2	110.6	S321 Q331 Y332 A334	S321-R323 PolarHBondContact O-N 3.35Å; R323-Q331 CarbonylContact O-C 3.48Å; R323-Q331 VanDerWaalsContact O-CA 3.3Å; R323-Q331 WeakPolarHBondContact O-CA 3.37Å; R323-Y332 HydrophobicContact CB-CD1 4.28Å; R323-Y332 HydrophobicContact CB-CE1 3.65Å; R323-Y332 HydrophobicContact CB-CE2 4.42Å; R323-Y332 PolarHBondContact N-O 3.03Å; R323-Y332 WeakPolarHBondContact O-CD1 3.43Å; R323-Y332 PolarHBondContact O-N 3.3Å; R323-A334 HydrophobicContact CG-CB 4.14Å
324	T	88.7	Confident	88.7	Confident	67 Å²	67	46 Å²	46	41%	0.411	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	134.2	174.4	-53	0	0	0	0	109.7	G326 G329	T324-G326 PolarHBondContact O-N 3.48Å; T324-G329 VanDerWaalsContact CG2-O 3.26Å; T324-G329 WeakPolarHBondContact CG2-O 3.47Å
325	S	84.9	Confident	88.8	Confident	71 Å²	71	45.8 Å²	45.8	50%	0.497	26%	0.263	S	S	.	.	S	Bend	trans	-73.3	105.1	173.6	-168	0	0	0	0	110.2	G329 E330	S325-G329 WeakPolarHBondContact O-CA 3.22Å; S325-G329 PolarHBondContact O-N 2.97Å; S325-E330 WeakPolarHBondContact CB-O 3.46Å; S325-E330 PolarHBondContact N-O 3.36Å
326	G	81.2	Confident	88.7	Confident	66 Å²	66	46.9 Å²	46.9	68%	0.68	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	-156.8	-173.7	0	0	0	0	0	112.8	T324	T324-G326 PolarHBondContact O-N 3.48Å
327	L	74.1	Confident	88.6	Confident	169 Å²	169	45.9 Å²	45.9	89%	0.885	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-29.1	-174.7	-167.6	70.5	0	0	0	113.9
328	L	71.6	Confident	88.5	Confident	172 Å²	172	45.9 Å²	45.9	90%	0.901	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.2	7.7	-173.3	-72.7	166.7	0	0	0	113.2
329	G	77.6	Confident	88.3	Confident	36 Å²	36	46 Å²	46	37%	0.371	27%	0.267	S	S	.	.	S	Bend	trans	-84.7	-178.1	-173	0	0	0	0	0	113.9	T324 S325	T324-G329 VanDerWaalsContact CG2-O 3.26Å; T324-G329 WeakPolarHBondContact CG2-O 3.47Å; S325-G329 WeakPolarHBondContact O-CA 3.22Å; S325-G329 PolarHBondContact O-N 2.97Å
330	E	87.2	Confident	88.1	Confident	112 Å²	112	48.2 Å²	48.2	52%	0.523	28%	0.275	S	S	.	.			trans	-69.5	150.5	-179.9	-55.4	-169.1	163	0	0	111.2	K274 S325	K274-E330 WeakPolarHBondContact CE-OE2 3.35Å; K274-E330 IonicContact NZ-OE1 2.63Å; K274-E330 PolarHBondContact NZ-OE1 2.6Å; K274-E330 IonicContact NZ-OE2 3.97Å; K274-E330 PolarHBondContact NZ-OE2 3Å; S325-E330 WeakPolarHBondContact CB-O 3.46Å; S325-E330 PolarHBondContact N-O 3.36Å
331	Q	91.8	Very high	87.7	Confident	30 Å²	30	48.8 Å²	48.8	14%	0.14	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	141.9	172.8	-69.5	-174.2	-2.8	0	0	110.8	I270 G271 G272 I322 R323	I270-Q331 PolarHBondContact O-OE1 2.97Å; G271-Q331 VanDerWaalsContact CA-OE1 3.26Å; G272-Q331 VanDerWaalsContact N-CD 3.28Å; I322-Q331 HydrophobicContact CG2-CB 4.01Å; I322-Q331 HydrophobicContact CG2-CG 4.32Å; R323-Q331 CarbonylContact O-C 3.48Å; R323-Q331 VanDerWaalsContact O-CA 3.3Å; R323-Q331 WeakPolarHBondContact O-CA 3.37Å
332	Y	93.7	Very high	87.2	Confident	51 Å²	51	53.1 Å²	53.1	20%	0.2	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	163.9	179.3	75.2	-84.1	0	0	0	110.3	P278 S280 I322 R323 A334	P278-Y332 WeakPolarHBondContact O-CB 3.47Å; S280-Y332 WeakPolarHBondContact OG-CD2 3.47Å; S280-Y332 WeakPolarHBondContact OG-CE2 3.42Å; I322-Y332 WeakPolarHBondContact CA-O 3.11Å; R323-Y332 HydrophobicContact CB-CD1 4.28Å; R323-Y332 HydrophobicContact CB-CE1 3.65Å; R323-Y332 HydrophobicContact CB-CE2 4.42Å; R323-Y332 PolarHBondContact N-O 3.03Å; R323-Y332 WeakPolarHBondContact O-CD1 3.43Å; R323-Y332 PolarHBondContact O-N 3.3Å; Y332-A334 HydrophobicContact CE2-CB 3.9Å
333	L	95.8	Very high	86.5	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	117.8	175.4	-75	171.6	0	0	0	110.1	F267 L273 P278 V279 S280 V289 V303 L305 L320 I322	F267-L333 HydrophobicContact CE1-CD2 4.15Å; F267-L333 HydrophobicContact CE2-CD2 4.1Å; F267-L333 HydrophobicContact CZ-CD2 3.49Å; F267-L333 VanDerWaalsContact CZ-CD2 3.49Å; L273-L333 HydrophobicContact CD1-CG 4.18Å; L273-L333 HydrophobicContact CD2-CD1 4.11Å; L273-L333 HydrophobicContact CD2-CD2 4.48Å; L273-L333 HydrophobicContact CD2-CG 4.17Å; P278-L333 PolarHBondContact O-N 2.98Å; V279-L333 CarbonylContact C-O 3.59Å; V279-L333 WeakPolarHBondContact CA-O 3.32Å; V279-L333 HydrophobicContact CB-CB 4.44Å; V279-L333 HydrophobicContact CG1-CB 4.24Å; V279-L333 HydrophobicContact CG2-CB 4.16Å; V279-L333 HydrophobicContact CG2-CD1 4.18Å; S280-L333 PolarHBondContact N-O 2.83Å; V289-L333 HydrophobicContact CG2-CD1 3.68Å; V289-L333 HydrophobicContact CG2-CG 4.49Å; V303-L333 HydrophobicContact CG1-CD1 4.24Å; L305-L333 HydrophobicContact CD2-CD1 3.25Å; L320-L333 HydrophobicContact CD2-CB 4.12Å; L320-L333 HydrophobicContact CD2-CD2 4.49Å; I322-L333 HydrophobicContact CG1-CD2 3.55Å
334	A	93.5	Very high	86.1	Confident	6 Å²	6	56.6 Å²	56.6	5%	0.05	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	113.9	168.4	0	0	0	0	0	108.8	S280 L320 S321 R323 Y332	S280-A334 CarbonylContact O-C 3.53Å; S280-A334 WeakPolarHBondContact O-CA 3.47Å; L320-A334 WeakPolarHBondContact CA-O 3.19Å; S321-A334 PolarHBondContact N-O 3.35Å; S321-A334 PolarHBondContact O-N 3.37Å; R323-A334 HydrophobicContact CG-CB 4.14Å; Y332-A334 HydrophobicContact CE2-CB 3.9Å
335	L	94.3	Very high	85.7	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.01	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	110.3	171.9	179.8	68.8	0	0	0	108.6	V279 S280 I281 I314 S319 L320 I355	V279-L335 HydrophobicContact CG1-CB 4.24Å; S280-L335 PolarHBondContact O-N 2.84Å; I281-L335 HydrophobicContact CD1-CD2 3.88Å; I281-L335 HydrophobicContact CG1-CB 3.93Å; I281-L335 HydrophobicContact CG1-CD2 3.84Å; I281-L335 HydrophobicContact CG1-CG 4.1Å; I314-L335 HydrophobicContact CD1-CD2 3.61Å; I314-L335 HydrophobicContact CG2-CD2 4.13Å; S319-L335 WeakPolarHBondContact O-CA 3.3Å; L320-L335 HydrophobicContact CD2-CB 3.95Å; L320-L335 HydrophobicContact CD2-CD1 3.81Å; L320-L335 HydrophobicContact CD2-CG 4.48Å; L320-L335 HydrophobicContact CG-CD1 3.91Å; L335-I355 HydrophobicContact CD1-CD1 4.15Å
336	N	90	Very high	85.7	Confident	27 Å²	27	51.7 Å²	51.7	14%	0.144	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	112.7	172.8	-47.9	-57.9	0	0	0	107.8	S318 S319 S321 G338	S318-N336 VanDerWaalsContact CA-O 3.26Å; S318-N336 WeakPolarHBondContact CA-O 3.43Å; S318-N336 WeakPolarHBondContact CB-O 3.36Å; S319-N336 PolarHBondContact N-O 3.37Å; S319-N336 PolarHBondContact O-N 3.43Å; S319-N336 PolarHBondContact OG-ND2 3.35Å; S319-N336 VanDerWaalsContact OG-ND2 3.15Å; S321-N336 PolarHBondContact OG-ND2 3.1Å; N336-G338 PolarHBondContact O-N 2.88Å
337	V	90.7	Very high	86.1	Confident	34 Å²	34	51 Å²	51	21%	0.206	29%	0.286	C	S	.	.			trans	-66.2	125	-179.9	-177.3	0	0	0	0	109.2	I281	I281-V337 HydrophobicContact CD1-CG2 3.73Å; I281-V337 HydrophobicContact CG1-CG2 4.19Å; I281-V337 HydrophobicContact CG2-CG2 3.71Å
338	G	88.3	Confident	86.8	Confident	5 Å²	5	44.9 Å²	44.9	5%	0.052	25%	0.253	C	S	.	.			trans	-78.1	-161.1	176	0	0	0	0	0	112.7	T317 S318 N336	T317-G338 WeakPolarHBondContact OG1-CA 3.07Å; S318-G338 PolarHBondContact OG-N 3.41Å; S318-G338 VanDerWaalsContact OG-N 3.07Å; N336-G338 PolarHBondContact O-N 2.88Å
339	F	89.9	Confident	87.8	Confident	3 Å²	3	37.1 Å²	37.1	1%	0.013	21%	0.213	C	C	.	.			trans	-107.7	161.1	175.7	74	-85.2	0	0	0	110.7	P315 T317 D341 L344 T346 Y441 A444 L445 Y451	P315-F339 WeakPolarHBondContact CB-O 3.18Å; T317-F339 HydrophobicContact CG2-CD1 4.42Å; T317-F339 HydrophobicContact CG2-CE1 3.99Å; T317-F339 HydrophobicContact CG2-CZ 4.15Å; T317-F339 PolarHBondContact OG1-N 2.78Å; T317-F339 PolarHBondContact OG1-O 2.92Å; F339-D341 HydrophobicContact CD2-CB 4.08Å; F339-D341 HydrophobicContact CE2-CB 3.96Å; F339-L344 HydrophobicContact CD2-CD1 4.4Å; F339-L344 HydrophobicContact CE2-CB 3.89Å; F339-L344 HydrophobicContact CE2-CD1 3.49Å; F339-L344 VanDerWaalsContact CE2-CD1 3.49Å; F339-L344 HydrophobicContact CE2-CG 4.31Å; F339-L344 HydrophobicContact CZ-CB 4.16Å; F339-L344 HydrophobicContact CZ-CD1 3.87Å; F339-T346 HydrophobicContact CD2-CG2 4.13Å; F339-T346 HydrophobicContact CE2-CG2 3.49Å; F339-T346 VanDerWaalsContact CE2-CG2 3.49Å; F339-T346 HydrophobicContact CZ-CG2 3.84Å; F339-Y441 AromaticContact CE1-CD2 3.8Å; F339-Y441 HydrophobicContact CE1-CD2 3.8Å; F339-Y441 AromaticContact CE1-CE2 3.7Å; F339-Y441 HydrophobicContact CE1-CE2 3.7Å; F339-Y441 HydrophobicContact CE1-CG 4.43Å; F339-Y441 AromaticContact CZ-CD2 3.44Å; F339-Y441 HydrophobicContact CZ-CD2 3.44Å; F339-Y441 VanDerWaalsContact CZ-CD2 3.44Å; F339-Y441 AromaticContact CZ-CE2 3.58Å; F339-Y441 HydrophobicContact CZ-CE2 3.58Å; F339-Y441 HydrophobicContact CZ-CG 4.33Å; F339-A444 VanDerWaalsContact CD1-C 3.48Å; F339-A444 HydrophobicContact CD1-CB 3.57Å; F339-A444 HydrophobicContact CD2-CB 3.78Å; F339-A444 HydrophobicContact CE1-CB 3.58Å; F339-A444 HydrophobicContact CE2-CB 3.8Å; F339-A444 HydrophobicContact CG-CB 3.68Å; F339-A444 HydrophobicContact CZ-CB 3.68Å; F339-L445 HydrophobicContact CD1-CD2 3.95Å; F339-L445 HydrophobicContact CD1-CG 4.16Å; F339-L445 HydrophobicContact CE1-CD2 3.98Å; F339-L445 HydrophobicContact CE1-CG 3.92Å; F339-Y451 HydrophobicContact CB-CD1 4.1Å; F339-Y451 HydrophobicContact CB-CG 3.88Å; F339-Y451 HydrophobicContact CD2-CD1 4.09Å; F339-Y451 HydrophobicContact CD2-CE1 4.19Å; F339-Y451 HydrophobicContact CD2-CG 4.36Å; F339-Y451 HydrophobicContact CG-CG 4.4Å
340	E	86.3	Confident	88.5	Confident	55 Å²	55	42.4 Å²	42.4	26%	0.257	23%	0.225	S	C	.	.			trans	-121.2	116.6	175.6	-177.8	-174	178.1	0	0	108.7	H313 P315 I348 K452	H313-E340 IonicContact CD2-OE2 3.99Å; H313-E340 IonicContact CE1-OE1 2.92Å; H313-E340 IonicContact CE1-OE2 3.34Å; H313-E340 IonicContact NE2-OE1 3.08Å; H313-E340 IonicContact NE2-OE2 2.72Å; H313-E340 PolarHBondContact NE2-OE2 3.36Å; P315-E340 HydrophobicContact CG-CB 4.22Å; E340-I348 HydrophobicContact CG-CD1 4.34Å; E340-K452 WeakPolarHBondContact OE2-CE 3.29Å; E340-K452 IonicContact OE2-NZ 2.82Å; E340-K452 PolarHBondContact OE2-NZ 2.89Å
341	D	85.8	Confident	88.8	Confident	13 Å²	13	42.2 Å²	42.2	7%	0.07	23%	0.228	C	C	.	.			trans	-150.3	109.3	169.4	-158.1	-31.4	0	0	0	110.7	F339 E343 L344 G345 T346 Y451 R459	F339-D341 HydrophobicContact CD2-CB 4.08Å; F339-D341 HydrophobicContact CE2-CB 3.96Å; D341-E343 PolarHBondContact O-N 3.46Å; D341-E343 VanDerWaalsContact O-N 3.17Å; D341-E343 VanDerWaalsContact OD1-CB 3.3Å; D341-E343 WeakPolarHBondContact OD1-CB 3.39Å; D341-E343 PolarHBondContact OD1-N 3.18Å; D341-L344 HydrophobicContact CB-CB 4.17Å; D341-L344 HydrophobicContact CB-CD1 4.15Å; D341-L344 HydrophobicContact CB-CG 4.22Å; D341-L344 PolarHBondContact O-N 3.19Å; D341-G345 PolarHBondContact O-N 3.46Å; D341-T346 PolarHBondContact N-OG1 3.19Å; D341-T346 WeakPolarHBondContact O-CG2 3.31Å; D341-T346 PolarHBondContact O-N 3.25Å; D341-T346 PolarHBondContact O-OG1 3.22Å; D341-T346 VanDerWaalsContact O-OG1 3.04Å; D341-Y451 HydrophobicContact CB-CE1 3.66Å; D341-Y451 VanDerWaalsContact OD2-CE1 3.24Å; D341-Y451 WeakPolarHBondContact OD2-CE1 3.22Å; D341-Y451 VanDerWaalsContact OD2-CZ 3.26Å; D341-Y451 PolarHBondContact OD2-OH 2.86Å; D341-R459 IonicContact OD2-NH1 3.51Å
342	P	81.9	Confident	88.7	Confident	99 Å²	99	42.6 Å²	42.6	64%	0.643	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-55	-29.9	173	-25.3	35.1	0	0	0	113.2	L344 G345 Q526	P342-L344 PolarHBondContact O-N 2.9Å; P342-G345 PolarHBondContact O-N 3.13Å; P342-G345 VanDerWaalsContact O-N 3.11Å; P342-Q526 PolarHBondContact O-NE2 3.23Å
343	E	79.9	Confident	88.7	Confident	152 Å²	152	43.2 Å²	43.2	71%	0.71	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-70.7	-13.6	176.2	-61.1	-172.7	176.1	0	0	113.3	D341 Q526	D341-E343 PolarHBondContact O-N 3.46Å; D341-E343 VanDerWaalsContact O-N 3.17Å; D341-E343 VanDerWaalsContact OD1-CB 3.3Å; D341-E343 WeakPolarHBondContact OD1-CB 3.39Å; D341-E343 PolarHBondContact OD1-N 3.18Å; E343-Q526 PolarHBondContact O-NE2 3.15Å; E343-Q526 PolarHBondContact O-OE1 3.37Å
344	L	81.6	Confident	88.5	Confident	19 Å²	19	45.4 Å²	45.4	10%	0.099	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-108.3	9.4	172.3	-64	172.9	0	0	0	112.4	F339 D341 P342 K440 A444	F339-L344 HydrophobicContact CD2-CD1 4.4Å; F339-L344 HydrophobicContact CE2-CB 3.89Å; F339-L344 HydrophobicContact CE2-CD1 3.49Å; F339-L344 VanDerWaalsContact CE2-CD1 3.49Å; F339-L344 HydrophobicContact CE2-CG 4.31Å; F339-L344 HydrophobicContact CZ-CB 4.16Å; F339-L344 HydrophobicContact CZ-CD1 3.87Å; D341-L344 HydrophobicContact CB-CB 4.17Å; D341-L344 HydrophobicContact CB-CD1 4.15Å; D341-L344 HydrophobicContact CB-CG 4.22Å; D341-L344 PolarHBondContact O-N 3.19Å; P342-L344 PolarHBondContact O-N 2.9Å; L344-K440 HydrophobicContact CD2-CB 4.09Å; L344-A444 HydrophobicContact CD1-CB 4.04Å
345	G	80.7	Confident	88.5	Confident	18 Å²	18	45.3 Å²	45.3	19%	0.186	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.3	33.1	174.8	0	0	0	0	0	114.5	D341 P342	D341-G345 PolarHBondContact O-N 3.46Å; P342-G345 PolarHBondContact O-N 3.13Å; P342-G345 VanDerWaalsContact O-N 3.11Å
346	T	85.2	Confident	88.2	Confident	16 Å²	16	49 Å²	49	10%	0.098	28%	0.276	C	S	.	.			trans	-89.3	150.4	178.2	70	0	0	0	0	112.4	D316 T317 F339 D341	D316-T346 WeakPolarHBondContact OD1-CA 3.43Å; T317-T346 HydrophobicContact CG2-CG2 3.41Å; T317-T346 VanDerWaalsContact CG2-CG2 3.41Å; F339-T346 HydrophobicContact CD2-CG2 4.13Å; F339-T346 HydrophobicContact CE2-CG2 3.49Å; F339-T346 VanDerWaalsContact CE2-CG2 3.49Å; F339-T346 HydrophobicContact CZ-CG2 3.84Å; D341-T346 PolarHBondContact N-OG1 3.19Å; D341-T346 WeakPolarHBondContact O-CG2 3.31Å; D341-T346 PolarHBondContact O-N 3.25Å; D341-T346 PolarHBondContact O-OG1 3.22Å; D341-T346 VanDerWaalsContact O-OG1 3.04Å
347	A	87.8	Confident	88.2	Confident	53 Å²	53	48.3 Å²	48.3	44%	0.438	27%	0.272	S	S	.	.			trans	-130.4	163	173.1	0	0	0	0	0	111.7	P315 D316	P315-A347 CarbonylContact C-O 3.52Å; P315-A347 WeakPolarHBondContact CA-O 3.38Å; D316-A347 WeakPolarHBondContact CB-O 3.3Å; D316-A347 VanDerWaalsContact CG-N 3.28Å; D316-A347 PolarHBondContact N-O 2.95Å; D316-A347 PolarHBondContact OD1-N 3.17Å; D316-A347 VanDerWaalsContact OD1-O 3.07Å; D316-A347 PolarHBondContact OD2-N 3.36Å
348	I	90.3	Very high	88.2	Confident	39 Å²	39	48.6 Å²	48.6	20%	0.2	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-89	131.4	170.8	-59.8	-59.8	0	0	0	109	N312 P315 E340	N312-I348 WeakPolarHBondContact O-CG2 3.03Å; P315-I348 HydrophobicContact CG-CD1 4.29Å; E340-I348 HydrophobicContact CG-CD1 4.34Å
349	L	92.1	Very high	88.3	Confident	10 Å²	10	50 Å²	50	5%	0.052	28%	0.278	C	S	.	.			trans	-65	132.3	177.4	-66	170.4	0	0	0	110.7	L263 I314 D316 D353 I355	L263-L349 HydrophobicContact CD1-CD1 4.15Å; L263-L349 HydrophobicContact CD2-CB 4.07Å; I314-L349 HydrophobicContact CG2-CD1 3.98Å; I314-L349 WeakPolarHBondContact O-CB 3.47Å; I314-L349 PolarHBondContact O-N 3.15Å; D316-L349 HydrophobicContact CB-CD2 3.9Å; D316-L349 HydrophobicContact CB-CG 4.29Å; L349-D353 HydrophobicContact CD2-CB 3.92Å; L349-I355 HydrophobicContact CD1-CD1 3.93Å; L349-I355 HydrophobicContact CD1-CG1 3.55Å; L349-I355 HydrophobicContact CD2-CG1 4.48Å
350	K	91.3	Very high	88.2	Confident	147 Å²	147	51.4 Å²	51.4	64%	0.639	29%	0.289	S	S	*	.			trans	-113.5	170.3	178.3	-63.1	177.4	-174.8	173.3	0	110.8	L263 G352 D353	L263-K350 VanDerWaalsContact CD2-O 3.27Å; L263-K350 WeakPolarHBondContact CD2-O 3.31Å; K350-G352 PolarHBondContact O-N 3.3Å; K350-D353 PolarHBondContact N-OD2 2.89Å; K350-D353 VanDerWaalsContact O-CB 3.32Å; K350-D353 WeakPolarHBondContact O-CB 3.44Å; K350-D353 PolarHBondContact O-N 2.96Å
351	D	93.1	Very high	88.1	Confident	108 Å²	108	49.3 Å²	49.3	58%	0.578	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	124.2	173.6	-172	44.8	0	0	0	111	T262	T262-D351 WeakPolarHBondContact CA-OD1 3.4Å; T262-D351 WeakPolarHBondContact CB-OD1 3.49Å; T262-D351 PolarHBondContact N-OD1 3.45Å
352	G	91.7	Very high	87.8	Confident	37 Å²	37	53.5 Å²	53.5	38%	0.381	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.1	-9.1	-177.3	0	0	0	0	0	115.5	T262 K350	T262-G352 PolarHBondContact O-N 3.21Å; K350-G352 PolarHBondContact O-N 3.3Å
353	D	93.5	Very high	87.6	Confident	65 Å²	65	50.6 Å²	50.6	35%	0.348	28%	0.281	S	S	.	.			trans	-71.1	156.6	-179.6	-71.8	-14.4	0	0	0	112.2	L263 Y264 L349 K350	L263-D353 WeakPolarHBondContact CA-O 3.38Å; L263-D353 HydrophobicContact CD2-CB 4.08Å; Y264-D353 PolarHBondContact N-O 2.9Å; L349-D353 HydrophobicContact CD2-CB 3.92Å; K350-D353 PolarHBondContact N-OD2 2.89Å; K350-D353 VanDerWaalsContact O-CB 3.32Å; K350-D353 WeakPolarHBondContact O-CB 3.44Å; K350-D353 PolarHBondContact O-N 2.96Å
354	T	91.6	Very high	87.3	Confident	45 Å²	45	48.5 Å²	48.5	28%	0.276	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	123.1	178.9	-57.1	0	0	0	0	110.3	Y264 Q356	Y264-T354 CarbonylContact O-C 3.55Å; Y264-T354 VanDerWaalsContact O-CA 3.24Å; Y264-T354 WeakPolarHBondContact O-CA 3.12Å; Y264-T354 WeakPolarHBondContact O-CG2 3.31Å; T354-Q356 PolarHBondContact O-N 2.69Å; T354-Q356 PolarHBondContact O-NE2 2.92Å
355	I	92.7	Very high	86.9	Confident	5 Å²	5	54 Å²	54	3%	0.026	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	119.1	171.3	-68.1	168.3	0	0	0	108.1	L263 Y264 L320 L335 L349	L263-I355 HydrophobicContact CD1-CD1 3.88Å; L263-I355 HydrophobicContact CD1-CG1 4.49Å; Y264-I355 PolarHBondContact O-N 2.78Å; L320-I355 HydrophobicContact CB-CG2 4.41Å; L320-I355 HydrophobicContact CD1-CB 3.96Å; L320-I355 HydrophobicContact CD1-CD1 3.37Å; L320-I355 HydrophobicContact CD1-CG1 4.23Å; L320-I355 HydrophobicContact CD1-CG2 3.95Å; L320-I355 HydrophobicContact CG-CD1 3.91Å; L320-I355 HydrophobicContact CG-CG2 4.17Å; L335-I355 HydrophobicContact CD1-CD1 4.15Å; L349-I355 HydrophobicContact CD1-CD1 3.93Å; L349-I355 HydrophobicContact CD1-CG1 3.55Å; L349-I355 HydrophobicContact CD2-CG1 4.48Å
356	Q	88.4	Confident	86.5	Confident	80 Å²	80	58 Å²	58	37%	0.374	32%	0.317	S	S	.	.			trans	-86.4	-39	-173.8	-58.1	-62.8	-36.4	0	0	112.1	T354 T358 I499	T354-Q356 PolarHBondContact O-N 2.69Å; T354-Q356 PolarHBondContact O-NE2 2.92Å; Q356-T358 PolarHBondContact O-N 3.29Å; Q356-T358 VanDerWaalsContact O-N 3.17Å; Q356-I499 HydrophobicContact CB-CD1 3.66Å; Q356-I499 HydrophobicContact CB-CG1 4.07Å
357	D	88.7	Confident	85.9	Confident	12 Å²	12	60.8 Å²	60.8	6%	0.064	33%	0.331	C	S	.	.			trans	-80.4	99.3	178.5	-168.6	-31.2	0	0	0	109.9	S319 L320 I499 Y533	S319-D357 CarbonylContact C-O 3.57Å; S319-D357 VanDerWaalsContact CA-O 3.27Å; S319-D357 WeakPolarHBondContact CA-O 3.36Å; S319-D357 VanDerWaalsContact CB-CG 3.5Å; S319-D357 WeakPolarHBondContact CB-OD1 3.42Å; L320-D357 PolarHBondContact N-O 2.79Å; D357-I499 HydrophobicContact CB-CD1 4.13Å; D357-Y533 PolarHBondContact OD2-OH 2.8Å
358	T	92	Very high	85.1	Confident	40 Å²	40	62.3 Å²	62.3	25%	0.245	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	136	-176.2	52.2	0	0	0	0	110.3	A265 T266 F267 L320 Q356	A265-T358 HydrophobicContact CB-CG2 3.9Å; T266-T358 WeakPolarHBondContact O-CB 3.16Å; T266-T358 WeakPolarHBondContact O-CG2 3.46Å; T266-T358 PolarHBondContact O-OG1 3.04Å; F267-T358 HydrophobicContact CE1-CG2 4.09Å; F267-T358 HydrophobicContact CZ-CG2 4.08Å; L320-T358 CarbonylContact O-C 3.43Å; L320-T358 WeakPolarHBondContact O-CA 3.1Å; Q356-T358 PolarHBondContact O-N 3.29Å; Q356-T358 VanDerWaalsContact O-N 3.17Å
359	K	89.7	Confident	83.8	Confident	34 Å²	34	61.5 Å²	61.5	15%	0.148	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	106.8	179.8	-58.8	-178.9	-174.4	178.3	0	108.6	L320 I322 D534 S541 T544	L320-K359 PolarHBondContact O-N 3.33Å; I322-K359 PolarHBondContact N-O 3.46Å; K359-D534 IonicContact NZ-OD2 3.83Å; K359-S541 PolarHBondContact NZ-OG 3.25Å; K359-T544 PolarHBondContact NZ-OG1 2.85Å
360	S	88.6	Confident	82.5	Confident	33 Å²	33	63.4 Å²	63.4	23%	0.231	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-61.3	160.1	-178.1	-60.7	0	0	0	0	112.8	D268 N269	D268-S360 PolarHBondContact N-OG 3.11Å; N269-S360 PolarHBondContact N-OG 3.33Å; N269-S360 WeakPolarHBondContact O-CB 3.4Å
361	A	83.6	Confident	81.3	Confident	11 Å²	11	65 Å²	65	9%	0.091	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-63.8	136.6	176.6	0	0	0	0	0	110.9	N269 I322	N269-A361 PolarHBondContact O-N 3.16Å; I322-A361 HydrophobicContact CB-CB 4.08Å; I322-A361 HydrophobicContact CD1-CB 4.35Å; I322-A361 HydrophobicContact CG2-CB 3.73Å
362	M	80.2	Confident	79.7	Confident	101 Å²	101	65.1 Å²	65.1	50%	0.498	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-79.6	123.4	168.2	-67.6	179.1	164	0	0	109.3	L367 G539	M362-L367 HydrophobicContact CB-CD1 4.33Å; M362-G539 WeakPolarHBondContact CE-O 3.3Å
363	V	76.1	Confident	78.4	Confident	37 Å²	37	71.8 Å²	71.8	22%	0.224	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-87.2	120.2	174.1	-178.4	0	0	0	0	107.6	N269 E365 D366 L367	N269-V363 WeakPolarHBondContact ND2-CG2 3.47Å; V363-E365 HydrophobicContact CG1-CB 4.01Å; V363-E365 WeakPolarHBondContact CG1-OE2 3.31Å; V363-E365 PolarHBondContact O-N 2.91Å; V363-D366 HydrophobicContact CB-CB 4.04Å; V363-D366 WeakPolarHBondContact CB-OD2 2.99Å; V363-D366 HydrophobicContact CG1-CB 4.44Å; V363-D366 WeakPolarHBondContact O-CB 3.33Å; V363-D366 PolarHBondContact O-N 3.41Å; V363-D366 VanDerWaalsContact O-N 3.08Å; V363-L367 PolarHBondContact O-N 3.25Å; V363-L367 VanDerWaalsContact O-N 3.12Å
364	L	74.4	Confident	76.4	Confident	109 Å²	109	70 Å²	70	57%	0.571	36%	0.36	S	S	*	.	H	α-helix	trans	-62.3	-35.2	-176.7	179.8	62.5	0	0	0	111.2	D366 L367 I368	L364-D366 VanDerWaalsContact C-N 3.31Å; L364-D366 PolarHBondContact O-N 3.43Å; L364-L367 PolarHBondContact O-N 3.17Å; L364-I368 HydrophobicContact CD1-CD1 4.18Å; L364-I368 HydrophobicContact CD1-CG1 4.31Å; L364-I368 HydrophobicContact CD2-CD1 4.35Å; L364-I368 HydrophobicContact CG-CD1 3.81Å; L364-I368 HydrophobicContact CG-CG1 4.36Å; L364-I368 VanDerWaalsContact O-CG1 3.3Å; L364-I368 WeakPolarHBondContact O-CG1 3.38Å; L364-I368 PolarHBondContact O-N 3.28Å
365	E	73.9	Confident	74.2	Confident	133 Å²	133	72.8 Å²	72.8	62%	0.621	38%	0.381	S	S	*	.	H	α-helix	trans	-63.1	-36.7	175.8	-62.6	75.1	-171.2	0	0	111.7	V363 G369	V363-E365 HydrophobicContact CG1-CB 4.01Å; V363-E365 WeakPolarHBondContact CG1-OE2 3.31Å; V363-E365 PolarHBondContact O-N 2.91Å; E365-G369 WeakPolarHBondContact O-CA 3.4Å; E365-G369 PolarHBondContact O-N 3.23Å
366	D	72.2	Confident	71.4	Confident	104 Å²	104	81.9 Å²	81.9	56%	0.556	42%	0.421	S	S	*	.	H	α-helix	trans	-70.2	-37.5	174.6	-70	-16.8	0	0	0	110.8	V363 L364 G369 Q370	V363-D366 HydrophobicContact CB-CB 4.04Å; V363-D366 WeakPolarHBondContact CB-OD2 2.99Å; V363-D366 HydrophobicContact CG1-CB 4.44Å; V363-D366 WeakPolarHBondContact O-CB 3.33Å; V363-D366 PolarHBondContact O-N 3.41Å; V363-D366 VanDerWaalsContact O-N 3.08Å; L364-D366 VanDerWaalsContact C-N 3.31Å; L364-D366 PolarHBondContact O-N 3.43Å; D366-G369 PolarHBondContact O-N 2.89Å; D366-Q370 WeakPolarHBondContact O-CB 3.39Å; D366-Q370 PolarHBondContact O-N 2.98Å
367	L	72.6	Confident	69	Low	74 Å²	74	81.2 Å²	81.2	39%	0.387	44%	0.435	S	S	.	.	H	α-helix	trans	-67.2	-45.1	175.9	-66.7	173.9	0	0	0	111.9	M362 V363 L364 Q370 F371	M362-L367 HydrophobicContact CB-CD1 4.33Å; V363-L367 PolarHBondContact O-N 3.25Å; V363-L367 VanDerWaalsContact O-N 3.12Å; L364-L367 PolarHBondContact O-N 3.17Å; L367-Q370 PolarHBondContact O-N 2.89Å; L367-F371 VanDerWaalsContact O-CB 3.31Å; L367-F371 WeakPolarHBondContact O-CB 3.36Å; L367-F371 PolarHBondContact O-N 3.24Å
368	I	70.4	Confident	66.3	Low	84 Å²	84	88.2 Å²	88.2	43%	0.431	47%	0.473	S	S	.	.	H	α-helix	trans	-66.6	-42.5	175.6	-66.1	168.2	0	0	0	109.7	L364 F371 L372	L364-I368 HydrophobicContact CD1-CD1 4.18Å; L364-I368 HydrophobicContact CD1-CG1 4.31Å; L364-I368 HydrophobicContact CD2-CD1 4.35Å; L364-I368 HydrophobicContact CG-CD1 3.81Å; L364-I368 HydrophobicContact CG-CG1 4.36Å; L364-I368 VanDerWaalsContact O-CG1 3.3Å; L364-I368 WeakPolarHBondContact O-CG1 3.38Å; L364-I368 PolarHBondContact O-N 3.28Å; I368-F371 PolarHBondContact O-N 2.93Å; I368-L372 HydrophobicContact CG2-CD1 3.6Å; I368-L372 HydrophobicContact CG2-CG 4.07Å; I368-L372 WeakPolarHBondContact O-CB 3.2Å; I368-L372 VanDerWaalsContact O-CG 3.25Å; I368-L372 WeakPolarHBondContact O-CG 3.19Å; I368-L372 PolarHBondContact O-N 2.84Å
369	G	62.8	Low	63.2	Low	23 Å²	23	93.6 Å²	93.6	24%	0.237	50%	0.5	C	S	.	.	H	α-helix	trans	-62.1	-42.1	176.1	0	0	0	0	0	111.8	E365 D366 L372 Y373	E365-G369 WeakPolarHBondContact O-CA 3.4Å; E365-G369 PolarHBondContact O-N 3.23Å; D366-G369 PolarHBondContact O-N 2.89Å; G369-L372 PolarHBondContact O-N 3.44Å; G369-Y373 WeakPolarHBondContact O-CA 3.3Å; G369-Y373 VanDerWaalsContact O-CB 3.27Å; G369-Y373 WeakPolarHBondContact O-CB 3.46Å; G369-Y373 PolarHBondContact O-N 3.46Å
370	Q	65.4	Low	60.2	Low	49 Å²	49	97.7 Å²	97.7	23%	0.229	52%	0.523	C	S	.	.	H	α-helix	trans	-65.6	-39.1	173.8	-173	173.8	-16.1	0	0	111.3	D366 L367 G374 R516 E538	D366-Q370 WeakPolarHBondContact O-CB 3.39Å; D366-Q370 PolarHBondContact O-N 2.98Å; L367-Q370 PolarHBondContact O-N 2.89Å; Q370-G374 VanDerWaalsContact O-CA 3.24Å; Q370-G374 WeakPolarHBondContact O-CA 3.48Å; Q370-G374 PolarHBondContact O-N 3.14Å; Q370-R516 VanDerWaalsContact OE1-NH1 3.17Å; Q370-E538 PolarHBondContact NE2-OE2 3.32Å
371	F	65.6	Low	57.2	Low	181 Å²	181	104.7 Å²	104.7	79%	0.794	55%	0.55	S	S	*	.	H	α-helix	trans	-66.8	-41	175.1	-177.5	-98.6	0	0	0	113	L367 I368	L367-F371 VanDerWaalsContact O-CB 3.31Å; L367-F371 WeakPolarHBondContact O-CB 3.36Å; L367-F371 PolarHBondContact O-N 3.24Å; I368-F371 PolarHBondContact O-N 2.93Å
372	L	60.3	Low	54.4	Low	111 Å²	111	111.2 Å²	111.2	58%	0.581	58%	0.583	S	S	*	*	H	α-helix	trans	-82.9	-36.6	-177.5	-68.2	176.5	0	0	0	113.4	I368 G369	I368-L372 HydrophobicContact CG2-CD1 3.6Å; I368-L372 HydrophobicContact CG2-CG 4.07Å; I368-L372 WeakPolarHBondContact O-CB 3.2Å; I368-L372 VanDerWaalsContact O-CG 3.25Å; I368-L372 WeakPolarHBondContact O-CG 3.19Å; I368-L372 PolarHBondContact O-N 2.84Å; G369-L372 PolarHBondContact O-N 3.44Å
373	Y	63.7	Low	51.8	Low	176 Å²	176	111.4 Å²	111.4	69%	0.69	60%	0.595	S	S	*	*	H	α-helix	trans	-121.3	0	-169	-60.5	-72.9	0	0	0	115	G369 S375 K376	G369-Y373 WeakPolarHBondContact O-CA 3.3Å; G369-Y373 VanDerWaalsContact O-CB 3.27Å; G369-Y373 WeakPolarHBondContact O-CB 3.46Å; G369-Y373 PolarHBondContact O-N 3.46Å; Y373-S375 PolarHBondContact O-N 3.2Å; Y373-K376 PolarHBondContact O-N 3.41Å
374	G	52.7	Low	49.5	Very low	28 Å²	28	113 Å²	113	29%	0.289	62%	0.619	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.4	13.3	177.9	0	0	0	0	0	116	Q370 P514	Q370-G374 VanDerWaalsContact O-CA 3.24Å; Q370-G374 WeakPolarHBondContact O-CA 3.48Å; Q370-G374 PolarHBondContact O-N 3.14Å; G374-P514 WeakPolarHBondContact O-CD 3.33Å
375	S	43.5	Very low	47.2	Very low	103 Å²	103	115.9 Å²	115.9	72%	0.72	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.1	-5.3	-179.1	-177.5	0	0	0	0	114.4	Y373	Y373-S375 PolarHBondContact O-N 3.2Å
376	K	35	Very low	45.2	Very low	197 Å²	197	113.9 Å²	113.9	86%	0.857	64%	0.641	S	S	*	*			trans	-97.5	98.5	174.7	-83.5	-176.9	177.2	177.5	0	111.1	Y373 D378	Y373-K376 PolarHBondContact O-N 3.41Å; K376-D378 PolarHBondContact O-N 3.41Å
377	G	38.7	Very low	43.2	Very low	66 Å²	66	115.2 Å²	115.2	68%	0.68	66%	0.655	S	S	*	*			trans	-59.9	122.2	170.7	0	0	0	0	0	110.8	D379	G377-D379 PolarHBondContact O-N 3.38Å
378	D	30.6	Very low	41	Very low	159 Å²	159	116.9 Å²	116.9	85%	0.85	68%	0.679	S	S	*	*			trans	-74.2	106	155.4	-95.3	-22.1	0	0	0	106.9	K376 N380	K376-D378 PolarHBondContact O-N 3.41Å; D378-N380 PolarHBondContact O-N 3.47Å
379	D	27.5	Very low	39.1	Very low	152 Å²	152	117.3 Å²	117.3	81%	0.813	70%	0.696	S	S	*	*			trans	-65.8	76.1	169.2	-76.1	-32.1	0	0	0	109.6	G377	G377-D379 PolarHBondContact O-N 3.38Å
380	N	26.2	Very low	37.7	Very low	120 Å²	120	120.6 Å²	120.6	64%	0.642	72%	0.72	S	S	*	*			trans	-102.2	81	163.9	-145.3	14.9	0	0	0	109.6	D378 N382	D378-N380 PolarHBondContact O-N 3.47Å; N380-N382 VanDerWaalsContact C-N 3.34Å; N380-N382 PolarHBondContact O-N 3.03Å
381	K	25.4	Very low	36.5	Very low	180 Å²	180	121.7 Å²	121.7	78%	0.783	73%	0.732	S	S	*	*			trans	-69.7	87.7	169.3	-74.6	177.8	179	170.7	0	109.7
382	N	24.9	Very low	36.1	Very low	148 Å²	148	116.7 Å²	116.7	79%	0.791	71%	0.714	S	S	*	*			trans	-118.4	72.9	155.8	-89.7	-3.4	0	0	0	108.7	N380 G384	N380-N382 VanDerWaalsContact C-N 3.34Å; N380-N382 PolarHBondContact O-N 3.03Å; N382-G384 PolarHBondContact O-N 2.93Å
383	S	26.5	Very low	36.4	Very low	106 Å²	106	115.8 Å²	115.8	74%	0.741	71%	0.706	S	S	*	*			trans	-86	84.9	158.2	53.2	0	0	0	0	107.3
384	G	27.5	Very low	36.9	Very low	71 Å²	71	111.8 Å²	111.8	73%	0.732	70%	0.7	S	S	*	*			trans	-91.1	100.6	169.2	0	0	0	0	0	108.9	N382 A386	N382-G384 PolarHBondContact O-N 2.93Å; G384-A386 PolarHBondContact O-N 3.31Å
385	D	25.1	Very low	38.5	Very low	168 Å²	168	111.1 Å²	111.1	90%	0.898	69%	0.69	S	S	*	*			trans	-61.1	115.6	169.1	-69.8	-44	0	0	0	109.5
386	A	32.3	Very low	40.8	Very low	91 Å²	91	106.2 Å²	106.2	75%	0.752	66%	0.656	S	S	*	*			trans	-124.3	138.1	165.2	0	0	0	0	0	109.7	G384	G384-A386 PolarHBondContact O-N 3.31Å
387	P	31.3	Very low	43.5	Very low	132 Å²	132	97.8 Å²	97.8	86%	0.857	62%	0.619	S	S	*	*			trans	-81.3	149.8	-160.3	-9.5	27.4	0	0	0	114.6	A389	P387-A389 PolarHBondContact O-N 3.23Å
388	A	26.7	Very low	45.9	Very low	109 Å²	109	100 Å²	100	90%	0.901	61%	0.61	S	S	*	*			trans	-61	119.7	-179.5	0	0	0	0	0	114
389	A	29.5	Very low	48.8	Very low	94 Å²	94	92.8 Å²	92.8	78%	0.777	57%	0.571	S	S	*	*			trans	-111.2	150.4	157.5	0	0	0	0	0	108.7	P387	P387-A389 PolarHBondContact O-N 3.23Å
390	A	32.6	Very low	51.9	Low	91 Å²	91	86.1 Å²	86.1	75%	0.752	54%	0.535	S	S	*	.	S	Bend	trans	-45.8	147.8	-175.3	0	0	0	0	0	113.9	D392	A390-D392 PolarHBondContact O-N 2.82Å
391	P	41.7	Very low	55	Low	73 Å²	73	84 Å²	84	47%	0.474	52%	0.524	S	S	.	.			trans	-63.9	102.7	-160.9	24.5	-33.6	0	0	0	111.4	Q393	P391-Q393 VanDerWaalsContact C-N 3.35Å; P391-Q393 PolarHBondContact O-N 2.91Å
392	D	57.1	Low	58.1	Low	76 Å²	76	77.5 Å²	77.5	41%	0.406	50%	0.496	S	S	.	.			trans	-69.5	94.3	165.5	-174.8	5.3	0	0	0	107.7	A390 T394 N395	A390-D392 PolarHBondContact O-N 2.82Å; D392-T394 PolarHBondContact O-N 3.3Å; D392-T394 VanDerWaalsContact OD1-CB 3.32Å; D392-T394 WeakPolarHBondContact OD1-CB 3.46Å; D392-T394 VanDerWaalsContact OD1-CG2 3.28Å; D392-T394 WeakPolarHBondContact OD1-CG2 3.42Å; D392-T394 PolarHBondContact OD1-N 2.78Å; D392-T394 PolarHBondContact OD1-OG1 3.47Å; D392-T394 PolarHBondContact OD2-OG1 3.5Å; D392-N395 PolarHBondContact O-N 2.94Å
393	Q	66.9	Low	61.3	Low	92 Å²	92	70.7 Å²	70.7	43%	0.43	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	3.5	-179.8	-67.8	-177.9	2.1	0	0	113.6	P391 L399 N529	P391-Q393 VanDerWaalsContact C-N 3.35Å; P391-Q393 PolarHBondContact O-N 2.91Å; Q393-L399 HydrophobicContact CG-CD2 4.39Å; Q393-N529 PolarHBondContact OE1-ND2 2.86Å; Q393-N529 PolarHBondContact OE1-OD1 3.45Å
394	T	73.7	Confident	64.4	Low	91 Å²	91	66.1 Å²	66.1	56%	0.558	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-15.2	-179.2	68.6	0	0	0	0	113.9	D392 W530	D392-T394 PolarHBondContact O-N 3.3Å; D392-T394 VanDerWaalsContact OD1-CB 3.32Å; D392-T394 WeakPolarHBondContact OD1-CB 3.46Å; D392-T394 VanDerWaalsContact OD1-CG2 3.28Å; D392-T394 WeakPolarHBondContact OD1-CG2 3.42Å; D392-T394 PolarHBondContact OD1-N 2.78Å; D392-T394 PolarHBondContact OD1-OG1 3.47Å; D392-T394 PolarHBondContact OD2-OG1 3.5Å; T394-W530 PolarHBondContact O-NE1 2.79Å; T394-W530 VanDerWaalsContact O-NE1 3.08Å
395	N	86.8	Confident	67.5	Low	15 Å²	15	67.4 Å²	67.4	8%	0.08	42%	0.416	C	S	.	.			trans	-120.9	113.5	-176.8	-168.4	-26.5	0	0	0	112.7	D392 Y397 K398 L399 E491	D392-N395 PolarHBondContact O-N 2.94Å; N395-Y397 VanDerWaalsContact C-N 3.3Å; N395-Y397 PolarHBondContact O-N 2.88Å; N395-Y397 PolarHBondContact OD1-N 2.76Å; N395-K398 HydrophobicContact CB-CB 4.36Å; N395-K398 HydrophobicContact CB-CD 4.21Å; N395-K398 HydrophobicContact CB-CG 4.2Å; N395-K398 PolarHBondContact O-N 3.14Å; N395-L399 WeakPolarHBondContact O-CG 3.47Å; N395-L399 PolarHBondContact O-N 3.42Å; N395-E491 PolarHBondContact ND2-OE1 2.84Å
396	P	90.8	Very high	70.7	Confident	0 Å²	0	63 Å²	63	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-66.9	-27	-177.5	29.6	-35.5	0	0	0	113.4	L399 M400 L494 I502 W521 W530	P396-L399 PolarHBondContact O-N 3.39Å; P396-M400 WeakPolarHBondContact O-CB 3.23Å; P396-M400 PolarHBondContact O-N 2.92Å; P396-L494 HydrophobicContact CG-CD2 3.71Å; P396-I502 VanDerWaalsContact C-CD1 3.45Å; P396-I502 HydrophobicContact CB-CD1 3.78Å; P396-I502 HydrophobicContact CG-CD1 4.22Å; P396-I502 WeakPolarHBondContact O-CD1 3.46Å; P396-W521 HydrophobicContact CB-CB 3.95Å; P396-W521 HydrophobicContact CB-CD2 3.82Å; P396-W521 HydrophobicContact CB-CE3 3.87Å; P396-W521 HydrophobicContact CB-CG 3.87Å; P396-W530 HydrophobicContact CB-CB 4.01Å; P396-W530 HydrophobicContact CB-CD2 4.08Å; P396-W530 HydrophobicContact CB-CE3 4.18Å; P396-W530 HydrophobicContact CB-CG 4.02Å; P396-W530 HydrophobicContact CG-CD2 3.93Å; P396-W530 HydrophobicContact CG-CE3 4.14Å; P396-W530 HydrophobicContact CG-CG 4.17Å
397	Y	90.7	Very high	73.6	Confident	19 Å²	19	58.9 Å²	58.9	8%	0.075	36%	0.355	C	S	.	.	H	α-helix	trans	-67.8	-42	177.3	-70.5	-87	0	0	0	111.9	N395 M400 D401 E491 L494 V500 I502	N395-Y397 VanDerWaalsContact C-N 3.3Å; N395-Y397 PolarHBondContact O-N 2.88Å; N395-Y397 PolarHBondContact OD1-N 2.76Å; Y397-M400 PolarHBondContact O-N 3.35Å; Y397-D401 PolarHBondContact O-N 3.11Å; Y397-E491 HydrophobicContact CD1-CB 4.26Å; Y397-E491 HydrophobicContact CD2-CB 4.2Å; Y397-E491 HydrophobicContact CD2-CG 3.69Å; Y397-E491 HydrophobicContact CE2-CG 4.14Å; Y397-E491 HydrophobicContact CG-CB 4Å; Y397-E491 HydrophobicContact CG-CG 3.96Å; Y397-L494 HydrophobicContact CD2-CD2 4.27Å; Y397-L494 HydrophobicContact CE2-CD2 3.95Å; Y397-V500 HydrophobicContact CE2-CG1 4.12Å; Y397-I502 HydrophobicContact CD1-CD1 3.86Å; Y397-I502 HydrophobicContact CD1-CG1 4.15Å; Y397-I502 HydrophobicContact CD1-CG2 4.12Å; Y397-I502 HydrophobicContact CD2-CD1 4.23Å; Y397-I502 HydrophobicContact CE1-CD1 4.13Å; Y397-I502 HydrophobicContact CE1-CG1 3.92Å; Y397-I502 HydrophobicContact CE1-CG2 4.19Å; Y397-I502 HydrophobicContact CE2-CD1 4.48Å; Y397-I502 HydrophobicContact CG-CD1 3.92Å
398	K	90	Very high	76.5	Confident	113 Å²	113	54.2 Å²	54.2	49%	0.491	32%	0.321	S	S	.	.	H	α-helix	trans	-67.1	-39.7	175.7	-65.2	-175.1	-178.5	176.8	0	112	N395 D401 E402	N395-K398 HydrophobicContact CB-CB 4.36Å; N395-K398 HydrophobicContact CB-CD 4.21Å; N395-K398 HydrophobicContact CB-CG 4.2Å; N395-K398 PolarHBondContact O-N 3.14Å; K398-D401 PolarHBondContact O-N 2.72Å; K398-E402 WeakPolarHBondContact O-CB 3.27Å; K398-E402 PolarHBondContact O-N 2.93Å
399	L	91	Very high	79.7	Confident	7 Å²	7	52.5 Å²	52.5	4%	0.037	30%	0.297	C	S	.	.	H	α-helix	trans	-65.5	-39.4	176.5	-66.5	171.9	0	0	0	111.8	Q393 N395 P396 A403 Y436 W521 W530	Q393-L399 HydrophobicContact CG-CD2 4.39Å; N395-L399 WeakPolarHBondContact O-CG 3.47Å; N395-L399 PolarHBondContact O-N 3.42Å; P396-L399 PolarHBondContact O-N 3.39Å; L399-A403 VanDerWaalsContact O-CB 3.32Å; L399-A403 WeakPolarHBondContact O-CB 3.29Å; L399-A403 PolarHBondContact O-N 2.99Å; L399-Y436 HydrophobicContact CB-CD1 4.09Å; L399-Y436 HydrophobicContact CB-CE1 4.21Å; L399-Y436 HydrophobicContact CD2-CD1 4.19Å; L399-Y436 HydrophobicContact CD2-CE1 3.81Å; L399-W521 HydrophobicContact CB-CH2 3.53Å; L399-W521 HydrophobicContact CB-CZ2 4.42Å; L399-W521 HydrophobicContact CB-CZ3 3.76Å; L399-W521 HydrophobicContact CD1-CH2 4.45Å; L399-W521 HydrophobicContact CD1-CZ3 3.84Å; L399-W521 HydrophobicContact CG-CZ3 4.49Å; L399-W530 HydrophobicContact CD1-CB 4.05Å
400	M	92.8	Very high	82.7	Confident	12 Å²	12	49.6 Å²	49.6	6%	0.059	27%	0.265	C	S	.	.	H	α-helix	trans	-63.6	-45.6	173.8	175.9	54.9	74	0	0	111.4	P396 Y397 A403 A404 I488 I502 V504 F519 W521	P396-M400 WeakPolarHBondContact O-CB 3.23Å; P396-M400 PolarHBondContact O-N 2.92Å; Y397-M400 PolarHBondContact O-N 3.35Å; M400-A403 PolarHBondContact O-N 3.42Å; M400-A404 VanDerWaalsContact O-CB 3.25Å; M400-A404 WeakPolarHBondContact O-CB 3.4Å; M400-A404 PolarHBondContact O-N 3.22Å; M400-I488 HydrophobicContact CG-CD1 4.04Å; M400-I488 HydrophobicContact CG-CG2 4.26Å; M400-I502 HydrophobicContact CB-CD1 4.32Å; M400-I502 HydrophobicContact CB-CG2 4.28Å; M400-I502 HydrophobicContact CG-CG2 3.91Å; M400-V504 HydrophobicContact CE-CG2 4.26Å; M400-V504 HydrophobicContact CG-CG2 4.06Å; M400-V504 HydrophobicContact SD-CG2 3.79Å; M400-F519 HydrophobicContact CE-CB 3.41Å; M400-F519 VanDerWaalsContact CE-CB 3.41Å; M400-F519 HydrophobicContact CE-CD1 4.17Å; M400-F519 HydrophobicContact CE-CD2 3.36Å; M400-F519 HydrophobicContact CE-CE2 4.12Å; M400-F519 HydrophobicContact CE-CG 3.37Å; M400-F519 HydrophobicContact SD-CD2 4.29Å; M400-W521 HydrophobicContact CB-CZ2 3.88Å; M400-W521 HydrophobicContact CE-CZ2 3.84Å; M400-W521 VanDerWaalsContact CE-NE1 3.31Å
401	D	91.5	Very high	85.5	Confident	76 Å²	76	45.3 Å²	45.3	41%	0.406	23%	0.23	S	C	.	.	H	α-helix	trans	-61.3	-45.1	178.2	-170.7	53.8	0	0	0	111.9	Y397 K398 A403 A404 Q405 I488	Y397-D401 PolarHBondContact O-N 3.11Å; K398-D401 PolarHBondContact O-N 2.72Å; D401-A403 PolarHBondContact O-N 2.81Å; D401-A404 PolarHBondContact O-N 2.85Å; D401-Q405 VanDerWaalsContact O-CB 3.24Å; D401-Q405 WeakPolarHBondContact O-CB 3.3Å; D401-Q405 PolarHBondContact O-N 2.96Å; D401-I488 VanDerWaalsContact CA-CD1 3.48Å; D401-I488 HydrophobicContact CB-CD1 3.91Å
402	E	91.1	Very high	87.8	Confident	44 Å²	44	48.3 Å²	48.3	21%	0.206	24%	0.236	C	C	.	.	H	α-helix	trans	-60.7	-47.1	175.9	-170.2	-171.5	-174.5	0	0	112.2	K398 K406 Y436	K398-E402 WeakPolarHBondContact O-CB 3.27Å; K398-E402 PolarHBondContact O-N 2.93Å; E402-K406 HydrophobicContact CG-CD 4.14Å; E402-K406 WeakPolarHBondContact O-CB 3.29Å; E402-K406 VanDerWaalsContact O-CG 3.3Å; E402-K406 WeakPolarHBondContact O-CG 3.42Å; E402-K406 PolarHBondContact O-N 2.71Å; E402-K406 WeakPolarHBondContact OE1-CE 3.33Å; E402-K406 IonicContact OE1-NZ 2.63Å; E402-K406 PolarHBondContact OE1-NZ 2.9Å; E402-Y436 PolarHBondContact OE1-OH 3.45Å; E402-Y436 PolarHBondContact OE2-OH 3.27Å
403	A	91.8	Very high	89.5	Confident	5 Å²	5	50.4 Å²	50.4	4%	0.041	25%	0.246	C	C	.	.	H	α-helix	trans	-64.5	-42.7	179.3	0	0	0	0	0	111.9	L399 M400 D401 T407 Y436	L399-A403 VanDerWaalsContact O-CB 3.32Å; L399-A403 WeakPolarHBondContact O-CB 3.29Å; L399-A403 PolarHBondContact O-N 2.99Å; M400-A403 PolarHBondContact O-N 3.42Å; D401-A403 PolarHBondContact O-N 2.81Å; A403-T407 VanDerWaalsContact O-CB 3.26Å; A403-T407 WeakPolarHBondContact O-CB 3.1Å; A403-T407 PolarHBondContact O-N 2.99Å; A403-T407 PolarHBondContact O-OG1 3.35Å; A403-Y436 HydrophobicContact CB-CD1 4.49Å; A403-Y436 HydrophobicContact CB-CD2 3.69Å; A403-Y436 HydrophobicContact CB-CE2 3.74Å; A403-Y436 HydrophobicContact CB-CG 4.08Å
404	A	92	Very high	90.8	Very high	10 Å²	10	47.9 Å²	47.9	8%	0.083	24%	0.235	C	C	.	.	H	α-helix	trans	-64.9	-49.9	177.8	0	0	0	0	0	111	M400 D401 K406 T407 F408 Y486 I488	M400-A404 VanDerWaalsContact O-CB 3.25Å; M400-A404 WeakPolarHBondContact O-CB 3.4Å; M400-A404 PolarHBondContact O-N 3.22Å; D401-A404 PolarHBondContact O-N 2.85Å; A404-K406 PolarHBondContact O-N 2.65Å; A404-T407 PolarHBondContact O-N 3.07Å; A404-F408 WeakPolarHBondContact O-CB 3.32Å; A404-F408 WeakPolarHBondContact O-CD2 3.38Å; A404-F408 PolarHBondContact O-N 2.95Å; A404-Y486 HydrophobicContact CB-CD2 4.03Å; A404-Y486 HydrophobicContact CB-CE1 4.46Å; A404-Y486 HydrophobicContact CB-CE2 3.69Å; A404-I488 HydrophobicContact CB-CD1 4.15Å
405	Q	92	Very high	91.6	Very high	97 Å²	97	45.7 Å²	45.7	45%	0.453	22%	0.218	S	C	.	.	H	α-helix	trans	-57.6	-52.9	-179.8	-174.8	178.3	14.6	0	0	111.1	D401 T407 F408 D409 Y486	D401-Q405 VanDerWaalsContact O-CB 3.24Å; D401-Q405 WeakPolarHBondContact O-CB 3.3Å; D401-Q405 PolarHBondContact O-N 2.96Å; Q405-T407 VanDerWaalsContact C-N 3.33Å; Q405-T407 PolarHBondContact O-N 2.97Å; Q405-F408 PolarHBondContact O-N 3.12Å; Q405-D409 WeakPolarHBondContact CG-OD2 3.25Å; Q405-D409 VanDerWaalsContact O-CB 3.25Å; Q405-D409 WeakPolarHBondContact O-CB 3.43Å; Q405-D409 PolarHBondContact O-N 3.3Å; Q405-Y486 VanDerWaalsContact CA-OH 3.3Å; Q405-Y486 WeakPolarHBondContact CA-OH 3.15Å; Q405-Y486 PolarHBondContact N-OH 3.39Å
406	K	92.7	Very high	91.6	Very high	77 Å²	77	49.4 Å²	49.4	34%	0.335	24%	0.243	S	C	.	.	H	α-helix	trans	-58.6	-44.4	179	-73.5	174.5	177.3	172.4	0	112.4	E402 A404 R410 E432	E402-K406 HydrophobicContact CG-CD 4.14Å; E402-K406 WeakPolarHBondContact O-CB 3.29Å; E402-K406 VanDerWaalsContact O-CG 3.3Å; E402-K406 WeakPolarHBondContact O-CG 3.42Å; E402-K406 PolarHBondContact O-N 2.71Å; E402-K406 WeakPolarHBondContact OE1-CE 3.33Å; E402-K406 IonicContact OE1-NZ 2.63Å; E402-K406 PolarHBondContact OE1-NZ 2.9Å; A404-K406 PolarHBondContact O-N 2.65Å; K406-R410 WeakPolarHBondContact O-CB 3.39Å; K406-R410 WeakPolarHBondContact O-CG 3.28Å; K406-R410 PolarHBondContact O-N 3.43Å; K406-E432 WeakPolarHBondContact CB-OE2 3.27Å; K406-E432 WeakPolarHBondContact CD-OE2 2.92Å
407	T	92.9	Very high	91.4	Very high	4 Å²	4	54.2 Å²	54.2	3%	0.025	27%	0.266	C	S	.	.	H	α-helix	trans	-65.1	-49.1	-179.2	-57.5	0	0	0	0	111.1	A403 A404 Q405 R410 L411 I428 E432 L433 L478	A403-T407 VanDerWaalsContact O-CB 3.26Å; A403-T407 WeakPolarHBondContact O-CB 3.1Å; A403-T407 PolarHBondContact O-N 2.99Å; A403-T407 PolarHBondContact O-OG1 3.35Å; A404-T407 PolarHBondContact O-N 3.07Å; Q405-T407 VanDerWaalsContact C-N 3.33Å; Q405-T407 PolarHBondContact O-N 2.97Å; T407-R410 PolarHBondContact O-N 2.94Å; T407-L411 HydrophobicContact CG2-CD1 3.96Å; T407-L411 HydrophobicContact CG2-CG 4.48Å; T407-L411 WeakPolarHBondContact O-CB 3.49Å; T407-L411 VanDerWaalsContact O-CG 3.23Å; T407-L411 WeakPolarHBondContact O-CG 3.3Å; T407-L411 PolarHBondContact O-N 2.67Å; T407-I428 HydrophobicContact CG2-CG2 4.43Å; T407-E432 WeakPolarHBondContact OG1-CB 3.19Å; T407-L433 HydrophobicContact CG2-CD1 4.39Å; T407-L433 HydrophobicContact CG2-CD2 4.33Å; T407-L433 HydrophobicContact CG2-CG 4.36Å; T407-L433 VanDerWaalsContact OG1-CD2 3.29Å; T407-L433 WeakPolarHBondContact OG1-CD2 3.29Å; T407-L478 HydrophobicContact CG2-CD1 4.12Å; T407-L478 HydrophobicContact CG2-CD2 4.48Å
408	F	93.1	Very high	91.3	Very high	34 Å²	34	54.1 Å²	54.1	15%	0.149	27%	0.266	C	S	.	.	H	α-helix	trans	-68.4	-35.8	-179.4	-86.7	-95.4	0	0	0	112.6	A404 Q405 L411 K412 Y481 Q484 Y486 I506	A404-F408 WeakPolarHBondContact O-CB 3.32Å; A404-F408 WeakPolarHBondContact O-CD2 3.38Å; A404-F408 PolarHBondContact O-N 2.95Å; Q405-F408 PolarHBondContact O-N 3.12Å; F408-L411 PolarHBondContact O-N 2.72Å; F408-K412 VanDerWaalsContact O-CB 3.28Å; F408-K412 WeakPolarHBondContact O-CB 3.15Å; F408-K412 PolarHBondContact O-N 3.01Å; F408-Y481 HydrophobicContact CD1-CD2 4.4Å; F408-Y481 AromaticContact CD1-CE2 3.83Å; F408-Y481 HydrophobicContact CD1-CE2 3.83Å; F408-Y481 HydrophobicContact CE1-CD2 4.15Å; F408-Y481 AromaticContact CE1-CE2 3.9Å; F408-Y481 HydrophobicContact CE1-CE2 3.9Å; F408-Q484 WeakPolarHBondContact CE1-O 3.4Å; F408-Y486 HydrophobicContact CB-CD1 4.06Å; F408-Y486 HydrophobicContact CB-CE1 3.86Å; F408-Y486 AromaticContact CD1-CD1 3.91Å; F408-Y486 HydrophobicContact CD1-CD1 3.91Å; F408-Y486 AromaticContact CD2-CD1 3.48Å; F408-Y486 HydrophobicContact CD2-CD1 3.48Å; F408-Y486 VanDerWaalsContact CD2-CD1 3.48Å; F408-Y486 AromaticContact CD2-CE1 3.93Å; F408-Y486 HydrophobicContact CD2-CE1 3.93Å; F408-Y486 HydrophobicContact CD2-CG 4.21Å; F408-Y486 HydrophobicContact CE1-CD1 4.25Å; F408-Y486 AromaticContact CE2-CD1 3.86Å; F408-Y486 HydrophobicContact CE2-CD1 3.86Å; F408-Y486 HydrophobicContact CE2-CG 4.2Å; F408-Y486 AromaticContact CG-CD1 3.53Å; F408-Y486 HydrophobicContact CG-CD1 3.53Å; F408-Y486 AromaticContact CG-CE1 3.86Å; F408-Y486 HydrophobicContact CG-CE1 3.86Å; F408-Y486 HydrophobicContact CZ-CD1 4.25Å; F408-I506 HydrophobicContact CE2-CD1 4.29Å; F408-I506 HydrophobicContact CZ-CD1 3.79Å
409	D	92.7	Very high	91.1	Very high	73 Å²	73	58.3 Å²	58.3	39%	0.39	28%	0.279	S	S	.	.	H	α-helix	trans	-64.2	-44.4	175	-76.3	-21.3	0	0	0	111.4	Q405 K412 N413	Q405-D409 WeakPolarHBondContact CG-OD2 3.25Å; Q405-D409 VanDerWaalsContact O-CB 3.25Å; Q405-D409 WeakPolarHBondContact O-CB 3.43Å; Q405-D409 PolarHBondContact O-N 3.3Å; D409-K412 PolarHBondContact O-N 2.63Å; D409-N413 VanDerWaalsContact O-CB 3.3Å; D409-N413 WeakPolarHBondContact O-CB 3.25Å; D409-N413 PolarHBondContact O-N 3.34Å; D409-N413 PolarHBondContact O-ND2 2.82Å; D409-N413 VanDerWaalsContact O-ND2 3.09Å
410	R	92.6	Very high	90.9	Very high	32 Å²	32	62.1 Å²	62.1	12%	0.121	31%	0.312	C	S	.	.	H	α-helix	trans	-65.7	-44.6	175	-73.5	-172.2	69.1	-175.7	-1	112	K406 T407 K412 N413 E414 Y424 E432	K406-R410 WeakPolarHBondContact O-CB 3.39Å; K406-R410 WeakPolarHBondContact O-CG 3.28Å; K406-R410 PolarHBondContact O-N 3.43Å; T407-R410 PolarHBondContact O-N 2.94Å; R410-K412 VanDerWaalsContact C-N 3.25Å; R410-K412 PolarHBondContact O-N 2.72Å; R410-N413 PolarHBondContact O-N 2.86Å; R410-E414 IonicContact CZ-OE2 3.33Å; R410-E414 IonicContact NE-OE1 2.71Å; R410-E414 PolarHBondContact NE-OE1 2.8Å; R410-E414 IonicContact NE-OE2 3.29Å; R410-E414 PolarHBondContact NE-OE2 2.68Å; R410-E414 VanDerWaalsContact NE-OE2 3.07Å; R410-E414 IonicContact NH2-OE1 3.51Å; R410-E414 IonicContact NH2-OE2 3.12Å; R410-E414 PolarHBondContact NH2-OE2 3.45Å; R410-E414 VanDerWaalsContact O-CB 3.22Å; R410-E414 WeakPolarHBondContact O-CB 3.28Å; R410-E414 PolarHBondContact O-N 3.08Å; R410-Y424 PolarHBondContact NH2-OH 2.89Å; R410-E432 WeakPolarHBondContact CD-OE1 3.19Å; R410-E432 IonicContact CZ-OE1 3.6Å; R410-E432 IonicContact NE-OE1 3.73Å; R410-E432 IonicContact NH1-OE1 2.81Å; R410-E432 PolarHBondContact NH1-OE1 2.97Å
411	L	91.3	Very high	90.7	Very high	1 Å²	1	65.4 Å²	65.4	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-58.4	-39.2	175.5	-72.9	170.2	0	0	0	111.9	T407 F408 Q415 I418 L425 I428 L478 Y481	T407-L411 HydrophobicContact CG2-CD1 3.96Å; T407-L411 HydrophobicContact CG2-CG 4.48Å; T407-L411 WeakPolarHBondContact O-CB 3.49Å; T407-L411 VanDerWaalsContact O-CG 3.23Å; T407-L411 WeakPolarHBondContact O-CG 3.3Å; T407-L411 PolarHBondContact O-N 2.67Å; F408-L411 PolarHBondContact O-N 2.72Å; L411-Q415 VanDerWaalsContact O-CG 3.3Å; L411-Q415 WeakPolarHBondContact O-CG 3.07Å; L411-Q415 PolarHBondContact O-NE2 3.27Å; L411-I418 HydrophobicContact CD2-CD1 3.98Å; L411-L425 HydrophobicContact CD2-CD2 3.62Å; L411-I428 HydrophobicContact CD2-CD1 4.31Å; L411-L478 HydrophobicContact CD1-CB 4.5Å; L411-L478 HydrophobicContact CD1-CD1 4.31Å; L411-L478 HydrophobicContact CD1-CD2 3.87Å; L411-L478 HydrophobicContact CD1-CG 4.44Å; L411-L478 HydrophobicContact CD2-CB 4.17Å; L411-L478 HydrophobicContact CD2-CD1 4.34Å; L411-Y481 HydrophobicContact CB-CD1 4.12Å; L411-Y481 HydrophobicContact CB-CE1 4.2Å; L411-Y481 HydrophobicContact CB-CG 4.28Å; L411-Y481 HydrophobicContact CD1-CD2 4.39Å; L411-Y481 HydrophobicContact CD1-CG 4.39Å
412	K	90.8	Very high	90.4	Very high	137 Å²	137	66 Å²	66	60%	0.596	34%	0.338	S	S	*	.	H	α-helix	trans	-70.7	-45.4	178.2	-172.4	-179.1	179.8	-178.5	0	112.5	F408 D409 R410	F408-K412 VanDerWaalsContact O-CB 3.28Å; F408-K412 WeakPolarHBondContact O-CB 3.15Å; F408-K412 PolarHBondContact O-N 3.01Å; D409-K412 PolarHBondContact O-N 2.63Å; R410-K412 VanDerWaalsContact C-N 3.25Å; R410-K412 PolarHBondContact O-N 2.72Å
413	N	93	Very high	90.1	Very high	119 Å²	119	68.9 Å²	68.9	64%	0.636	35%	0.354	S	S	*	.	H	α-helix	trans	-84.3	-28.8	-171.4	-64.3	-28.4	0	0	0	113.4	D409 R410	D409-N413 VanDerWaalsContact O-CB 3.3Å; D409-N413 WeakPolarHBondContact O-CB 3.25Å; D409-N413 PolarHBondContact O-N 3.34Å; D409-N413 PolarHBondContact O-ND2 2.82Å; D409-N413 VanDerWaalsContact O-ND2 3.09Å; R410-N413 PolarHBondContact O-N 2.86Å
414	E	93.7	Very high	90	Very high	39 Å²	39	71 Å²	71	18%	0.182	36%	0.362	C	S	.	.			trans	-101.1	14.7	-172.5	-58.5	174.2	-178.9	0	0	113	R410 P416 Q417 I418 Y424	R410-E414 IonicContact CZ-OE2 3.33Å; R410-E414 IonicContact NE-OE1 2.71Å; R410-E414 PolarHBondContact NE-OE1 2.8Å; R410-E414 IonicContact NE-OE2 3.29Å; R410-E414 PolarHBondContact NE-OE2 2.68Å; R410-E414 VanDerWaalsContact NE-OE2 3.07Å; R410-E414 IonicContact NH2-OE1 3.51Å; R410-E414 IonicContact NH2-OE2 3.12Å; R410-E414 PolarHBondContact NH2-OE2 3.45Å; R410-E414 VanDerWaalsContact O-CB 3.22Å; R410-E414 WeakPolarHBondContact O-CB 3.28Å; R410-E414 PolarHBondContact O-N 3.08Å; E414-P416 VanDerWaalsContact C-N 3.31Å; E414-P416 VanDerWaalsContact O-N 3.15Å; E414-Q417 WeakPolarHBondContact O-CB 3.48Å; E414-Q417 PolarHBondContact O-N 3.14Å; E414-I418 PolarHBondContact O-N 3.45Å; E414-I418 VanDerWaalsContact O-N 3.08Å; E414-Y424 HydrophobicContact CB-CE1 4.39Å; E414-Y424 WeakPolarHBondContact OE2-CE1 3.49Å; E414-Y424 PolarHBondContact OE2-OH 3.26Å; E414-Y424 VanDerWaalsContact OE2-OH 3.14Å
415	Q	89.4	Confident	89.9	Confident	45 Å²	45	70.8 Å²	70.8	21%	0.21	36%	0.359	C	S	.	.	H	α-helix	trans	-46.2	-42.2	176.6	-77.9	-62.9	-54.4	0	0	115	L411 Q417 I418 R419	L411-Q415 VanDerWaalsContact O-CG 3.3Å; L411-Q415 WeakPolarHBondContact O-CG 3.07Å; L411-Q415 PolarHBondContact O-NE2 3.27Å; Q415-Q417 VanDerWaalsContact C-N 3.31Å; Q415-Q417 PolarHBondContact O-N 3.42Å; Q415-I418 PolarHBondContact O-N 3.34Å; Q415-R419 WeakPolarHBondContact O-CG 3.42Å; Q415-R419 PolarHBondContact O-N 2.91Å
416	P	88.2	Confident	89.8	Confident	94 Å²	94	69.6 Å²	69.6	61%	0.61	35%	0.351	S	S	*	.	H	α-helix	trans	-61.9	-37.3	176.9	-23	34.8	0	0	0	113.2	E414 A420	E414-P416 VanDerWaalsContact C-N 3.31Å; E414-P416 VanDerWaalsContact O-N 3.15Å; P416-A420 WeakPolarHBondContact O-CB 3.3Å; P416-A420 PolarHBondContact O-N 3.36Å; P416-A420 VanDerWaalsContact O-N 3.13Å
417	Q	86.8	Confident	89.7	Confident	101 Å²	101	68.5 Å²	68.5	47%	0.472	35%	0.35	S	S	.	.	H	α-helix	trans	-71.6	-41.1	179.5	-58.9	-179.1	33.3	0	0	110.8	E414 Q415 R419 A420 N421 Y424	E414-Q417 WeakPolarHBondContact O-CB 3.48Å; E414-Q417 PolarHBondContact O-N 3.14Å; Q415-Q417 VanDerWaalsContact C-N 3.31Å; Q415-Q417 PolarHBondContact O-N 3.42Å; Q417-R419 PolarHBondContact O-N 2.87Å; Q417-A420 PolarHBondContact O-N 2.82Å; Q417-N421 PolarHBondContact O-N 3.25Å; Q417-Y424 HydrophobicContact CB-CD1 4.3Å; Q417-Y424 HydrophobicContact CB-CE1 4.37Å; Q417-Y424 PolarHBondContact OE1-OH 2.94Å
418	I	87.3	Confident	89.7	Confident	17 Å²	17	68.3 Å²	68.3	9%	0.087	35%	0.349	C	S	.	.	H	α-helix	trans	-62.5	-41.8	176	-64.3	163.9	0	0	0	111.1	L411 E414 Q415 N421 P422 Y424 L425 I428	L411-I418 HydrophobicContact CD2-CD1 3.98Å; E414-I418 PolarHBondContact O-N 3.45Å; E414-I418 VanDerWaalsContact O-N 3.08Å; Q415-I418 PolarHBondContact O-N 3.34Å; I418-N421 CarbonylContact O-C 3.54Å; I418-N421 PolarHBondContact O-N 2.71Å; I418-P422 WeakPolarHBondContact O-CA 3.42Å; I418-P422 VanDerWaalsContact O-N 3.17Å; I418-Y424 HydrophobicContact CG1-CD1 4.13Å; I418-L425 HydrophobicContact CD1-CD2 3.84Å; I418-L425 HydrophobicContact CG1-CD2 3.95Å; I418-L425 HydrophobicContact CG1-CG 4.41Å; I418-L425 HydrophobicContact CG2-CD1 3.92Å; I418-L425 HydrophobicContact CG2-CD2 3.85Å; I418-L425 HydrophobicContact CG2-CG 3.84Å; I418-I428 HydrophobicContact CD1-CD1 4.02Å; I418-I428 HydrophobicContact CG1-CD1 4.29Å
419	R	86.6	Confident	89.6	Confident	200 Å²	200	66.7 Å²	66.7	76%	0.755	34%	0.342	S	S	*	.	H	α-helix	trans	-67.7	-34.7	177.4	-71.9	177.2	-170.8	-171.4	1.8	113	Q415 Q417	Q415-R419 WeakPolarHBondContact O-CG 3.42Å; Q415-R419 PolarHBondContact O-N 2.91Å; Q417-R419 PolarHBondContact O-N 2.87Å
420	A	87.1	Confident	89.5	Confident	88 Å²	88	65.2 Å²	65.2	73%	0.727	33%	0.334	S	S	*	.	H	α-helix	trans	-73.7	-36.9	176.9	0	0	0	0	0	112.1	P416 Q417	P416-A420 WeakPolarHBondContact O-CB 3.3Å; P416-A420 PolarHBondContact O-N 3.36Å; P416-A420 VanDerWaalsContact O-N 3.13Å; Q417-A420 PolarHBondContact O-N 2.82Å
421	N	88.6	Confident	89.5	Confident	81 Å²	81	68.4 Å²	68.4	43%	0.433	35%	0.35	S	S	.	.			trans	-141.2	96.9	178.1	-177.5	9	0	0	0	111	Q417 I418 D423 Y424	Q417-N421 PolarHBondContact O-N 3.25Å; I418-N421 CarbonylContact O-C 3.54Å; I418-N421 PolarHBondContact O-N 2.71Å; N421-D423 PolarHBondContact O-N 3.03Å; N421-D423 VanDerWaalsContact O-N 3.16Å; N421-D423 WeakPolarHBondContact OD1-CB 3.2Å; N421-D423 PolarHBondContact OD1-N 3.03Å; N421-D423 VanDerWaalsContact OD1-N 3.14Å; N421-Y424 WeakPolarHBondContact O-CB 3.25Å; N421-Y424 PolarHBondContact O-N 3.46Å
422	P	84.2	Confident	89.5	Confident	88 Å²	88	69.9 Å²	69.9	57%	0.571	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-28.2	177.6	-27.6	36.2	0	0	0	114.1	I418 Y424 L425	I418-P422 WeakPolarHBondContact O-CA 3.42Å; I418-P422 VanDerWaalsContact O-N 3.17Å; P422-Y424 PolarHBondContact O-N 3.39Å; P422-L425 WeakPolarHBondContact O-CB 3.1Å; P422-L425 WeakPolarHBondContact O-CG 3.17Å; P422-L425 PolarHBondContact O-N 3.46Å
423	D	86	Confident	89.6	Confident	105 Å²	105	65.6 Å²	65.6	56%	0.561	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-17.8	177.2	-76.5	-42	0	0	0	113	N421 L425 R426	N421-D423 PolarHBondContact O-N 3.03Å; N421-D423 VanDerWaalsContact O-N 3.16Å; N421-D423 WeakPolarHBondContact OD1-CB 3.2Å; N421-D423 PolarHBondContact OD1-N 3.03Å; N421-D423 VanDerWaalsContact OD1-N 3.14Å; D423-L425 PolarHBondContact O-N 3.49Å; D423-L425 VanDerWaalsContact O-N 3.15Å; D423-R426 VanDerWaalsContact O-CB 3.24Å; D423-R426 WeakPolarHBondContact O-CB 3.1Å; D423-R426 PolarHBondContact O-N 3.47Å
424	Y	89.9	Confident	89.4	Confident	49 Å²	49	60.3 Å²	60.3	19%	0.192	31%	0.312	C	S	.	.	H	α-helix	trans	-59.1	-25.6	174.7	-173.6	-109.5	0	0	0	112.6	R410 E414 Q417 I418 N421 P422 R426 T427 I428	R410-Y424 PolarHBondContact NH2-OH 2.89Å; E414-Y424 HydrophobicContact CB-CE1 4.39Å; E414-Y424 WeakPolarHBondContact OE2-CE1 3.49Å; E414-Y424 PolarHBondContact OE2-OH 3.26Å; E414-Y424 VanDerWaalsContact OE2-OH 3.14Å; Q417-Y424 HydrophobicContact CB-CD1 4.3Å; Q417-Y424 HydrophobicContact CB-CE1 4.37Å; Q417-Y424 PolarHBondContact OE1-OH 2.94Å; I418-Y424 HydrophobicContact CG1-CD1 4.13Å; N421-Y424 WeakPolarHBondContact O-CB 3.25Å; N421-Y424 PolarHBondContact O-N 3.46Å; P422-Y424 PolarHBondContact O-N 3.39Å; Y424-R426 PolarHBondContact O-N 3.47Å; Y424-T427 HydrophobicContact CE2-CG2 4.35Å; Y424-T427 WeakPolarHBondContact O-CA 3.09Å; Y424-T427 VanDerWaalsContact O-CB 3.25Å; Y424-T427 WeakPolarHBondContact O-CB 3.47Å; Y424-T427 PolarHBondContact O-N 2.9Å; Y424-I428 HydrophobicContact CD1-CD1 4.03Å; Y424-I428 HydrophobicContact CD1-CG1 4.17Å; Y424-I428 HydrophobicContact CE1-CD1 3.93Å; Y424-I428 HydrophobicContact CE1-CG1 3.94Å; Y424-I428 PolarHBondContact O-N 2.87Å; Y424-I428 VanDerWaalsContact O-N 3.12Å
425	L	88.7	Confident	89.3	Confident	5 Å²	5	62.2 Å²	62.2	3%	0.026	33%	0.328	C	S	.	.	H	α-helix	trans	-58.7	-32.3	172.7	-68.1	168.1	0	0	0	112.2	L411 I418 P422 D423 T427 I428 V429 G475 L478 A479	L411-L425 HydrophobicContact CD2-CD2 3.62Å; I418-L425 HydrophobicContact CD1-CD2 3.84Å; I418-L425 HydrophobicContact CG1-CD2 3.95Å; I418-L425 HydrophobicContact CG1-CG 4.41Å; I418-L425 HydrophobicContact CG2-CD1 3.92Å; I418-L425 HydrophobicContact CG2-CD2 3.85Å; I418-L425 HydrophobicContact CG2-CG 3.84Å; P422-L425 WeakPolarHBondContact O-CB 3.1Å; P422-L425 WeakPolarHBondContact O-CG 3.17Å; P422-L425 PolarHBondContact O-N 3.46Å; D423-L425 PolarHBondContact O-N 3.49Å; D423-L425 VanDerWaalsContact O-N 3.15Å; L425-T427 VanDerWaalsContact C-N 3.27Å; L425-T427 PolarHBondContact O-N 3.32Å; L425-I428 HydrophobicContact CD2-CD1 4.32Å; L425-I428 PolarHBondContact O-N 3.47Å; L425-V429 WeakPolarHBondContact O-CG2 3.5Å; L425-V429 PolarHBondContact O-N 2.83Å; L425-G475 WeakPolarHBondContact CD1-O 3.04Å; L425-L478 HydrophobicContact CD2-CB 4.08Å; L425-A479 HydrophobicContact CD1-CB 3.56Å
426	R	90.3	Very high	89.4	Confident	73 Å²	73	61.6 Å²	61.6	28%	0.275	32%	0.324	S	S	.	.	H	α-helix	trans	-63.7	-35.4	174.2	-61.4	177.9	69.1	163.4	-0.4	111.4	D423 Y424 D430 E468 K471	D423-R426 VanDerWaalsContact O-CB 3.24Å; D423-R426 WeakPolarHBondContact O-CB 3.1Å; D423-R426 PolarHBondContact O-N 3.47Å; Y424-R426 PolarHBondContact O-N 3.47Å; R426-D430 WeakPolarHBondContact O-CB 3.29Å; R426-D430 PolarHBondContact O-N 2.87Å; R426-E468 IonicContact CZ-OE2 3.27Å; R426-E468 IonicContact NH2-OE2 3.59Å; R426-E468 PolarHBondContact NH2-OE2 2.81Å; R426-K471 HydrophobicContact CB-CB 4.11Å; R426-K471 HydrophobicContact CG-CB 4.39Å
427	T	91.6	Very high	89.6	Confident	54 Å²	54	58.6 Å²	58.6	33%	0.331	30%	0.304	S	S	.	.	H	α-helix	trans	-68.2	-42.6	175.3	-53.5	0	0	0	0	111.3	Y424 L425 D430 Q431	Y424-T427 HydrophobicContact CE2-CG2 4.35Å; Y424-T427 WeakPolarHBondContact O-CA 3.09Å; Y424-T427 VanDerWaalsContact O-CB 3.25Å; Y424-T427 WeakPolarHBondContact O-CB 3.47Å; Y424-T427 PolarHBondContact O-N 2.9Å; L425-T427 VanDerWaalsContact C-N 3.27Å; L425-T427 PolarHBondContact O-N 3.32Å; T427-D430 PolarHBondContact O-N 3.05Å; T427-Q431 HydrophobicContact CG2-CG 4.39Å; T427-Q431 WeakPolarHBondContact O-CB 3.49Å; T427-Q431 WeakPolarHBondContact O-CG 3.23Å; T427-Q431 PolarHBondContact O-N 2.81Å
428	I	90.9	Very high	89.9	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-60.4	-47.2	175	-60.8	179.7	0	0	0	110.1	T407 L411 I418 Y424 L425 D430 Q431 E432 L478	T407-I428 HydrophobicContact CG2-CG2 4.43Å; L411-I428 HydrophobicContact CD2-CD1 4.31Å; I418-I428 HydrophobicContact CD1-CD1 4.02Å; I418-I428 HydrophobicContact CG1-CD1 4.29Å; Y424-I428 HydrophobicContact CD1-CD1 4.03Å; Y424-I428 HydrophobicContact CD1-CG1 4.17Å; Y424-I428 HydrophobicContact CE1-CD1 3.93Å; Y424-I428 HydrophobicContact CE1-CG1 3.94Å; Y424-I428 PolarHBondContact O-N 2.87Å; Y424-I428 VanDerWaalsContact O-N 3.12Å; L425-I428 HydrophobicContact CD2-CD1 4.32Å; L425-I428 PolarHBondContact O-N 3.47Å; I428-D430 VanDerWaalsContact C-N 3.34Å; I428-D430 PolarHBondContact O-N 3.46Å; I428-Q431 PolarHBondContact O-N 3.04Å; I428-E432 HydrophobicContact CG2-CG 4.14Å; I428-E432 WeakPolarHBondContact O-CB 3.26Å; I428-E432 PolarHBondContact O-N 3.35Å; I428-L478 HydrophobicContact CG2-CD1 4.49Å
429	V	90.9	Very high	90	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.287	C	S	.	.	I	π-helix	trans	-59.3	-45.4	176.8	172.6	0	0	0	0	111.4	L425 Q431 L433 L434 L478	L425-V429 WeakPolarHBondContact O-CG2 3.5Å; L425-V429 PolarHBondContact O-N 2.83Å; V429-Q431 VanDerWaalsContact C-N 3.31Å; V429-Q431 PolarHBondContact O-N 3.24Å; V429-L433 HydrophobicContact CG1-CB 4.5Å; V429-L433 HydrophobicContact CG2-CD1 4.35Å; V429-L433 WeakPolarHBondContact O-CB 3.4Å; V429-L433 PolarHBondContact O-N 3Å; V429-L433 VanDerWaalsContact O-N 3.1Å; V429-L434 HydrophobicContact CG1-CD2 4.43Å; V429-L434 HydrophobicContact CG1-CG 4.09Å; V429-L434 PolarHBondContact O-N 2.77Å; V429-L478 HydrophobicContact CG2-CD1 3.65Å; V429-L478 HydrophobicContact CG2-CG 4.4Å
430	D	91.6	Very high	90.2	Very high	41 Å²	41	49.3 Å²	49.3	22%	0.219	27%	0.269	C	S	.	.	I	π-helix	trans	-66.5	-31.4	-178.2	-165.3	36.7	0	0	0	113.7	R426 T427 I428 L434 P435 R467 K471	R426-D430 WeakPolarHBondContact O-CB 3.29Å; R426-D430 PolarHBondContact O-N 2.87Å; T427-D430 PolarHBondContact O-N 3.05Å; I428-D430 VanDerWaalsContact C-N 3.34Å; I428-D430 PolarHBondContact O-N 3.46Å; D430-L434 HydrophobicContact CB-CD1 4.38Å; D430-L434 WeakPolarHBondContact OD1-CD1 3.39Å; D430-P435 WeakPolarHBondContact O-CD 3.15Å; D430-R467 IonicContact OD1-CZ 3.55Å; D430-R467 IonicContact OD1-NE 2.71Å; D430-R467 PolarHBondContact OD1-NE 3.27Å; D430-R467 VanDerWaalsContact OD1-NE 3.12Å; D430-R467 IonicContact OD1-NH2 3.91Å; D430-R467 PolarHBondContact OD1-NH2 3.06Å; D430-R467 IonicContact OD2-NH2 2.85Å; D430-K471 HydrophobicContact CB-CD 3.94Å; D430-K471 HydrophobicContact CB-CG 4.25Å; D430-K471 WeakPolarHBondContact OD1-CE 3.5Å; D430-K471 IonicContact OD1-NZ 3.66Å; D430-K471 PolarHBondContact OD1-NZ 3.48Å; D430-K471 IonicContact OD2-NZ 2.95Å; D430-K471 PolarHBondContact OD2-NZ 2.98Å
431	Q	92.5	Very high	90.4	Very high	100 Å²	100	45.5 Å²	45.5	47%	0.467	24%	0.236	S	C	.	.	I	π-helix	trans	-91.6	-39.4	-177.2	-70.1	175.7	-10.9	0	0	113.2	T427 I428 V429 P435	T427-Q431 HydrophobicContact CG2-CG 4.39Å; T427-Q431 WeakPolarHBondContact O-CB 3.49Å; T427-Q431 WeakPolarHBondContact O-CG 3.23Å; T427-Q431 PolarHBondContact O-N 2.81Å; I428-Q431 PolarHBondContact O-N 3.04Å; V429-Q431 VanDerWaalsContact C-N 3.31Å; V429-Q431 PolarHBondContact O-N 3.24Å; Q431-P435 VanDerWaalsContact O-CG 3.27Å; Q431-P435 WeakPolarHBondContact O-CG 3.17Å
432	E	91.8	Very high	90.5	Very high	31 Å²	31	41.8 Å²	41.8	15%	0.145	22%	0.216	C	C	.	.	I	π-helix	trans	-102.4	-27.7	-171	-53.2	-52.5	156.9	0	0	113.8	K406 T407 R410 I428 Y436	K406-E432 WeakPolarHBondContact CB-OE2 3.27Å; K406-E432 WeakPolarHBondContact CD-OE2 2.92Å; T407-E432 WeakPolarHBondContact OG1-CB 3.19Å; R410-E432 WeakPolarHBondContact CD-OE1 3.19Å; R410-E432 IonicContact CZ-OE1 3.6Å; R410-E432 IonicContact NE-OE1 3.73Å; R410-E432 IonicContact NH1-OE1 2.81Å; R410-E432 PolarHBondContact NH1-OE1 2.97Å; I428-E432 HydrophobicContact CG2-CG 4.14Å; I428-E432 WeakPolarHBondContact O-CB 3.26Å; I428-E432 PolarHBondContact O-N 3.35Å; E432-Y436 VanDerWaalsContact O-CD2 3.22Å; E432-Y436 WeakPolarHBondContact O-CD2 3.44Å; E432-Y436 VanDerWaalsContact O-CE2 3.26Å; E432-Y436 WeakPolarHBondContact O-CE2 3.32Å
433	L	91.7	Very high	90.8	Very high	47 Å²	47	37.6 Å²	37.6	25%	0.246	19%	0.189	C	C	.	.	I	π-helix	trans	-106.9	-50.9	-176.7	-63.3	178.6	0	0	0	112.1	T407 V429 Y436 L478	T407-L433 HydrophobicContact CG2-CD1 4.39Å; T407-L433 HydrophobicContact CG2-CD2 4.33Å; T407-L433 HydrophobicContact CG2-CG 4.36Å; T407-L433 VanDerWaalsContact OG1-CD2 3.29Å; T407-L433 WeakPolarHBondContact OG1-CD2 3.29Å; V429-L433 HydrophobicContact CG1-CB 4.5Å; V429-L433 HydrophobicContact CG2-CD1 4.35Å; V429-L433 WeakPolarHBondContact O-CB 3.4Å; V429-L433 PolarHBondContact O-N 3Å; V429-L433 VanDerWaalsContact O-N 3.1Å; L433-Y436 PolarHBondContact O-N 3.16Å; L433-L478 HydrophobicContact CD1-CD1 4.4Å
434	L	90.3	Very high	91	Very high	8 Å²	8	32.6 Å²	32.6	4%	0.042	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-60.1	-29.3	-174	-68.8	-170.4	0	0	0	115.8	V429 D430 Y436 V437 V439 R467 L470 K471	V429-L434 HydrophobicContact CG1-CD2 4.43Å; V429-L434 HydrophobicContact CG1-CG 4.09Å; V429-L434 PolarHBondContact O-N 2.77Å; D430-L434 HydrophobicContact CB-CD1 4.38Å; D430-L434 WeakPolarHBondContact OD1-CD1 3.39Å; L434-Y436 PolarHBondContact O-N 3.31Å; L434-V437 HydrophobicContact CD2-CB 4.44Å; L434-V437 PolarHBondContact O-N 2.68Å; L434-V439 HydrophobicContact CD2-CG2 4.24Å; L434-R467 HydrophobicContact CD1-CG 3.76Å; L434-L470 HydrophobicContact CD2-CB 4.19Å; L434-L470 HydrophobicContact CD2-CD1 4.15Å; L434-K471 HydrophobicContact CD1-CD 4.37Å; L434-K471 HydrophobicContact CD1-CG 3.62Å
435	P	91.7	Very high	91	Very high	79 Å²	79	30.9 Å²	30.9	51%	0.513	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-62	-27.9	174.7	-26.1	37.5	0	0	0	113.7	D430 Q431 V437	D430-P435 WeakPolarHBondContact O-CD 3.15Å; Q431-P435 VanDerWaalsContact O-CG 3.27Å; Q431-P435 WeakPolarHBondContact O-CG 3.17Å; P435-V437 VanDerWaalsContact C-N 3.33Å
436	Y	91.4	Very high	91	Very high	33 Å²	33	30.9 Å²	30.9	13%	0.129	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-86.3	-7	177.4	-58.5	-86.2	0	0	0	112.4	L399 E402 A403 E432 L433 L434 W521 Q531 A532	L399-Y436 HydrophobicContact CB-CD1 4.09Å; L399-Y436 HydrophobicContact CB-CE1 4.21Å; L399-Y436 HydrophobicContact CD2-CD1 4.19Å; L399-Y436 HydrophobicContact CD2-CE1 3.81Å; E402-Y436 PolarHBondContact OE1-OH 3.45Å; E402-Y436 PolarHBondContact OE2-OH 3.27Å; A403-Y436 HydrophobicContact CB-CD1 4.49Å; A403-Y436 HydrophobicContact CB-CD2 3.69Å; A403-Y436 HydrophobicContact CB-CE2 3.74Å; A403-Y436 HydrophobicContact CB-CG 4.08Å; E432-Y436 VanDerWaalsContact O-CD2 3.22Å; E432-Y436 WeakPolarHBondContact O-CD2 3.44Å; E432-Y436 VanDerWaalsContact O-CE2 3.26Å; E432-Y436 WeakPolarHBondContact O-CE2 3.32Å; L433-Y436 PolarHBondContact O-N 3.16Å; L434-Y436 PolarHBondContact O-N 3.31Å; Y436-W521 HydrophobicContact CD1-CH2 4.21Å; Y436-W521 HydrophobicContact CG-CH2 4.5Å; Y436-Q531 CarbonylContact O-C 3.51Å; Y436-Q531 WeakPolarHBondContact O-CA 3.09Å; Y436-A532 PolarHBondContact O-N 3.38Å
437	V	92	Very high	90.7	Very high	31 Å²	31	28.2 Å²	28.2	19%	0.188	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-103.5	130	-176.3	179.5	0	0	0	0	111	L434 P435 V439 A532	L434-V437 HydrophobicContact CD2-CB 4.44Å; L434-V437 PolarHBondContact O-N 2.68Å; P435-V437 VanDerWaalsContact C-N 3.33Å; V437-V439 VanDerWaalsContact C-N 3.28Å; V437-V439 HydrophobicContact CB-CG2 4.39Å; V437-V439 HydrophobicContact CG1-CG2 4.12Å; V437-V439 PolarHBondContact O-N 2.76Å; V437-A532 CarbonylContact C-O 3.6Å; V437-A532 VanDerWaalsContact CA-O 3.28Å; V437-A532 WeakPolarHBondContact CA-O 3.39Å; V437-A532 HydrophobicContact CG2-CB 4.35Å
438	Q	91.8	Very high	90.4	Very high	16 Å²	16	25.7 Å²	25.7	8%	0.075	13%	0.132	C	C	.	.			trans	-81.6	74.3	173.4	-159.7	176.8	17.7	0	0	111.1	K440 Y441 A442 N524 Q531 A532	Q438-K440 PolarHBondContact O-N 2.72Å; Q438-Y441 WeakPolarHBondContact O-CB 3.1Å; Q438-Y441 PolarHBondContact O-N 2.99Å; Q438-A442 PolarHBondContact O-N 3.25Å; Q438-N524 PolarHBondContact NE2-ND2 3.35Å; Q438-Q531 HydrophobicContact CB-CB 3.81Å; Q438-A532 PolarHBondContact N-O 3.23Å
439	V	90.9	Very high	90	Very high	21 Å²	21	31.3 Å²	31.3	13%	0.127	16%	0.158	C	C	.	.	H	α-helix	trans	-54.8	-44.2	-171.1	-178.1	0	0	0	0	113.4	L434 V437 Y441 A442 G443 F466 R467 L470	L434-V439 HydrophobicContact CD2-CG2 4.24Å; V437-V439 VanDerWaalsContact C-N 3.28Å; V437-V439 HydrophobicContact CB-CG2 4.39Å; V437-V439 HydrophobicContact CG1-CG2 4.12Å; V437-V439 PolarHBondContact O-N 2.76Å; V439-Y441 VanDerWaalsContact C-N 3.34Å; V439-Y441 PolarHBondContact O-N 3.11Å; V439-A442 PolarHBondContact O-N 3.08Å; V439-G443 PolarHBondContact O-N 2.84Å; V439-F466 HydrophobicContact CG1-CD1 3.8Å; V439-F466 HydrophobicContact CG1-CE1 4.33Å; V439-R467 HydrophobicContact CG1-CB 4.01Å; V439-R467 HydrophobicContact CG1-CG 4.36Å; V439-L470 HydrophobicContact CG1-CD1 4.19Å; V439-L470 HydrophobicContact CG2-CD1 4.33Å
440	K	90.7	Very high	89.6	Confident	85 Å²	85	33.1 Å²	33.1	37%	0.37	17%	0.165	S	C	.	.	H	α-helix	trans	-62.9	-40.4	179	-66.8	-163.1	177.4	-162.5	0	111.8	L344 Q438 A444 E460 F463	L344-K440 HydrophobicContact CD2-CB 4.09Å; Q438-K440 PolarHBondContact O-N 2.72Å; K440-A444 VanDerWaalsContact O-CB 3.28Å; K440-A444 WeakPolarHBondContact O-CB 3.26Å; K440-A444 PolarHBondContact O-N 3.4Å; K440-E460 VanDerWaalsContact NZ-CD 3.3Å; K440-E460 IonicContact NZ-OE1 3.26Å; K440-E460 PolarHBondContact NZ-OE1 3.49Å; K440-E460 IonicContact NZ-OE2 2.92Å; K440-E460 PolarHBondContact NZ-OE2 2.95Å; K440-F463 HydrophobicContact CB-CD1 4.34Å; K440-F463 HydrophobicContact CB-CD2 4.36Å; K440-F463 HydrophobicContact CB-CE1 4.25Å; K440-F463 HydrophobicContact CB-CE2 4.27Å; K440-F463 HydrophobicContact CB-CG 4.38Å; K440-F463 HydrophobicContact CB-CZ 4.19Å; K440-F463 HydrophobicContact CD-CD2 3.91Å; K440-F463 HydrophobicContact CD-CE2 4.15Å; K440-F463 HydrophobicContact CD-CG 4.46Å; K440-F463 HydrophobicContact CG-CB 4.28Å; K440-F463 HydrophobicContact CG-CD1 4.37Å; K440-F463 HydrophobicContact CG-CD2 3.9Å; K440-F463 HydrophobicContact CG-CE2 4.24Å; K440-F463 HydrophobicContact CG-CG 3.96Å; K440-F463 WeakPolarHBondContact O-CE1 3.43Å
441	Y	90.9	Very high	89.3	Confident	9 Å²	9	31.5 Å²	31.5	4%	0.035	16%	0.156	C	C	.	.	H	α-helix	trans	-68.3	-47.8	178	-176.5	-95.1	0	0	0	111.7	T317 F339 Q438 V439 G443 A444 L445 R522 Y533	T317-Y441 HydrophobicContact CG2-CE2 3.78Å; F339-Y441 AromaticContact CE1-CD2 3.8Å; F339-Y441 HydrophobicContact CE1-CD2 3.8Å; F339-Y441 AromaticContact CE1-CE2 3.7Å; F339-Y441 HydrophobicContact CE1-CE2 3.7Å; F339-Y441 HydrophobicContact CE1-CG 4.43Å; F339-Y441 AromaticContact CZ-CD2 3.44Å; F339-Y441 HydrophobicContact CZ-CD2 3.44Å; F339-Y441 VanDerWaalsContact CZ-CD2 3.44Å; F339-Y441 AromaticContact CZ-CE2 3.58Å; F339-Y441 HydrophobicContact CZ-CE2 3.58Å; F339-Y441 HydrophobicContact CZ-CG 4.33Å; Q438-Y441 WeakPolarHBondContact O-CB 3.1Å; Q438-Y441 PolarHBondContact O-N 2.99Å; V439-Y441 VanDerWaalsContact C-N 3.34Å; V439-Y441 PolarHBondContact O-N 3.11Å; Y441-G443 VanDerWaalsContact C-N 3.33Å; Y441-G443 PolarHBondContact O-N 3.37Å; Y441-A444 PolarHBondContact O-N 3.28Å; Y441-L445 HydrophobicContact CD1-CD1 3.85Å; Y441-L445 HydrophobicContact CD1-CG 4.33Å; Y441-L445 HydrophobicContact CE1-CD1 3.38Å; Y441-L445 HydrophobicContact CE1-CG 3.99Å; Y441-L445 PolarHBondContact O-N 3.27Å; Y441-R522 VanDerWaalsContact CE2-NH1 3.26Å; Y441-Y533 HydrophobicContact CD1-CD2 4.07Å; Y441-Y533 AromaticContact CD1-CG 3.95Å; Y441-Y533 HydrophobicContact CD1-CG 3.95Å; Y441-Y533 HydrophobicContact CE1-CD1 4.43Å; Y441-Y533 AromaticContact CE1-CD2 3.78Å; Y441-Y533 HydrophobicContact CE1-CD2 3.78Å; Y441-Y533 HydrophobicContact CE1-CE2 4.22Å; Y441-Y533 AromaticContact CE1-CG 3.89Å; Y441-Y533 HydrophobicContact CE1-CG 3.89Å
442	A	91.7	Very high	88.7	Confident	3 Å²	3	32 Å²	32	3%	0.025	16%	0.157	C	C	.	.	H	α-helix	trans	-58.4	-45.6	175.5	0	0	0	0	0	111.6	Q438 V439 A444 L445 V446 F466 Y533 I543	Q438-A442 PolarHBondContact O-N 3.25Å; V439-A442 PolarHBondContact O-N 3.08Å; A442-A444 VanDerWaalsContact C-N 3.34Å; A442-A444 PolarHBondContact O-N 3.24Å; A442-L445 PolarHBondContact O-N 2.92Å; A442-V446 WeakPolarHBondContact O-CG2 3.26Å; A442-V446 PolarHBondContact O-N 3.2Å; A442-F466 HydrophobicContact CB-CE1 4.05Å; A442-F466 HydrophobicContact CB-CZ 4.47Å; A442-Y533 VanDerWaalsContact CB-O 3.26Å; A442-Y533 WeakPolarHBondContact CB-O 3.39Å; A442-I543 HydrophobicContact CB-CD1 4.17Å
443	G	89.6	Confident	88.1	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63	-39.2	177	0	0	0	0	0	112.6	V439 Y441 V446 L447 Y462 F466	V439-G443 PolarHBondContact O-N 2.84Å; Y441-G443 VanDerWaalsContact C-N 3.33Å; Y441-G443 PolarHBondContact O-N 3.37Å; G443-V446 PolarHBondContact O-N 3.05Å; G443-L447 PolarHBondContact O-N 3.38Å; G443-Y462 VanDerWaalsContact O-CE1 3.31Å; G443-Y462 WeakPolarHBondContact O-CE1 3.08Å; G443-Y462 PolarHBondContact O-OH 2.73Å; G443-F466 VanDerWaalsContact CA-CE1 3.43Å; G443-F466 VanDerWaalsContact N-CE1 3.32Å
444	A	90.1	Very high	87.4	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-68.1	-37.4	177.1	0	0	0	0	0	112	F339 L344 K440 Y441 A442 L447 G448 Y451 F463	F339-A444 VanDerWaalsContact CD1-C 3.48Å; F339-A444 HydrophobicContact CD1-CB 3.57Å; F339-A444 HydrophobicContact CD2-CB 3.78Å; F339-A444 HydrophobicContact CE1-CB 3.58Å; F339-A444 HydrophobicContact CE2-CB 3.8Å; F339-A444 HydrophobicContact CG-CB 3.68Å; F339-A444 HydrophobicContact CZ-CB 3.68Å; L344-A444 HydrophobicContact CD1-CB 4.04Å; K440-A444 VanDerWaalsContact O-CB 3.28Å; K440-A444 WeakPolarHBondContact O-CB 3.26Å; K440-A444 PolarHBondContact O-N 3.4Å; Y441-A444 PolarHBondContact O-N 3.28Å; A442-A444 VanDerWaalsContact C-N 3.34Å; A442-A444 PolarHBondContact O-N 3.24Å; A444-L447 PolarHBondContact O-N 3.05Å; A444-G448 PolarHBondContact O-N 2.72Å; A444-Y451 HydrophobicContact CB-CD2 3.79Å; A444-Y451 HydrophobicContact CB-CE2 3.73Å; A444-F463 HydrophobicContact CB-CE1 4.26Å; A444-F463 HydrophobicContact CB-CZ 4.33Å
445	L	89.7	Confident	87	Confident	12 Å²	12	36.1 Å²	36.1	6%	0.063	19%	0.192	C	C	.	.	H	α-helix	trans	-62.1	-40.4	171.9	-76.6	175.4	0	0	0	112.6	T317 F339 Y441 A442 L447 G448 Y533 I543	T317-L445 WeakPolarHBondContact O-CD2 3.42Å; F339-L445 HydrophobicContact CD1-CD2 3.95Å; F339-L445 HydrophobicContact CD1-CG 4.16Å; F339-L445 HydrophobicContact CE1-CD2 3.98Å; F339-L445 HydrophobicContact CE1-CG 3.92Å; Y441-L445 HydrophobicContact CD1-CD1 3.85Å; Y441-L445 HydrophobicContact CD1-CG 4.33Å; Y441-L445 HydrophobicContact CE1-CD1 3.38Å; Y441-L445 HydrophobicContact CE1-CG 3.99Å; Y441-L445 PolarHBondContact O-N 3.27Å; A442-L445 PolarHBondContact O-N 2.92Å; L445-L447 VanDerWaalsContact C-N 3.27Å; L445-L447 PolarHBondContact O-N 2.65Å; L445-G448 PolarHBondContact O-N 2.71Å; L445-G448 VanDerWaalsContact O-N 3.1Å; L445-Y533 HydrophobicContact CD1-CD2 3.4Å; L445-Y533 VanDerWaalsContact CD1-CD2 3.4Å; L445-Y533 HydrophobicContact CD1-CE2 3.55Å; L445-I543 HydrophobicContact CB-CD1 4.06Å; L445-I543 HydrophobicContact CB-CG2 3.79Å; L445-I543 HydrophobicContact CD1-CD1 3.74Å
446	V	88.2	Confident	86.5	Confident	5 Å²	5	37.3 Å²	37.3	3%	0.03	20%	0.2	C	C	.	.	H	α-helix	trans	-61.8	-36.5	175.6	173.4	0	0	0	0	111.4	A442 G443 F466 I543 K546 W550	A442-V446 WeakPolarHBondContact O-CG2 3.26Å; A442-V446 PolarHBondContact O-N 3.2Å; G443-V446 PolarHBondContact O-N 3.05Å; V446-F466 HydrophobicContact CB-CE2 4.49Å; V446-F466 HydrophobicContact CG2-CE2 4.04Å; V446-F466 HydrophobicContact CG2-CZ 4.06Å; V446-I543 HydrophobicContact CG2-CB 4.41Å; V446-I543 HydrophobicContact CG2-CG1 4.15Å; V446-I543 HydrophobicContact CG2-CG2 4.18Å; V446-K546 HydrophobicContact CG1-CB 4.06Å; V446-K546 HydrophobicContact CG1-CG 4.01Å; V446-K546 HydrophobicContact CG2-CB 4.38Å; V446-W550 HydrophobicContact CG1-CD2 4.11Å; V446-W550 HydrophobicContact CG1-CE3 3.36Å; V446-W550 HydrophobicContact CG1-CZ3 3.6Å
447	L	85.4	Confident	85.9	Confident	18 Å²	18	39.4 Å²	39.4	9%	0.094	22%	0.224	C	C	.	.	H	α-helix	trans	-72.3	-33.5	172.6	-67.3	176.6	0	0	0	112.7	G443 A444 L445 Q449 Y450 Y451 Y462 L554	G443-L447 PolarHBondContact O-N 3.38Å; A444-L447 PolarHBondContact O-N 3.05Å; L445-L447 VanDerWaalsContact C-N 3.27Å; L445-L447 PolarHBondContact O-N 2.65Å; L447-Q449 PolarHBondContact O-N 2.71Å; L447-Y450 WeakPolarHBondContact O-CB 3.32Å; L447-Y450 WeakPolarHBondContact O-CD2 3.27Å; L447-Y450 PolarHBondContact O-N 3.33Å; L447-Y451 HydrophobicContact CD1-CD2 3.98Å; L447-Y462 HydrophobicContact CD1-CD1 3.63Å; L447-Y462 HydrophobicContact CD1-CE1 3.43Å; L447-Y462 VanDerWaalsContact CD1-CE1 3.43Å; L447-Y462 HydrophobicContact CD1-CE2 4.4Å; L447-Y462 HydrophobicContact CD1-CG 4.19Å; L447-Y462 HydrophobicContact CD2-CD2 4.43Å; L447-Y462 HydrophobicContact CD2-CE1 4.31Å; L447-Y462 HydrophobicContact CD2-CE2 3.91Å; L447-Y462 HydrophobicContact CG-CD1 4.32Å; L447-Y462 HydrophobicContact CG-CE1 3.68Å; L447-Y462 HydrophobicContact CG-CE2 4.17Å; L447-L554 HydrophobicContact CD2-CD1 4.41Å
448	G	85.5	Confident	85.4	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	52	-123.3	-178	0	0	0	0	0	112	A444 L445 Y450 Y451	A444-G448 PolarHBondContact O-N 2.72Å; L445-G448 PolarHBondContact O-N 2.71Å; L445-G448 VanDerWaalsContact O-N 3.1Å; G448-Y450 PolarHBondContact O-N 2.72Å; G448-Y451 WeakPolarHBondContact O-CB 3.22Å; G448-Y451 PolarHBondContact O-N 3.49Å; G448-Y451 VanDerWaalsContact O-N 3.1Å
449	Q	81.7	Confident	85	Confident	119 Å²	119	43.7 Å²	43.7	56%	0.556	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-59.6	-28.4	179.2	66.4	-175.6	0.3	0	0	114.6	L447 Y451	L447-Q449 PolarHBondContact O-N 2.71Å; Q449-Y451 PolarHBondContact O-N 2.74Å
450	Y	82.8	Confident	84.7	Confident	38 Å²	38	47.8 Å²	47.8	15%	0.149	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-74.7	-8.1	179.9	-60.1	-72.8	0	0	0	113	L447 G448 K452 S453 L554	L447-Y450 WeakPolarHBondContact O-CB 3.32Å; L447-Y450 WeakPolarHBondContact O-CD2 3.27Å; L447-Y450 PolarHBondContact O-N 3.33Å; G448-Y450 PolarHBondContact O-N 2.72Å; Y450-K452 VanDerWaalsContact C-N 3.26Å; Y450-K452 PolarHBondContact O-N 3.29Å; Y450-S453 PolarHBondContact O-N 3.32Å; Y450-S453 PolarHBondContact O-OG 2.74Å; Y450-L554 HydrophobicContact CD1-CB 4.4Å; Y450-L554 HydrophobicContact CD2-CB 4.27Å; Y450-L554 HydrophobicContact CD2-CD1 3.69Å; Y450-L554 HydrophobicContact CE1-CB 4.34Å; Y450-L554 HydrophobicContact CE2-CB 4.22Å; Y450-L554 HydrophobicContact CE2-CD1 4.33Å; Y450-L554 HydrophobicContact CG-CB 4.36Å; Y450-L554 HydrophobicContact CG-CD1 3.88Å
451	Y	84.6	Confident	84.2	Confident	6 Å²	6	46.8 Å²	46.8	2%	0.024	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-56.2	-41.9	175	-173.9	-99.9	0	0	0	112.2	F339 D341 A444 L447 G448 Q449 S453 A454 R459 F463	F339-Y451 HydrophobicContact CB-CD1 4.1Å; F339-Y451 HydrophobicContact CB-CG 3.88Å; F339-Y451 HydrophobicContact CD2-CD1 4.09Å; F339-Y451 HydrophobicContact CD2-CE1 4.19Å; F339-Y451 HydrophobicContact CD2-CG 4.36Å; F339-Y451 HydrophobicContact CG-CG 4.4Å; D341-Y451 HydrophobicContact CB-CE1 3.66Å; D341-Y451 VanDerWaalsContact OD2-CE1 3.24Å; D341-Y451 WeakPolarHBondContact OD2-CE1 3.22Å; D341-Y451 VanDerWaalsContact OD2-CZ 3.26Å; D341-Y451 PolarHBondContact OD2-OH 2.86Å; A444-Y451 HydrophobicContact CB-CD2 3.79Å; A444-Y451 HydrophobicContact CB-CE2 3.73Å; L447-Y451 HydrophobicContact CD1-CD2 3.98Å; G448-Y451 WeakPolarHBondContact O-CB 3.22Å; G448-Y451 PolarHBondContact O-N 3.49Å; G448-Y451 VanDerWaalsContact O-N 3.1Å; Q449-Y451 PolarHBondContact O-N 2.74Å; Y451-S453 VanDerWaalsContact C-N 3.32Å; Y451-S453 PolarHBondContact O-N 3Å; Y451-A454 PolarHBondContact O-N 3.2Å; Y451-R459 VanDerWaalsContact CE1-NH1 3.32Å; Y451-R459 HydrophobicContact CE2-CG 4.11Å; Y451-R459 PolarHBondContact O-NE 2.72Å; Y451-R459 VanDerWaalsContact O-NE 3.17Å; Y451-R459 PolarHBondContact O-NH2 3.48Å; Y451-F463 AromaticContact CE2-CZ 3.79Å; Y451-F463 HydrophobicContact CE2-CZ 3.79Å
452	K	81.1	Confident	83.9	Confident	110 Å²	110	48.4 Å²	48.4	48%	0.478	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-33.4	-178.4	-72.2	-173.7	176.4	-177.1	0	113.4	H313 E340 Y450 A454	H313-K452 PolarHBondContact NE2-NZ 2.94Å; E340-K452 WeakPolarHBondContact OE2-CE 3.29Å; E340-K452 IonicContact OE2-NZ 2.82Å; E340-K452 PolarHBondContact OE2-NZ 2.89Å; Y450-K452 VanDerWaalsContact C-N 3.26Å; Y450-K452 PolarHBondContact O-N 3.29Å; K452-A454 VanDerWaalsContact C-N 3.31Å; K452-A454 PolarHBondContact O-N 3.47Å
453	S	77.6	Confident	83.7	Confident	84 Å²	84	48.9 Å²	48.9	59%	0.587	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-18.5	-179.7	45.8	0	0	0	0	114.1	Y450 Y451	Y450-S453 PolarHBondContact O-N 3.32Å; Y450-S453 PolarHBondContact O-OG 2.74Å; Y451-S453 VanDerWaalsContact C-N 3.32Å; Y451-S453 PolarHBondContact O-N 3Å
454	A	77.9	Confident	83.4	Confident	20 Å²	20	51.8 Å²	51.8	17%	0.165	30%	0.297	C	S	.	.	S	Bend	trans	-83.1	137.7	179.8	0	0	0	0	0	111.6	Y451 K452 Q458 R459	Y451-A454 PolarHBondContact O-N 3.2Å; K452-A454 VanDerWaalsContact C-N 3.31Å; K452-A454 PolarHBondContact O-N 3.47Å; A454-Q458 HydrophobicContact CB-CB 4.36Å; A454-R459 HydrophobicContact CB-CG 3.79Å; A454-R459 PolarHBondContact O-NE 3.47Å; A454-R459 PolarHBondContact O-NH2 2.93Å; A454-R459 VanDerWaalsContact O-NH2 3.09Å
455	T	81.8	Confident	83	Confident	70 Å²	70	53.9 Å²	53.9	43%	0.429	32%	0.315	S	S	.	.			trans	-71.1	158	172.4	69.3	0	0	0	0	111.1	A457 Q458 R459	T455-A457 VanDerWaalsContact C-N 3.27Å; T455-A457 PolarHBondContact O-N 3.48Å; T455-Q458 WeakPolarHBondContact O-CB 3.28Å; T455-Q458 PolarHBondContact O-N 3.25Å; T455-Q458 VanDerWaalsContact OG1-CG 3.29Å; T455-Q458 WeakPolarHBondContact OG1-CG 3.46Å; T455-Q458 PolarHBondContact OG1-N 2.84Å; T455-Q458 PolarHBondContact OG1-OE1 2.86Å; T455-R459 WeakPolarHBondContact O-CG 3.29Å; T455-R459 PolarHBondContact O-N 2.83Å
456	P	81.1	Confident	82.8	Confident	103 Å²	103	53.8 Å²	53.8	67%	0.669	31%	0.314	S	S	*	.	H	α-helix	trans	-53.5	-40.4	177.1	-28.6	36	0	0	0	113.9	R459 E460	P456-R459 PolarHBondContact O-N 3.29Å; P456-E460 PolarHBondContact O-N 3.41Å
457	A	79	Confident	82.8	Confident	77 Å²	77	58.7 Å²	58.7	64%	0.636	33%	0.332	S	S	*	.	H	α-helix	trans	-66.1	-40.2	176.7	0	0	0	0	0	112.7	T455 R459 E460 A461	T455-A457 VanDerWaalsContact C-N 3.27Å; T455-A457 PolarHBondContact O-N 3.48Å; A457-R459 VanDerWaalsContact C-N 3.33Å; A457-E460 PolarHBondContact O-N 2.92Å; A457-A461 PolarHBondContact O-N 2.96Å; A457-A461 VanDerWaalsContact O-N 3.09Å
458	Q	81.7	Confident	82.9	Confident	93 Å²	93	61.5 Å²	61.5	44%	0.435	34%	0.344	S	S	.	.	H	α-helix	trans	-64.6	-38.9	174.5	-73.8	171	-24.9	0	0	111.5	A454 T455 Y462	A454-Q458 HydrophobicContact CB-CB 4.36Å; T455-Q458 WeakPolarHBondContact O-CB 3.28Å; T455-Q458 PolarHBondContact O-N 3.25Å; T455-Q458 VanDerWaalsContact OG1-CG 3.29Å; T455-Q458 WeakPolarHBondContact OG1-CG 3.46Å; T455-Q458 PolarHBondContact OG1-N 2.84Å; T455-Q458 PolarHBondContact OG1-OE1 2.86Å; Q458-Y462 WeakPolarHBondContact O-CB 3.06Å; Q458-Y462 PolarHBondContact O-N 3.29Å
459	R	83.8	Confident	82.9	Confident	45 Å²	45	65.2 Å²	65.2	17%	0.17	36%	0.359	C	S	.	.	H	α-helix	trans	-63.9	-45.6	176.2	-66.9	171.1	-171.9	177.4	7.6	111.5	D341 Y451 A454 T455 P456 A457 Y462 F463	D341-R459 IonicContact OD2-NH1 3.51Å; Y451-R459 VanDerWaalsContact CE1-NH1 3.32Å; Y451-R459 HydrophobicContact CE2-CG 4.11Å; Y451-R459 PolarHBondContact O-NE 2.72Å; Y451-R459 VanDerWaalsContact O-NE 3.17Å; Y451-R459 PolarHBondContact O-NH2 3.48Å; A454-R459 HydrophobicContact CB-CG 3.79Å; A454-R459 PolarHBondContact O-NE 3.47Å; A454-R459 PolarHBondContact O-NH2 2.93Å; A454-R459 VanDerWaalsContact O-NH2 3.09Å; T455-R459 WeakPolarHBondContact O-CG 3.29Å; T455-R459 PolarHBondContact O-N 2.83Å; P456-R459 PolarHBondContact O-N 3.29Å; A457-R459 VanDerWaalsContact C-N 3.33Å; R459-Y462 WeakPolarHBondContact O-CB 3.37Å; R459-Y462 PolarHBondContact O-N 3.24Å; R459-F463 HydrophobicContact CB-CD2 4.42Å; R459-F463 HydrophobicContact CB-CE2 3.99Å; R459-F463 WeakPolarHBondContact O-CD2 3.13Å; R459-F463 WeakPolarHBondContact O-CG 3.08Å; R459-F463 PolarHBondContact O-N 2.97Å
460	E	83.3	Confident	83.2	Confident	107 Å²	107	60.3 Å²	60.3	50%	0.5	34%	0.336	S	S	.	.	H	α-helix	trans	-62.7	-45.4	179.1	-160.4	72.4	-167.1	0	0	111.4	K440 P456 A457 Y462 F463 A464	K440-E460 VanDerWaalsContact NZ-CD 3.3Å; K440-E460 IonicContact NZ-OE1 3.26Å; K440-E460 PolarHBondContact NZ-OE1 3.49Å; K440-E460 IonicContact NZ-OE2 2.92Å; K440-E460 PolarHBondContact NZ-OE2 2.95Å; P456-E460 PolarHBondContact O-N 3.41Å; A457-E460 PolarHBondContact O-N 2.92Å; E460-Y462 PolarHBondContact O-N 3.3Å; E460-F463 PolarHBondContact O-N 3.38Å; E460-A464 PolarHBondContact O-N 3.43Å
461	A	80.6	Confident	83.4	Confident	64 Å²	64	59.5 Å²	59.5	53%	0.529	33%	0.333	S	S	.	.	H	α-helix	trans	-62.1	-42	174.6	0	0	0	0	0	112.1	A457 A464 A465	A457-A461 PolarHBondContact O-N 2.96Å; A457-A461 VanDerWaalsContact O-N 3.09Å; A461-A464 PolarHBondContact O-N 2.96Å; A461-A465 PolarHBondContact O-N 2.85Å
462	Y	84.3	Confident	83.5	Confident	42 Å²	42	64.5 Å²	64.5	17%	0.165	36%	0.357	C	S	.	.	H	α-helix	trans	-60.9	-45.6	174.5	165.4	-99.9	0	0	0	111.9	G443 L447 Q458 R459 E460 A464 A465 F466 W550	G443-Y462 VanDerWaalsContact O-CE1 3.31Å; G443-Y462 WeakPolarHBondContact O-CE1 3.08Å; G443-Y462 PolarHBondContact O-OH 2.73Å; L447-Y462 HydrophobicContact CD1-CD1 3.63Å; L447-Y462 HydrophobicContact CD1-CE1 3.43Å; L447-Y462 VanDerWaalsContact CD1-CE1 3.43Å; L447-Y462 HydrophobicContact CD1-CE2 4.4Å; L447-Y462 HydrophobicContact CD1-CG 4.19Å; L447-Y462 HydrophobicContact CD2-CD2 4.43Å; L447-Y462 HydrophobicContact CD2-CE1 4.31Å; L447-Y462 HydrophobicContact CD2-CE2 3.91Å; L447-Y462 HydrophobicContact CG-CD1 4.32Å; L447-Y462 HydrophobicContact CG-CE1 3.68Å; L447-Y462 HydrophobicContact CG-CE2 4.17Å; Q458-Y462 WeakPolarHBondContact O-CB 3.06Å; Q458-Y462 PolarHBondContact O-N 3.29Å; R459-Y462 WeakPolarHBondContact O-CB 3.37Å; R459-Y462 PolarHBondContact O-N 3.24Å; E460-Y462 PolarHBondContact O-N 3.3Å; Y462-A464 VanDerWaalsContact C-N 3.31Å; Y462-A464 PolarHBondContact O-N 2.95Å; Y462-A465 PolarHBondContact O-N 3.29Å; Y462-F466 HydrophobicContact CE1-CB 4.44Å; Y462-F466 VanDerWaalsContact O-CB 3.24Å; Y462-F466 WeakPolarHBondContact O-CB 3.47Å; Y462-F466 PolarHBondContact O-N 3.37Å; Y462-W550 HydrophobicContact CE2-CE3 4.37Å; Y462-W550 HydrophobicContact CE2-CH2 4.43Å; Y462-W550 AromaticContact CE2-CZ3 3.62Å; Y462-W550 HydrophobicContact CE2-CZ3 3.62Å; Y462-W550 WeakPolarHBondContact OH-CZ3 3.35Å
463	F	87.3	Confident	83.6	Confident	14 Å²	14	60.7 Å²	60.7	6%	0.061	35%	0.346	C	S	.	.	H	α-helix	trans	-64.7	-36.5	179.5	-66.1	-43.3	0	0	0	112.3	K440 A444 Y451 R459 E460 F466 R467	K440-F463 HydrophobicContact CB-CD1 4.34Å; K440-F463 HydrophobicContact CB-CD2 4.36Å; K440-F463 HydrophobicContact CB-CE1 4.25Å; K440-F463 HydrophobicContact CB-CE2 4.27Å; K440-F463 HydrophobicContact CB-CG 4.38Å; K440-F463 HydrophobicContact CB-CZ 4.19Å; K440-F463 HydrophobicContact CD-CD2 3.91Å; K440-F463 HydrophobicContact CD-CE2 4.15Å; K440-F463 HydrophobicContact CD-CG 4.46Å; K440-F463 HydrophobicContact CG-CB 4.28Å; K440-F463 HydrophobicContact CG-CD1 4.37Å; K440-F463 HydrophobicContact CG-CD2 3.9Å; K440-F463 HydrophobicContact CG-CE2 4.24Å; K440-F463 HydrophobicContact CG-CG 3.96Å; K440-F463 WeakPolarHBondContact O-CE1 3.43Å; A444-F463 HydrophobicContact CB-CE1 4.26Å; A444-F463 HydrophobicContact CB-CZ 4.33Å; Y451-F463 AromaticContact CE2-CZ 3.79Å; Y451-F463 HydrophobicContact CE2-CZ 3.79Å; R459-F463 HydrophobicContact CB-CD2 4.42Å; R459-F463 HydrophobicContact CB-CE2 3.99Å; R459-F463 WeakPolarHBondContact O-CD2 3.13Å; R459-F463 WeakPolarHBondContact O-CG 3.08Å; R459-F463 PolarHBondContact O-N 2.97Å; E460-F463 PolarHBondContact O-N 3.38Å; F463-F466 PolarHBondContact O-N 2.85Å; F463-R467 WeakPolarHBondContact O-CB 3.43Å; F463-R467 PolarHBondContact O-N 2.9Å
464	A	83	Confident	84	Confident	60 Å²	60	59.3 Å²	59.3	50%	0.496	33%	0.329	S	S	.	.	H	α-helix	trans	-63.1	-47.6	172.6	0	0	0	0	0	111.4	E460 A461 Y462 F466 R467 E468	E460-A464 PolarHBondContact O-N 3.43Å; A461-A464 PolarHBondContact O-N 2.96Å; Y462-A464 VanDerWaalsContact C-N 3.31Å; Y462-A464 PolarHBondContact O-N 2.95Å; A464-F466 PolarHBondContact O-N 3.35Å; A464-R467 WeakPolarHBondContact O-CB 3.23Å; A464-R467 PolarHBondContact O-N 3.46Å; A464-E468 PolarHBondContact O-N 2.78Å
465	A	81.9	Confident	84.5	Confident	45 Å²	45	58.5 Å²	58.5	37%	0.372	32%	0.323	S	S	.	.	H	α-helix	trans	-64.4	-39.6	176.5	0	0	0	0	0	112.4	A461 Y462 R467 E468 Y469	A461-A465 PolarHBondContact O-N 2.85Å; Y462-A465 PolarHBondContact O-N 3.29Å; A465-R467 VanDerWaalsContact C-N 3.34Å; A465-R467 PolarHBondContact O-N 3.44Å; A465-E468 PolarHBondContact O-N 2.59Å; A465-Y469 WeakPolarHBondContact O-CB 3.29Å; A465-Y469 PolarHBondContact O-N 2.87Å
466	F	86.7	Confident	84.4	Confident	9 Å²	9	61.4 Å²	61.4	4%	0.039	33%	0.331	C	S	.	.	H	α-helix	trans	-64.2	-39.9	177.2	-175.5	-107.6	0	0	0	111.2	V439 A442 G443 V446 Y462 F463 A464 E468 Y469 L470 W550	V439-F466 HydrophobicContact CG1-CD1 3.8Å; V439-F466 HydrophobicContact CG1-CE1 4.33Å; A442-F466 HydrophobicContact CB-CE1 4.05Å; A442-F466 HydrophobicContact CB-CZ 4.47Å; G443-F466 VanDerWaalsContact CA-CE1 3.43Å; G443-F466 VanDerWaalsContact N-CE1 3.32Å; V446-F466 HydrophobicContact CB-CE2 4.49Å; V446-F466 HydrophobicContact CG2-CE2 4.04Å; V446-F466 HydrophobicContact CG2-CZ 4.06Å; Y462-F466 HydrophobicContact CE1-CB 4.44Å; Y462-F466 VanDerWaalsContact O-CB 3.24Å; Y462-F466 WeakPolarHBondContact O-CB 3.47Å; Y462-F466 PolarHBondContact O-N 3.37Å; F463-F466 PolarHBondContact O-N 2.85Å; A464-F466 PolarHBondContact O-N 3.35Å; F466-E468 VanDerWaalsContact C-N 3.34Å; F466-E468 PolarHBondContact O-N 3.44Å; F466-Y469 HydrophobicContact CD2-CD1 4.24Å; F466-Y469 HydrophobicContact CE2-CD1 4.22Å; F466-Y469 WeakPolarHBondContact O-CB 3.37Å; F466-Y469 PolarHBondContact O-N 3.49Å; F466-L470 HydrophobicContact CD1-CD1 4.17Å; F466-L470 HydrophobicContact CD1-CG 4.34Å; F466-L470 HydrophobicContact CE1-CD1 3.71Å; F466-L470 HydrophobicContact CE1-CD2 4.21Å; F466-L470 HydrophobicContact CE1-CG 4Å; F466-L470 HydrophobicContact CE2-CD2 4.38Å; F466-L470 HydrophobicContact CZ-CD1 4.27Å; F466-L470 HydrophobicContact CZ-CD2 3.92Å; F466-L470 HydrophobicContact CZ-CG 4.19Å; F466-L470 WeakPolarHBondContact O-CG 3.24Å; F466-L470 PolarHBondContact O-N 2.75Å; F466-W550 HydrophobicContact CD2-CH2 4.08Å; F466-W550 HydrophobicContact CD2-CZ3 4.24Å; F466-W550 HydrophobicContact CE2-CH2 4.46Å
467	R	87.9	Confident	84.5	Confident	109 Å²	109	59 Å²	59	41%	0.411	32%	0.321	S	S	.	.	H	α-helix	trans	-58.6	-46.6	172.5	-168.6	-175.9	175.2	162.6	-1.5	111.2	D430 L434 V439 F463 A464 A465 Y469 L470 K471	D430-R467 IonicContact OD1-CZ 3.55Å; D430-R467 IonicContact OD1-NE 2.71Å; D430-R467 PolarHBondContact OD1-NE 3.27Å; D430-R467 VanDerWaalsContact OD1-NE 3.12Å; D430-R467 IonicContact OD1-NH2 3.91Å; D430-R467 PolarHBondContact OD1-NH2 3.06Å; D430-R467 IonicContact OD2-NH2 2.85Å; L434-R467 HydrophobicContact CD1-CG 3.76Å; V439-R467 HydrophobicContact CG1-CB 4.01Å; V439-R467 HydrophobicContact CG1-CG 4.36Å; F463-R467 WeakPolarHBondContact O-CB 3.43Å; F463-R467 PolarHBondContact O-N 2.9Å; A464-R467 WeakPolarHBondContact O-CB 3.23Å; A464-R467 PolarHBondContact O-N 3.46Å; A465-R467 VanDerWaalsContact C-N 3.34Å; A465-R467 PolarHBondContact O-N 3.44Å; R467-Y469 VanDerWaalsContact C-N 3.34Å; R467-L470 PolarHBondContact O-N 3.5Å; R467-K471 WeakPolarHBondContact O-CG 3.38Å; R467-K471 PolarHBondContact O-N 2.55Å; R467-K471 VanDerWaalsContact O-N 3.07Å
468	E	86.9	Confident	84.9	Confident	76 Å²	76	56.9 Å²	56.9	36%	0.355	30%	0.298	S	S	.	.	H	α-helix	trans	-64.4	-38.6	177.1	-72	-54.1	132.2	0	0	112.7	R426 A464 A465 F466 L470 K471 Q472	R426-E468 IonicContact CZ-OE2 3.27Å; R426-E468 IonicContact NH2-OE2 3.59Å; R426-E468 PolarHBondContact NH2-OE2 2.81Å; A464-E468 PolarHBondContact O-N 2.78Å; A465-E468 PolarHBondContact O-N 2.59Å; F466-E468 VanDerWaalsContact C-N 3.34Å; F466-E468 PolarHBondContact O-N 3.44Å; E468-L470 PolarHBondContact O-N 2.83Å; E468-K471 WeakPolarHBondContact O-CB 3.33Å; E468-K471 PolarHBondContact O-N 2.66Å; E468-K471 WeakPolarHBondContact OE1-CE 3.38Å; E468-K471 IonicContact OE1-NZ 3.22Å; E468-K471 PolarHBondContact OE1-NZ 3.39Å; E468-Q472 PolarHBondContact O-N 2.89Å
469	Y	85.5	Confident	85.1	Confident	79 Å²	79	55 Å²	55	31%	0.31	30%	0.299	S	S	.	.	H	α-helix	trans	-59.2	-45.3	172.6	170	-103.7	0	0	0	111.9	A465 F466 R467 K471 Q472 A473 K546	A465-Y469 WeakPolarHBondContact O-CB 3.29Å; A465-Y469 PolarHBondContact O-N 2.87Å; F466-Y469 HydrophobicContact CD2-CD1 4.24Å; F466-Y469 HydrophobicContact CE2-CD1 4.22Å; F466-Y469 WeakPolarHBondContact O-CB 3.37Å; F466-Y469 PolarHBondContact O-N 3.49Å; R467-Y469 VanDerWaalsContact C-N 3.34Å; Y469-K471 VanDerWaalsContact C-N 3.35Å; Y469-K471 PolarHBondContact O-N 2.76Å; Y469-Q472 PolarHBondContact O-N 2.75Å; Y469-A473 HydrophobicContact CE1-CB 4.48Å; Y469-A473 HydrophobicContact CE2-CB 4.36Å; Y469-A473 WeakPolarHBondContact O-CB 3.43Å; Y469-A473 PolarHBondContact O-N 3.49Å; Y469-K546 VanDerWaalsContact CZ-CE 3.41Å; Y469-K546 WeakPolarHBondContact OH-CE 3.48Å; Y469-K546 PolarHBondContact OH-NZ 3.34Å
470	L	87.4	Confident	85	Confident	15 Å²	15	58.9 Å²	58.9	8%	0.079	32%	0.32	C	S	.	.	H	α-helix	trans	-61.6	-42.6	176.1	-67.2	-176.8	0	0	0	111.7	L434 V439 F466 R467 E468 Q472 A473 Y474	L434-L470 HydrophobicContact CD2-CB 4.19Å; L434-L470 HydrophobicContact CD2-CD1 4.15Å; V439-L470 HydrophobicContact CG1-CD1 4.19Å; V439-L470 HydrophobicContact CG2-CD1 4.33Å; F466-L470 HydrophobicContact CD1-CD1 4.17Å; F466-L470 HydrophobicContact CD1-CG 4.34Å; F466-L470 HydrophobicContact CE1-CD1 3.71Å; F466-L470 HydrophobicContact CE1-CD2 4.21Å; F466-L470 HydrophobicContact CE1-CG 4Å; F466-L470 HydrophobicContact CE2-CD2 4.38Å; F466-L470 HydrophobicContact CZ-CD1 4.27Å; F466-L470 HydrophobicContact CZ-CD2 3.92Å; F466-L470 HydrophobicContact CZ-CG 4.19Å; F466-L470 WeakPolarHBondContact O-CG 3.24Å; F466-L470 PolarHBondContact O-N 2.75Å; R467-L470 PolarHBondContact O-N 3.5Å; E468-L470 PolarHBondContact O-N 2.83Å; L470-Q472 VanDerWaalsContact C-N 3.29Å; L470-Q472 PolarHBondContact O-N 3.5Å; L470-A473 PolarHBondContact O-N 3.36Å; L470-Y474 HydrophobicContact CB-CD2 4.18Å; L470-Y474 HydrophobicContact CB-CE2 4.34Å; L470-Y474 HydrophobicContact CD2-CD2 4.49Å; L470-Y474 HydrophobicContact CD2-CE2 3.91Å; L470-Y474 WeakPolarHBondContact O-CB 3.49Å; L470-Y474 VanDerWaalsContact O-CD2 3.24Å; L470-Y474 WeakPolarHBondContact O-CD2 3.39Å; L470-Y474 PolarHBondContact O-N 3.42Å
471	K	88.8	Confident	85.1	Confident	21 Å²	21	55.4 Å²	55.4	9%	0.091	30%	0.303	C	S	.	.	H	α-helix	trans	-57.6	-44.1	175.6	-65.4	178.2	-159.4	-172.5	0	111.5	R426 D430 L434 R467 E468 Y469 G475	R426-K471 HydrophobicContact CB-CB 4.11Å; R426-K471 HydrophobicContact CG-CB 4.39Å; D430-K471 HydrophobicContact CB-CD 3.94Å; D430-K471 HydrophobicContact CB-CG 4.25Å; D430-K471 WeakPolarHBondContact OD1-CE 3.5Å; D430-K471 IonicContact OD1-NZ 3.66Å; D430-K471 PolarHBondContact OD1-NZ 3.48Å; D430-K471 IonicContact OD2-NZ 2.95Å; D430-K471 PolarHBondContact OD2-NZ 2.98Å; L434-K471 HydrophobicContact CD1-CD 4.37Å; L434-K471 HydrophobicContact CD1-CG 3.62Å; R467-K471 WeakPolarHBondContact O-CG 3.38Å; R467-K471 PolarHBondContact O-N 2.55Å; R467-K471 VanDerWaalsContact O-N 3.07Å; E468-K471 WeakPolarHBondContact O-CB 3.33Å; E468-K471 PolarHBondContact O-N 2.66Å; E468-K471 WeakPolarHBondContact OE1-CE 3.38Å; E468-K471 IonicContact OE1-NZ 3.22Å; E468-K471 PolarHBondContact OE1-NZ 3.39Å; Y469-K471 VanDerWaalsContact C-N 3.35Å; Y469-K471 PolarHBondContact O-N 2.76Å; K471-G475 WeakPolarHBondContact O-CA 3.15Å; K471-G475 PolarHBondContact O-N 2.77Å
472	Q	86.4	Confident	85.3	Confident	111 Å²	111	58.4 Å²	58.4	52%	0.519	31%	0.306	S	S	.	.	H	α-helix	trans	-67.9	-50	179.2	-177.4	176.9	-6.8	0	0	111.9	E468 Y469 L470 G475 Q476	E468-Q472 PolarHBondContact O-N 2.89Å; Y469-Q472 PolarHBondContact O-N 2.75Å; L470-Q472 VanDerWaalsContact C-N 3.29Å; L470-Q472 PolarHBondContact O-N 3.5Å; Q472-G475 PolarHBondContact O-N 3.38Å; Q472-Q476 WeakPolarHBondContact O-CB 3.1Å; Q472-Q476 PolarHBondContact O-N 2.75Å
473	A	82.2	Confident	85.3	Confident	31 Å²	31	58 Å²	58	26%	0.256	31%	0.314	S	S	.	.	H	α-helix	trans	-62.4	-48.6	-176.9	0	0	0	0	0	111.9	Y469 L470 Q476 A477	Y469-A473 HydrophobicContact CE1-CB 4.48Å; Y469-A473 HydrophobicContact CE2-CB 4.36Å; Y469-A473 WeakPolarHBondContact O-CB 3.43Å; Y469-A473 PolarHBondContact O-N 3.49Å; L470-A473 PolarHBondContact O-N 3.36Å; A473-Q476 PolarHBondContact O-N 2.68Å; A473-A477 PolarHBondContact O-N 3.44Å; A473-A477 VanDerWaalsContact O-N 3.14Å
474	Y	86.9	Confident	85.5	Confident	54 Å²	54	58.4 Å²	58.4	21%	0.212	32%	0.316	C	S	.	.	H	α-helix	trans	-73.6	-32.8	177.4	-69.7	-61.8	0	0	0	112.3	L470 Q476 A477 L478 M535	L470-Y474 HydrophobicContact CB-CD2 4.18Å; L470-Y474 HydrophobicContact CB-CE2 4.34Å; L470-Y474 HydrophobicContact CD2-CD2 4.49Å; L470-Y474 HydrophobicContact CD2-CE2 3.91Å; L470-Y474 WeakPolarHBondContact O-CB 3.49Å; L470-Y474 VanDerWaalsContact O-CD2 3.24Å; L470-Y474 WeakPolarHBondContact O-CD2 3.39Å; L470-Y474 PolarHBondContact O-N 3.42Å; Y474-Q476 VanDerWaalsContact C-N 3.28Å; Y474-Q476 PolarHBondContact O-N 2.88Å; Y474-A477 WeakPolarHBondContact O-CB 3.41Å; Y474-A477 PolarHBondContact O-N 3.34Å; Y474-A477 VanDerWaalsContact O-N 3.12Å; Y474-L478 WeakPolarHBondContact O-CG 3.13Å; Y474-L478 PolarHBondContact O-N 3.38Å; Y474-M535 HydrophobicContact CE1-CE 3.66Å; Y474-M535 HydrophobicContact CE1-SD 3.8Å
475	G	87.1	Confident	85.8	Confident	4 Å²	4	59.5 Å²	59.5	4%	0.041	32%	0.317	C	S	.	.	H	α-helix	trans	-58.8	-42.9	173.5	0	0	0	0	0	111.4	L425 K471 Q472 L478 A479	L425-G475 WeakPolarHBondContact CD1-O 3.04Å; K471-G475 WeakPolarHBondContact O-CA 3.15Å; K471-G475 PolarHBondContact O-N 2.77Å; Q472-G475 PolarHBondContact O-N 3.38Å; G475-L478 PolarHBondContact O-N 3.13Å; G475-A479 PolarHBondContact O-N 3.46Å
476	Q	80.6	Confident	86.2	Confident	130 Å²	130	60.4 Å²	60.4	61%	0.607	31%	0.311	S	S	*	.	H	α-helix	trans	-65.6	-37.2	174.4	-170.3	176.6	6.9	0	0	112.6	Q472 A473 Y474 A479	Q472-Q476 WeakPolarHBondContact O-CB 3.1Å; Q472-Q476 PolarHBondContact O-N 2.75Å; A473-Q476 PolarHBondContact O-N 2.68Å; Y474-Q476 VanDerWaalsContact C-N 3.28Å; Y474-Q476 PolarHBondContact O-N 2.88Å; Q476-A479 WeakPolarHBondContact O-CB 3.44Å; Q476-A479 PolarHBondContact O-N 3.44Å
477	A	83.7	Confident	86.4	Confident	54 Å²	54	64.4 Å²	64.4	45%	0.446	33%	0.33	S	S	.	.	H	α-helix	trans	-65.8	-43.1	174.3	0	0	0	0	0	111.8	A473 Y474 A479 M480	A473-A477 PolarHBondContact O-N 3.44Å; A473-A477 VanDerWaalsContact O-N 3.14Å; Y474-A477 WeakPolarHBondContact O-CB 3.41Å; Y474-A477 PolarHBondContact O-N 3.34Å; Y474-A477 VanDerWaalsContact O-N 3.12Å; A477-A479 VanDerWaalsContact C-N 3.25Å; A477-A479 PolarHBondContact O-N 3.35Å; A477-M480 WeakPolarHBondContact O-CB 3.5Å; A477-M480 PolarHBondContact O-N 2.96Å; A477-M480 VanDerWaalsContact O-N 3.07Å
478	L	86.9	Confident	86.5	Confident	32 Å²	32	60.9 Å²	60.9	17%	0.168	32%	0.319	C	S	.	.	H	α-helix	trans	-67.1	-25.5	176.1	-65.8	-170.9	0	0	0	112.7	T407 L411 L425 I428 V429 L433 Y474 G475 M480 Y481	T407-L478 HydrophobicContact CG2-CD1 4.12Å; T407-L478 HydrophobicContact CG2-CD2 4.48Å; L411-L478 HydrophobicContact CD1-CB 4.5Å; L411-L478 HydrophobicContact CD1-CD1 4.31Å; L411-L478 HydrophobicContact CD1-CD2 3.87Å; L411-L478 HydrophobicContact CD1-CG 4.44Å; L411-L478 HydrophobicContact CD2-CB 4.17Å; L411-L478 HydrophobicContact CD2-CD1 4.34Å; L425-L478 HydrophobicContact CD2-CB 4.08Å; I428-L478 HydrophobicContact CG2-CD1 4.49Å; V429-L478 HydrophobicContact CG2-CD1 3.65Å; V429-L478 HydrophobicContact CG2-CG 4.4Å; L433-L478 HydrophobicContact CD1-CD1 4.4Å; Y474-L478 WeakPolarHBondContact O-CG 3.13Å; Y474-L478 PolarHBondContact O-N 3.38Å; G475-L478 PolarHBondContact O-N 3.13Å; L478-M480 PolarHBondContact O-N 3.42Å; L478-Y481 WeakPolarHBondContact O-CB 3.29Å; L478-Y481 PolarHBondContact O-N 3.2Å
479	A	85.4	Confident	86.6	Confident	54 Å²	54	58.9 Å²	58.9	45%	0.446	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-20.2	172.2	0	0	0	0	0	112.6	L425 G475 Q476 A477 Y481	L425-A479 HydrophobicContact CD1-CB 3.56Å; G475-A479 PolarHBondContact O-N 3.46Å; Q476-A479 WeakPolarHBondContact O-CB 3.44Å; Q476-A479 PolarHBondContact O-N 3.44Å; A477-A479 VanDerWaalsContact C-N 3.25Å; A477-A479 PolarHBondContact O-N 3.35Å; A479-Y481 PolarHBondContact O-N 2.81Å
480	M	82.2	Confident	86.6	Confident	126 Å²	126	60.2 Å²	60.2	62%	0.621	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	3.2	173.8	-54.1	-171.8	-176.4	0	0	113.1	A477 L478 H482 Q484	A477-M480 WeakPolarHBondContact O-CB 3.5Å; A477-M480 PolarHBondContact O-N 2.96Å; A477-M480 VanDerWaalsContact O-N 3.07Å; L478-M480 PolarHBondContact O-N 3.42Å; M480-H482 PolarHBondContact O-N 3.5Å; M480-H482 PolarHBondContact O-ND1 2.89Å; M480-Q484 PolarHBondContact O-NE2 3.3Å
481	Y	85.1	Confident	86.6	Confident	34 Å²	34	64.7 Å²	64.7	13%	0.133	35%	0.354	C	S	.	.			trans	-66.8	119	174.9	178.5	-97.3	0	0	0	111.7	F408 L411 L478 A479 Q484	F408-Y481 HydrophobicContact CD1-CD2 4.4Å; F408-Y481 AromaticContact CD1-CE2 3.83Å; F408-Y481 HydrophobicContact CD1-CE2 3.83Å; F408-Y481 HydrophobicContact CE1-CD2 4.15Å; F408-Y481 AromaticContact CE1-CE2 3.9Å; F408-Y481 HydrophobicContact CE1-CE2 3.9Å; L411-Y481 HydrophobicContact CB-CD1 4.12Å; L411-Y481 HydrophobicContact CB-CE1 4.2Å; L411-Y481 HydrophobicContact CB-CG 4.28Å; L411-Y481 HydrophobicContact CD1-CD2 4.39Å; L411-Y481 HydrophobicContact CD1-CG 4.39Å; L478-Y481 WeakPolarHBondContact O-CB 3.29Å; L478-Y481 PolarHBondContact O-N 3.2Å; A479-Y481 PolarHBondContact O-N 2.81Å; Y481-Q484 VanDerWaalsContact CA-OE1 3.26Å; Y481-Q484 WeakPolarHBondContact CE2-O 3.09Å
482	H	85.3	Confident	86.3	Confident	127 Å²	127	69.1 Å²	69.1	59%	0.588	38%	0.375	S	S	*	.	S	Bend	trans	-131.6	37.9	178	-65.3	82	0	0	0	110.9	M480	M480-H482 PolarHBondContact O-N 3.5Å; M480-H482 PolarHBondContact O-ND1 2.89Å
483	G	84.8	Confident	86	Confident	33 Å²	33	69.6 Å²	69.6	34%	0.34	39%	0.388	S	S	.	.	S	Bend	trans	89	20.7	178.7	0	0	0	0	0	114.8
484	Q	89.9	Confident	85.8	Confident	22 Å²	22	70 Å²	70	10%	0.103	39%	0.386	C	S	.	.			trans	-61.7	149.6	172.9	-60.6	87.4	-4.9	0	0	111.5	F408 M480 Y481 I506 I507 D508	F408-Q484 WeakPolarHBondContact CE1-O 3.4Å; M480-Q484 PolarHBondContact O-NE2 3.3Å; Y481-Q484 VanDerWaalsContact CA-OE1 3.26Å; Y481-Q484 WeakPolarHBondContact CE2-O 3.09Å; Q484-I506 HydrophobicContact CB-CG2 3.56Å; Q484-I506 HydrophobicContact CG-CG2 3.96Å; Q484-I507 CarbonylContact C-O 3.52Å; Q484-I507 VanDerWaalsContact CA-O 3.24Å; Q484-I507 WeakPolarHBondContact CA-O 3.46Å; Q484-I507 VanDerWaalsContact CB-O 3.31Å; Q484-I507 WeakPolarHBondContact CB-O 3.48Å; Q484-D508 HydrophobicContact CG-CB 4.13Å; Q484-D508 PolarHBondContact NE2-OD2 3.39Å; Q484-D508 VanDerWaalsContact NE2-OD2 3.1Å
485	T	90.2	Very high	85.4	Confident	84 Å²	84	70.8 Å²	70.8	52%	0.515	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	165.8	169.7	58.6	0	0	0	0	109.9	I506 I507	T485-I506 CarbonylContact O-C 3.59Å; T485-I506 WeakPolarHBondContact O-CA 3.21Å; T485-I507 PolarHBondContact N-O 3.06Å; T485-I507 PolarHBondContact O-N 2.96Å
486	Y	91.4	Very high	85	Confident	63 Å²	63	78.7 Å²	78.7	25%	0.247	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	153	177.4	68.5	-88	0	0	0	111.1	A404 Q405 F408 I488 T505	A404-Y486 HydrophobicContact CB-CD2 4.03Å; A404-Y486 HydrophobicContact CB-CE1 4.46Å; A404-Y486 HydrophobicContact CB-CE2 3.69Å; Q405-Y486 VanDerWaalsContact CA-OH 3.3Å; Q405-Y486 WeakPolarHBondContact CA-OH 3.15Å; Q405-Y486 PolarHBondContact N-OH 3.39Å; F408-Y486 HydrophobicContact CB-CD1 4.06Å; F408-Y486 HydrophobicContact CB-CE1 3.86Å; F408-Y486 AromaticContact CD1-CD1 3.91Å; F408-Y486 HydrophobicContact CD1-CD1 3.91Å; F408-Y486 AromaticContact CD2-CD1 3.48Å; F408-Y486 HydrophobicContact CD2-CD1 3.48Å; F408-Y486 VanDerWaalsContact CD2-CD1 3.48Å; F408-Y486 AromaticContact CD2-CE1 3.93Å; F408-Y486 HydrophobicContact CD2-CE1 3.93Å; F408-Y486 HydrophobicContact CD2-CG 4.21Å; F408-Y486 HydrophobicContact CE1-CD1 4.25Å; F408-Y486 AromaticContact CE2-CD1 3.86Å; F408-Y486 HydrophobicContact CE2-CD1 3.86Å; F408-Y486 HydrophobicContact CE2-CG 4.2Å; F408-Y486 AromaticContact CG-CD1 3.53Å; F408-Y486 HydrophobicContact CG-CD1 3.53Å; F408-Y486 AromaticContact CG-CE1 3.86Å; F408-Y486 HydrophobicContact CG-CE1 3.86Å; F408-Y486 HydrophobicContact CZ-CD1 4.25Å; Y486-I488 HydrophobicContact CD2-CD1 4.2Å; Y486-I488 HydrophobicContact CD2-CG1 3.89Å; Y486-I488 HydrophobicContact CE2-CD1 3.87Å; Y486-I488 HydrophobicContact CE2-CG1 4.04Å; Y486-T505 CarbonylContact C-O 3.56Å; Y486-T505 VanDerWaalsContact CA-O 3.31Å; Y486-T505 WeakPolarHBondContact CA-O 3.41Å
487	Q	90.2	Very high	85.1	Confident	94 Å²	94	76.7 Å²	76.7	44%	0.439	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	121.5	171.1	-175.1	178.9	19.1	0	0	109.1	V504 T505 I507	Q487-V504 CarbonylContact O-C 3.14Å; Q487-V504 WeakPolarHBondContact O-CA 3.25Å; Q487-T505 PolarHBondContact N-O 2.95Å; Q487-T505 PolarHBondContact O-N 3.5Å; Q487-I507 HydrophobicContact CB-CD1 4.24Å
488	I	90.4	Very high	85.2	Confident	34 Å²	34	77.2 Å²	77.2	17%	0.174	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	139.9	176.8	-53.5	172.9	0	0	0	108.4	M400 D401 A404 Y486 I502 V504	M400-I488 HydrophobicContact CG-CD1 4.04Å; M400-I488 HydrophobicContact CG-CG2 4.26Å; D401-I488 VanDerWaalsContact CA-CD1 3.48Å; D401-I488 HydrophobicContact CB-CD1 3.91Å; A404-I488 HydrophobicContact CB-CD1 4.15Å; Y486-I488 HydrophobicContact CD2-CD1 4.2Å; Y486-I488 HydrophobicContact CD2-CG1 3.89Å; Y486-I488 HydrophobicContact CE2-CD1 3.87Å; Y486-I488 HydrophobicContact CE2-CG1 4.04Å; I488-I502 HydrophobicContact CG2-CG2 3.78Å; I488-V504 HydrophobicContact CG1-CG2 4.28Å
489	A	88.2	Confident	85.4	Confident	35 Å²	35	76.9 Å²	76.9	29%	0.289	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-61.1	146.1	173.5	0	0	0	0	0	111.5	R503	A489-R503 HydrophobicContact CB-CB 3.93Å; A489-R503 PolarHBondContact N-O 3.27Å
490	P	86.2	Confident	85.6	Confident	106 Å²	106	74.6 Å²	74.6	69%	0.688	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-62	146.3	-178.9	26.5	-34.8	0	0	0	111.5	Q492	P490-Q492 PolarHBondContact O-N 3.47Å
491	E	86	Confident	86.1	Confident	110 Å²	110	71.6 Å²	71.6	51%	0.514	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-58.1	129.2	178.8	178.7	170.8	178.8	0	0	111.3	N395 Y397	N395-E491 PolarHBondContact ND2-OE1 2.84Å; Y397-E491 HydrophobicContact CD1-CB 4.26Å; Y397-E491 HydrophobicContact CD2-CB 4.2Å; Y397-E491 HydrophobicContact CD2-CG 3.69Å; Y397-E491 HydrophobicContact CE2-CG 4.14Å; Y397-E491 HydrophobicContact CG-CB 4Å; Y397-E491 HydrophobicContact CG-CG 3.96Å
492	Q	83.3	Confident	86.4	Confident	113 Å²	113	70 Å²	70	53%	0.528	40%	0.401	S	S	.	.			trans	-107.8	151.4	173.3	-61.4	-172.9	-6.1	0	0	110.7	P490 L494	P490-Q492 PolarHBondContact O-N 3.47Å; Q492-L494 PolarHBondContact O-N 3.34Å
493	P	79.8	Confident	86.7	Confident	122 Å²	122	69.1 Å²	69.1	79%	0.792	39%	0.392	S	S	*	.			trans	-56.2	122.5	175.1	-22.2	32.3	0	0	0	111.6
494	L	78	Confident	87.1	Confident	39 Å²	39	67.8 Å²	67.8	20%	0.204	38%	0.378	C	S	.	.			trans	-69.5	-34.4	-176.6	-62.2	168.4	0	0	0	112.5	P396 Y397 Q492 K497 V500	P396-L494 HydrophobicContact CG-CD2 3.71Å; Y397-L494 HydrophobicContact CD2-CD2 4.27Å; Y397-L494 HydrophobicContact CE2-CD2 3.95Å; Q492-L494 PolarHBondContact O-N 3.34Å; L494-K497 VanDerWaalsContact O-CB 3.27Å; L494-K497 WeakPolarHBondContact O-CB 3.25Å; L494-K497 WeakPolarHBondContact O-CG 3.42Å; L494-K497 PolarHBondContact O-N 3.03Å; L494-K497 VanDerWaalsContact O-N 3.17Å; L494-V500 HydrophobicContact CD2-CG1 4.35Å; L494-V500 HydrophobicContact CD2-CG2 3.86Å
495	G	78.1	Confident	87.2	Confident	71 Å²	71	68 Å²	68	73%	0.732	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	-138	-177.8	0	0	0	0	0	112.5	K497	G495-K497 VanDerWaalsContact C-N 3.31Å
496	D	79.1	Confident	87.1	Confident	169 Å²	169	65.3 Å²	65.3	90%	0.904	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	10	176.5	-60.8	-37.3	0	0	0	113.2	T498	D496-T498 PolarHBondContact O-N 3.39Å
497	K	82.1	Confident	87	Confident	88 Å²	88	65.1 Å²	65.1	38%	0.383	37%	0.365	S	S	.	.			trans	-66.8	135.5	-176.3	-64.5	-177.1	178.4	-176.6	0	110.7	L494 G495 V500 W530	L494-K497 VanDerWaalsContact O-CB 3.27Å; L494-K497 WeakPolarHBondContact O-CB 3.25Å; L494-K497 WeakPolarHBondContact O-CG 3.42Å; L494-K497 PolarHBondContact O-N 3.03Å; L494-K497 VanDerWaalsContact O-N 3.17Å; G495-K497 VanDerWaalsContact C-N 3.31Å; K497-V500 HydrophobicContact CB-CG2 4.11Å; K497-V500 HydrophobicContact CD-CG2 4.46Å; K497-W530 VanDerWaalsContact O-CH2 3.31Å; K497-W530 WeakPolarHBondContact O-CH2 3.35Å
498	T	87.8	Confident	86.7	Confident	65 Å²	65	61.5 Å²	61.5	40%	0.399	35%	0.349	S	S	.	.	S	Bend	trans	-101.1	-13.5	172.4	55.7	0	0	0	0	112.7	D496 R522 K523 W530	D496-T498 PolarHBondContact O-N 3.39Å; T498-R522 CarbonylContact O-C 3.51Å; T498-R522 VanDerWaalsContact O-CA 3.26Å; T498-R522 WeakPolarHBondContact O-CA 3.45Å; T498-K523 PolarHBondContact O-N 3.34Å; T498-W530 WeakPolarHBondContact O-CZ3 3.45Å
499	I	90.2	Very high	86.3	Confident	26 Å²	26	64 Å²	64	13%	0.133	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	133.2	173.4	-57.5	-178.7	0	0	0	108.7	Q356 D357 W521 R522 Y533	Q356-I499 HydrophobicContact CB-CD1 3.66Å; Q356-I499 HydrophobicContact CB-CG1 4.07Å; D357-I499 HydrophobicContact CB-CD1 4.13Å; I499-W521 CarbonylContact C-O 3.54Å; I499-W521 VanDerWaalsContact CA-O 3.22Å; I499-W521 WeakPolarHBondContact CA-O 3.11Å; I499-R522 HydrophobicContact CG1-CB 4.25Å; I499-Y533 HydrophobicContact CG2-CE1 4.26Å
500	V	90.4	Very high	86	Confident	5 Å²	5	68 Å²	68	3%	0.03	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	119.4	-179	178.7	0	0	0	0	109.6	Y397 L494 K497 I502 W521 W530	Y397-V500 HydrophobicContact CE2-CG1 4.12Å; L494-V500 HydrophobicContact CD2-CG1 4.35Å; L494-V500 HydrophobicContact CD2-CG2 3.86Å; K497-V500 HydrophobicContact CB-CG2 4.11Å; K497-V500 HydrophobicContact CD-CG2 4.46Å; V500-I502 HydrophobicContact CG1-CG1 4.13Å; V500-W521 PolarHBondContact N-O 3.21Å; V500-W521 WeakPolarHBondContact O-CB 3.3Å; V500-W521 PolarHBondContact O-N 3.06Å; V500-W530 HydrophobicContact CB-CH2 4.48Å; V500-W530 HydrophobicContact CB-CZ3 4.23Å; V500-W530 HydrophobicContact CG2-CH2 3.65Å; V500-W530 HydrophobicContact CG2-CZ3 3.88Å
501	P	91.1	Very high	85.4	Confident	63 Å²	63	65.9 Å²	65.9	41%	0.409	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	128.8	169.6	30.7	-32.5	0	0	0	110
502	I	92.6	Very high	85.1	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	115.2	173.4	-58.5	-176	0	0	0	108.9	P396 Y397 M400 I488 V500 F519 W521	P396-I502 VanDerWaalsContact C-CD1 3.45Å; P396-I502 HydrophobicContact CB-CD1 3.78Å; P396-I502 HydrophobicContact CG-CD1 4.22Å; P396-I502 WeakPolarHBondContact O-CD1 3.46Å; Y397-I502 HydrophobicContact CD1-CD1 3.86Å; Y397-I502 HydrophobicContact CD1-CG1 4.15Å; Y397-I502 HydrophobicContact CD1-CG2 4.12Å; Y397-I502 HydrophobicContact CD2-CD1 4.23Å; Y397-I502 HydrophobicContact CE1-CD1 4.13Å; Y397-I502 HydrophobicContact CE1-CG1 3.92Å; Y397-I502 HydrophobicContact CE1-CG2 4.19Å; Y397-I502 HydrophobicContact CE2-CD1 4.48Å; Y397-I502 HydrophobicContact CG-CD1 3.92Å; M400-I502 HydrophobicContact CB-CD1 4.32Å; M400-I502 HydrophobicContact CB-CG2 4.28Å; M400-I502 HydrophobicContact CG-CG2 3.91Å; I488-I502 HydrophobicContact CG2-CG2 3.78Å; V500-I502 HydrophobicContact CG1-CG1 4.13Å; I502-F519 PolarHBondContact N-O 3.38Å; I502-F519 PolarHBondContact O-N 2.83Å; I502-W521 HydrophobicContact CD1-CG 4.2Å
503	R	91.9	Very high	84.9	Confident	110 Å²	110	67.3 Å²	67.3	42%	0.415	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	129.7	179.1	-179.6	161.8	-67.8	165	2.2	111.3	A489 D518	A489-R503 HydrophobicContact CB-CB 3.93Å; A489-R503 PolarHBondContact N-O 3.27Å; R503-D518 VanDerWaalsContact CA-OD1 3.25Å; R503-D518 WeakPolarHBondContact CA-OD1 3.14Å; R503-D518 WeakPolarHBondContact CB-OD1 3.41Å; R503-D518 WeakPolarHBondContact CG-OD1 3.23Å; R503-D518 IonicContact CZ-OD1 2.65Å; R503-D518 IonicContact CZ-OD2 3.36Å; R503-D518 IonicContact NE-OD1 3.84Å; R503-D518 PolarHBondContact NE-OD1 2.65Å; R503-D518 IonicContact NE-OD2 2.82Å; R503-D518 IonicContact NH2-OD1 3.61Å; R503-D518 IonicContact NH2-OD2 2.71Å; R503-D518 PolarHBondContact NH2-OD2 3.46Å
504	V	92.8	Very high	85.1	Confident	5 Å²	5	63.6 Å²	63.6	3%	0.03	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	124	171.5	-175.5	0	0	0	0	108.1	M400 Q487 I488 I506 L517 F519	M400-V504 HydrophobicContact CE-CG2 4.26Å; M400-V504 HydrophobicContact CG-CG2 4.06Å; M400-V504 HydrophobicContact SD-CG2 3.79Å; Q487-V504 CarbonylContact O-C 3.14Å; Q487-V504 WeakPolarHBondContact O-CA 3.25Å; I488-V504 HydrophobicContact CG1-CG2 4.28Å; V504-I506 HydrophobicContact CG1-CD1 3.98Å; V504-L517 PolarHBondContact N-O 3.16Å; V504-L517 PolarHBondContact O-N 2.97Å; V504-F519 HydrophobicContact CB-CD2 4.31Å; V504-F519 HydrophobicContact CB-CE2 4.05Å; V504-F519 HydrophobicContact CG2-CD2 3.78Å; V504-F519 HydrophobicContact CG2-CE2 3.88Å
505	T	90.8	Very high	85.4	Confident	25 Å²	25	64.9 Å²	64.9	15%	0.153	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	120.1	177.7	-54.8	0	0	0	0	109	Y486 Q487 I507 P514 V515	Y486-T505 CarbonylContact C-O 3.56Å; Y486-T505 VanDerWaalsContact CA-O 3.31Å; Y486-T505 WeakPolarHBondContact CA-O 3.41Å; Q487-T505 PolarHBondContact N-O 2.95Å; Q487-T505 PolarHBondContact O-N 3.5Å; T505-I507 HydrophobicContact CG2-CG1 4.25Å; T505-P514 HydrophobicContact CG2-CB 3.52Å; T505-V515 WeakPolarHBondContact CA-O 3.3Å
506	I	89.7	Confident	85.9	Confident	29 Å²	29	66.3 Å²	66.3	15%	0.149	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	120.9	175.1	-52.6	-51.5	0	0	0	108.5	F408 Q484 T485 V504 P514 V515 L517	F408-I506 HydrophobicContact CE2-CD1 4.29Å; F408-I506 HydrophobicContact CZ-CD1 3.79Å; Q484-I506 HydrophobicContact CB-CG2 3.56Å; Q484-I506 HydrophobicContact CG-CG2 3.96Å; T485-I506 CarbonylContact O-C 3.59Å; T485-I506 WeakPolarHBondContact O-CA 3.21Å; V504-I506 HydrophobicContact CG1-CD1 3.98Å; I506-P514 CarbonylContact O-C 3.54Å; I506-P514 WeakPolarHBondContact O-CA 3.34Å; I506-P514 WeakPolarHBondContact O-CB 3.05Å; I506-V515 HydrophobicContact CB-CB 4.25Å; I506-V515 PolarHBondContact N-O 3.41Å; I506-V515 PolarHBondContact O-N 3.45Å; I506-L517 HydrophobicContact CD1-CD1 4.36Å; I506-L517 HydrophobicContact CG1-CD1 3.85Å; I506-L517 HydrophobicContact CG1-CG 4.44Å
507	I	88.4	Confident	86.4	Confident	59 Å²	59	59.6 Å²	59.6	30%	0.303	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	122.4	-174.2	-57.1	168.2	0	0	0	108.5	Q484 T485 Q487 T505 P514	Q484-I507 CarbonylContact C-O 3.52Å; Q484-I507 VanDerWaalsContact CA-O 3.24Å; Q484-I507 WeakPolarHBondContact CA-O 3.46Å; Q484-I507 VanDerWaalsContact CB-O 3.31Å; Q484-I507 WeakPolarHBondContact CB-O 3.48Å; T485-I507 PolarHBondContact N-O 3.06Å; T485-I507 PolarHBondContact O-N 2.96Å; Q487-I507 HydrophobicContact CB-CD1 4.24Å; T505-I507 HydrophobicContact CG2-CG1 4.25Å; I507-P514 HydrophobicContact CG1-CB 4.48Å
508	D	84.8	Confident	86.9	Confident	17 Å²	17	56.5 Å²	56.5	9%	0.091	31%	0.309	C	S	.	.			trans	-89.8	130.6	-179.7	-163.1	-70.9	0	0	0	111.7	Q484 N510 G511 R512	Q484-D508 HydrophobicContact CG-CB 4.13Å; Q484-D508 PolarHBondContact NE2-OD2 3.39Å; Q484-D508 VanDerWaalsContact NE2-OD2 3.1Å; D508-N510 PolarHBondContact O-N 2.99Å; D508-N510 WeakPolarHBondContact OD1-CA 3.5Å; D508-N510 VanDerWaalsContact OD1-CB 3.23Å; D508-N510 WeakPolarHBondContact OD1-CB 3.4Å; D508-N510 PolarHBondContact OD1-N 3.09Å; D508-N510 PolarHBondContact OD1-ND2 3.08Å; D508-G511 PolarHBondContact O-N 3.48Å; D508-R512 HydrophobicContact CB-CB 3.78Å; D508-R512 HydrophobicContact CB-CG 4.47Å
509	P	81.5	Confident	87.2	Confident	86 Å²	86	55.4 Å²	55.4	56%	0.558	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-21.7	179.6	27.9	-36.1	0	0	0	113.2	G511	P509-G511 PolarHBondContact O-N 3.47Å
510	N	80.5	Confident	87.3	Confident	121 Å²	121	55.2 Å²	55.2	65%	0.647	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	10.8	-179.9	-50.7	-67.7	0	0	0	112.9	D508 R512	D508-N510 PolarHBondContact O-N 2.99Å; D508-N510 WeakPolarHBondContact OD1-CA 3.5Å; D508-N510 VanDerWaalsContact OD1-CB 3.23Å; D508-N510 WeakPolarHBondContact OD1-CB 3.4Å; D508-N510 PolarHBondContact OD1-N 3.09Å; D508-N510 PolarHBondContact OD1-ND2 3.08Å; N510-R512 VanDerWaalsContact C-N 3.33Å; N510-R512 PolarHBondContact O-N 2.84Å
511	G	74.7	Confident	87.5	Confident	60 Å²	60	55 Å²	55	62%	0.619	30%	0.296	S	S	*	.			trans	75.5	17.2	177.9	0	0	0	0	0	114.5	D508 P509	D508-G511 PolarHBondContact O-N 3.48Å; P509-G511 PolarHBondContact O-N 3.47Å
512	R	79	Confident	87.5	Confident	157 Å²	157	52.7 Å²	52.7	59%	0.592	28%	0.279	S	S	*	.	P	Polyproline II helix	trans	-66	149	168	-62.8	179.1	175.5	172	-1.5	109.5	D508 N510	D508-R512 HydrophobicContact CB-CB 3.78Å; D508-R512 HydrophobicContact CB-CG 4.47Å; N510-R512 VanDerWaalsContact C-N 3.33Å; N510-R512 PolarHBondContact O-N 2.84Å
513	P	79.5	Confident	87.3	Confident	96 Å²	96	57.4 Å²	57.4	62%	0.623	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-52.9	136.4	177.1	-25.8	34.2	0	0	0	111.4	V515	P513-V515 PolarHBondContact O-N 2.98Å
514	P	84.2	Confident	87	Confident	44 Å²	44	52.6 Å²	52.6	29%	0.286	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-62.1	137	176.9	-20.1	31.5	0	0	0	111.3	G374 T505 I506 I507	G374-P514 WeakPolarHBondContact O-CD 3.33Å; T505-P514 HydrophobicContact CG2-CB 3.52Å; I506-P514 CarbonylContact O-C 3.54Å; I506-P514 WeakPolarHBondContact O-CA 3.34Å; I506-P514 WeakPolarHBondContact O-CB 3.05Å; I507-P514 HydrophobicContact CG1-CB 4.48Å
515	V	84.8	Confident	86.4	Confident	66 Å²	66	56.4 Å²	56.4	40%	0.4	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	124.2	178.8	-177.9	0	0	0	0	109.2	T505 I506 P513 L517 E538	T505-V515 WeakPolarHBondContact CA-O 3.3Å; I506-V515 HydrophobicContact CB-CB 4.25Å; I506-V515 PolarHBondContact N-O 3.41Å; I506-V515 PolarHBondContact O-N 3.45Å; P513-V515 PolarHBondContact O-N 2.98Å; V515-L517 HydrophobicContact CG1-CD2 4Å; V515-L517 HydrophobicContact CG1-CG 4.39Å; V515-E538 WeakPolarHBondContact CA-OE1 3.38Å
516	R	87.3	Confident	85.9	Confident	101 Å²	101	60.8 Å²	60.8	38%	0.381	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	122.5	179.1	-66.5	178.7	178.4	169	-3.6	110.8	Q370 E538	Q370-R516 VanDerWaalsContact OE1-NH1 3.17Å; R516-E538 PolarHBondContact N-OE1 3.35Å; R516-E538 PolarHBondContact O-N 3.39Å
517	L	91.1	Very high	85.5	Confident	28 Å²	28	63.1 Å²	63.1	15%	0.147	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	113.9	177.5	-55.4	177.8	0	0	0	108.9	V504 I506 V515 F519 M535 A537	V504-L517 PolarHBondContact N-O 3.16Å; V504-L517 PolarHBondContact O-N 2.97Å; I506-L517 HydrophobicContact CD1-CD1 4.36Å; I506-L517 HydrophobicContact CG1-CD1 3.85Å; I506-L517 HydrophobicContact CG1-CG 4.44Å; V515-L517 HydrophobicContact CG1-CD2 4Å; V515-L517 HydrophobicContact CG1-CG 4.39Å; L517-F519 HydrophobicContact CB-CD2 4.37Å; L517-F519 HydrophobicContact CB-CE2 3.72Å; L517-F519 HydrophobicContact CB-CZ 4.2Å; L517-F519 HydrophobicContact CD1-CE2 4.3Å; L517-F519 HydrophobicContact CD1-CZ 4.23Å; L517-M535 HydrophobicContact CD2-SD 4.19Å; L517-A537 HydrophobicContact CD2-CB 3.69Å
518	D	91.3	Very high	85.3	Confident	24 Å²	24	61.9 Å²	61.9	13%	0.128	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	110.7	173.6	-65.3	-32.6	0	0	0	109.1	R503 I536	R503-D518 VanDerWaalsContact CA-OD1 3.25Å; R503-D518 WeakPolarHBondContact CA-OD1 3.14Å; R503-D518 WeakPolarHBondContact CB-OD1 3.41Å; R503-D518 WeakPolarHBondContact CG-OD1 3.23Å; R503-D518 IonicContact CZ-OD1 2.65Å; R503-D518 IonicContact CZ-OD2 3.36Å; R503-D518 IonicContact NE-OD1 3.84Å; R503-D518 PolarHBondContact NE-OD1 2.65Å; R503-D518 IonicContact NE-OD2 2.82Å; R503-D518 IonicContact NH2-OD1 3.61Å; R503-D518 IonicContact NH2-OD2 2.71Å; R503-D518 PolarHBondContact NH2-OD2 3.46Å; D518-I536 HydrophobicContact CB-CB 4.13Å; D518-I536 PolarHBondContact N-O 3.32Å; D518-I536 PolarHBondContact O-N 3.46Å
519	F	93.8	Very high	85.4	Confident	41 Å²	41	63.6 Å²	63.6	18%	0.18	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	123.8	177.5	-67.1	-86.6	0	0	0	109.9	M400 I502 V504 L517 W521 M535	M400-F519 HydrophobicContact CE-CB 3.41Å; M400-F519 VanDerWaalsContact CE-CB 3.41Å; M400-F519 HydrophobicContact CE-CD1 4.17Å; M400-F519 HydrophobicContact CE-CD2 3.36Å; M400-F519 HydrophobicContact CE-CE2 4.12Å; M400-F519 HydrophobicContact CE-CG 3.37Å; M400-F519 HydrophobicContact SD-CD2 4.29Å; I502-F519 PolarHBondContact N-O 3.38Å; I502-F519 PolarHBondContact O-N 2.83Å; V504-F519 HydrophobicContact CB-CD2 4.31Å; V504-F519 HydrophobicContact CB-CE2 4.05Å; V504-F519 HydrophobicContact CG2-CD2 3.78Å; V504-F519 HydrophobicContact CG2-CE2 3.88Å; L517-F519 HydrophobicContact CB-CD2 4.37Å; L517-F519 HydrophobicContact CB-CE2 3.72Å; L517-F519 HydrophobicContact CB-CZ 4.2Å; L517-F519 HydrophobicContact CD1-CE2 4.3Å; L517-F519 HydrophobicContact CD1-CZ 4.23Å; F519-W521 PolarHBondContact O-N 2.83Å; F519-M535 HydrophobicContact CD1-CB 4.09Å; F519-M535 HydrophobicContact CD1-CG 3.98Å; F519-M535 HydrophobicContact CE1-CB 4.04Å; F519-M535 HydrophobicContact CE1-CG 3.64Å; F519-M535 HydrophobicContact CE1-SD 3.76Å; F519-M535 HydrophobicContact CZ-CG 4.09Å; F519-M535 HydrophobicContact CZ-SD 3.92Å
520	Q	93.2	Very high	85.9	Confident	22 Å²	22	60.1 Å²	60.1	10%	0.103	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	112	177.3	-58.8	-59.3	-36.6	0	0	109.3	A532 Y533 D534 I536	Q520-A532 CarbonylContact O-C 3.58Å; Q520-A532 WeakPolarHBondContact O-CA 3.48Å; Q520-Y533 HydrophobicContact CB-CD1 4.07Å; Q520-Y533 HydrophobicContact CB-CE1 3.5Å; Q520-Y533 HydrophobicContact CB-CE2 4.44Å; Q520-Y533 WeakPolarHBondContact O-CD1 3.37Å; Q520-Y533 PolarHBondContact O-N 2.88Å; Q520-D534 HydrophobicContact CB-CB 3.97Å; Q520-D534 HydrophobicContact CG-CB 3.98Å; Q520-D534 PolarHBondContact N-O 3.23Å; Q520-I536 HydrophobicContact CG-CD1 4.06Å; Q520-I536 HydrophobicContact CG-CG1 4.3Å; Q520-I536 VanDerWaalsContact NE2-CD1 3.32Å
521	W	94.2	Very high	86.5	Confident	2 Å²	2	56.2 Å²	56.2	1%	0.008	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	136.4	174.3	-70.9	76.3	0	0	0	109.8	P396 L399 M400 Y436 I499 V500 I502 F519 W530 Q531 A532	P396-W521 HydrophobicContact CB-CB 3.95Å; P396-W521 HydrophobicContact CB-CD2 3.82Å; P396-W521 HydrophobicContact CB-CE3 3.87Å; P396-W521 HydrophobicContact CB-CG 3.87Å; L399-W521 HydrophobicContact CB-CH2 3.53Å; L399-W521 HydrophobicContact CB-CZ2 4.42Å; L399-W521 HydrophobicContact CB-CZ3 3.76Å; L399-W521 HydrophobicContact CD1-CH2 4.45Å; L399-W521 HydrophobicContact CD1-CZ3 3.84Å; L399-W521 HydrophobicContact CG-CZ3 4.49Å; M400-W521 HydrophobicContact CB-CZ2 3.88Å; M400-W521 HydrophobicContact CE-CZ2 3.84Å; M400-W521 VanDerWaalsContact CE-NE1 3.31Å; Y436-W521 HydrophobicContact CD1-CH2 4.21Å; Y436-W521 HydrophobicContact CG-CH2 4.5Å; I499-W521 CarbonylContact C-O 3.54Å; I499-W521 VanDerWaalsContact CA-O 3.22Å; I499-W521 WeakPolarHBondContact CA-O 3.11Å; V500-W521 PolarHBondContact N-O 3.21Å; V500-W521 WeakPolarHBondContact O-CB 3.3Å; V500-W521 PolarHBondContact O-N 3.06Å; I502-W521 HydrophobicContact CD1-CG 4.2Å; F519-W521 PolarHBondContact O-N 2.83Å; W521-W530 HydrophobicContact CB-CE3 4.01Å; W521-W530 HydrophobicContact CB-CZ3 4.47Å; W521-W530 HydrophobicContact CE3-CB 3.98Å; W521-W530 HydrophobicContact CZ3-CB 4.44Å; W521-Q531 WeakPolarHBondContact CA-O 3.15Å; W521-A532 HydrophobicContact CD2-CB 4.21Å; W521-A532 HydrophobicContact CZ2-CB 4.33Å
522	R	91.6	Very high	87.4	Confident	13 Å²	13	53.7 Å²	53.7	5%	0.049	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	147.5	170.7	69.8	177.2	-67.9	-118.7	8.4	111.3	Y441 T498 I499 N524 W530 Q531 Y533	Y441-R522 VanDerWaalsContact CE2-NH1 3.26Å; T498-R522 CarbonylContact O-C 3.51Å; T498-R522 VanDerWaalsContact O-CA 3.26Å; T498-R522 WeakPolarHBondContact O-CA 3.45Å; I499-R522 HydrophobicContact CG1-CB 4.25Å; R522-N524 PolarHBondContact O-N 2.91Å; R522-W530 WeakPolarHBondContact O-CA 3.2Å; R522-Q531 PolarHBondContact N-O 3Å; R522-Q531 PolarHBondContact O-N 2.94Å; R522-Y533 HydrophobicContact CB-CD1 3.9Å; R522-Y533 HydrophobicContact CB-CE1 4.03Å; R522-Y533 HydrophobicContact CG-CD1 3.8Å; R522-Y533 HydrophobicContact CG-CE1 4.4Å
523	K	89.2	Confident	88.1	Confident	99 Å²	99	46.7 Å²	46.7	43%	0.43	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	116.6	167.9	-162.6	174.4	-174.9	175.1	0	108.5	T498 S525 G528 W530	T498-K523 PolarHBondContact O-N 3.34Å; K523-S525 PolarHBondContact O-N 3.15Å; K523-G528 WeakPolarHBondContact CE-O 3.27Å; K523-G528 VanDerWaalsContact CG-O 3.29Å; K523-G528 WeakPolarHBondContact CG-O 3.35Å; K523-W530 HydrophobicContact CB-CD2 4.07Å; K523-W530 HydrophobicContact CB-CE3 4.14Å; K523-W530 HydrophobicContact CB-CH2 4.06Å; K523-W530 HydrophobicContact CB-CZ2 3.99Å; K523-W530 HydrophobicContact CB-CZ3 4.13Å; K523-W530 HydrophobicContact CD-CZ2 4.27Å; K523-W530 HydrophobicContact CG-CD2 4.47Å; K523-W530 HydrophobicContact CG-CZ2 4.45Å; K523-W530 VanDerWaalsContact N-CE3 3.34Å
524	N	85.1	Confident	88.7	Confident	10 Å²	10	42.5 Å²	42.5	5%	0.053	23%	0.228	C	C	.	.			trans	-67.3	117.7	177.7	179.2	-22.4	0	0	0	109.3	Q438 R522 Q526 T527 G528 N529 Q531	Q438-N524 PolarHBondContact NE2-ND2 3.35Å; R522-N524 PolarHBondContact O-N 2.91Å; N524-Q526 PolarHBondContact O-N 3.3Å; N524-Q526 VanDerWaalsContact O-N 3.16Å; N524-Q526 WeakPolarHBondContact OD1-CB 3.38Å; N524-Q526 PolarHBondContact OD1-N 2.93Å; N524-T527 VanDerWaalsContact CB-OG1 3.32Å; N524-T527 WeakPolarHBondContact CB-OG1 3.4Å; N524-T527 PolarHBondContact ND2-OG1 3.33Å; N524-T527 PolarHBondContact OD1-N 3.31Å; N524-G528 VanDerWaalsContact O-CA 3.22Å; N524-G528 WeakPolarHBondContact O-CA 3.25Å; N524-G528 PolarHBondContact O-N 3.09Å; N524-N529 WeakPolarHBondContact CB-O 3.34Å; N524-N529 PolarHBondContact N-O 2.82Å; N524-Q531 PolarHBondContact ND2-OE1 3.15Å
525	S	80.1	Confident	89	Confident	84 Å²	84	41.5 Å²	41.5	59%	0.587	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-23.7	-177.4	-45.6	0	0	0	0	113.8	K523	K523-S525 PolarHBondContact O-N 3.15Å
526	Q	79.1	Confident	89.1	Confident	117 Å²	117	39.2 Å²	39.2	55%	0.547	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-46.4	-179	-65.1	-175	-18.2	0	0	113	P342 E343 N524	P342-Q526 PolarHBondContact O-NE2 3.23Å; E343-Q526 PolarHBondContact O-NE2 3.15Å; E343-Q526 PolarHBondContact O-OE1 3.37Å; N524-Q526 PolarHBondContact O-N 3.3Å; N524-Q526 VanDerWaalsContact O-N 3.16Å; N524-Q526 WeakPolarHBondContact OD1-CB 3.38Å; N524-Q526 PolarHBondContact OD1-N 2.93Å
527	T	82.7	Confident	89	Confident	78 Å²	78	35.5 Å²	35.5	48%	0.479	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-16.6	-176.3	60.8	0	0	0	0	113.1	N524 N529	N524-T527 VanDerWaalsContact CB-OG1 3.32Å; N524-T527 WeakPolarHBondContact CB-OG1 3.4Å; N524-T527 PolarHBondContact ND2-OG1 3.33Å; N524-T527 PolarHBondContact OD1-N 3.31Å; T527-N529 PolarHBondContact O-N 3.07Å; T527-N529 PolarHBondContact O-OD1 2.93Å; T527-N529 PolarHBondContact OG1-N 3.31Å
528	G	82.9	Confident	88.4	Confident	34 Å²	34	37.9 Å²	37.9	35%	0.351	21%	0.206	S	C	.	.			trans	76.2	-13.6	-172.7	0	0	0	0	0	114.9	K523 N524	K523-G528 WeakPolarHBondContact CE-O 3.27Å; K523-G528 VanDerWaalsContact CG-O 3.29Å; K523-G528 WeakPolarHBondContact CG-O 3.35Å; N524-G528 VanDerWaalsContact O-CA 3.22Å; N524-G528 WeakPolarHBondContact O-CA 3.25Å; N524-G528 PolarHBondContact O-N 3.09Å
529	N	88.6	Confident	87.7	Confident	53 Å²	53	38.6 Å²	38.6	28%	0.283	22%	0.219	S	C	.	.			trans	-71.3	146.5	-178.6	-62	-12.9	0	0	0	113.1	Q393 N524 T527	Q393-N529 PolarHBondContact OE1-ND2 2.86Å; Q393-N529 PolarHBondContact OE1-OD1 3.45Å; N524-N529 WeakPolarHBondContact CB-O 3.34Å; N524-N529 PolarHBondContact N-O 2.82Å; T527-N529 PolarHBondContact O-N 3.07Å; T527-N529 PolarHBondContact O-OD1 2.93Å; T527-N529 PolarHBondContact OG1-N 3.31Å
530	W	91.9	Very high	87	Confident	13 Å²	13	39.9 Å²	39.9	5%	0.049	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	133.2	169.5	-72.7	95.5	0	0	0	111.4	T394 P396 L399 K497 T498 V500 W521 R522 K523	T394-W530 PolarHBondContact O-NE1 2.79Å; T394-W530 VanDerWaalsContact O-NE1 3.08Å; P396-W530 HydrophobicContact CB-CB 4.01Å; P396-W530 HydrophobicContact CB-CD2 4.08Å; P396-W530 HydrophobicContact CB-CE3 4.18Å; P396-W530 HydrophobicContact CB-CG 4.02Å; P396-W530 HydrophobicContact CG-CD2 3.93Å; P396-W530 HydrophobicContact CG-CE3 4.14Å; P396-W530 HydrophobicContact CG-CG 4.17Å; L399-W530 HydrophobicContact CD1-CB 4.05Å; K497-W530 VanDerWaalsContact O-CH2 3.31Å; K497-W530 WeakPolarHBondContact O-CH2 3.35Å; T498-W530 WeakPolarHBondContact O-CZ3 3.45Å; V500-W530 HydrophobicContact CB-CH2 4.48Å; V500-W530 HydrophobicContact CB-CZ3 4.23Å; V500-W530 HydrophobicContact CG2-CH2 3.65Å; V500-W530 HydrophobicContact CG2-CZ3 3.88Å; W521-W530 HydrophobicContact CB-CE3 4.01Å; W521-W530 HydrophobicContact CB-CZ3 4.47Å; W521-W530 HydrophobicContact CE3-CB 3.98Å; W521-W530 HydrophobicContact CZ3-CB 4.44Å; R522-W530 WeakPolarHBondContact O-CA 3.2Å; K523-W530 HydrophobicContact CB-CD2 4.07Å; K523-W530 HydrophobicContact CB-CE3 4.14Å; K523-W530 HydrophobicContact CB-CH2 4.06Å; K523-W530 HydrophobicContact CB-CZ2 3.99Å; K523-W530 HydrophobicContact CB-CZ3 4.13Å; K523-W530 HydrophobicContact CD-CZ2 4.27Å; K523-W530 HydrophobicContact CG-CD2 4.47Å; K523-W530 HydrophobicContact CG-CZ2 4.45Å; K523-W530 VanDerWaalsContact N-CE3 3.34Å
531	Q	92.8	Very high	86.6	Confident	38 Å²	38	39.2 Å²	39.2	18%	0.178	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	140	177.5	-59.4	-175.9	-80	0	0	110	Y436 Q438 W521 R522 N524	Y436-Q531 CarbonylContact O-C 3.51Å; Y436-Q531 WeakPolarHBondContact O-CA 3.09Å; Q438-Q531 HydrophobicContact CB-CB 3.81Å; W521-Q531 WeakPolarHBondContact CA-O 3.15Å; R522-Q531 PolarHBondContact N-O 3Å; R522-Q531 PolarHBondContact O-N 2.94Å; N524-Q531 PolarHBondContact ND2-OE1 3.15Å
532	A	93.7	Very high	86.1	Confident	8 Å²	8	42.7 Å²	42.7	7%	0.066	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	146.6	170.4	0	0	0	0	0	110.1	Y436 V437 Q438 Q520 W521	Y436-A532 PolarHBondContact O-N 3.38Å; V437-A532 CarbonylContact C-O 3.6Å; V437-A532 VanDerWaalsContact CA-O 3.28Å; V437-A532 WeakPolarHBondContact CA-O 3.39Å; V437-A532 HydrophobicContact CG2-CB 4.35Å; Q438-A532 PolarHBondContact N-O 3.23Å; Q520-A532 CarbonylContact O-C 3.58Å; Q520-A532 WeakPolarHBondContact O-CA 3.48Å; W521-A532 HydrophobicContact CD2-CB 4.21Å; W521-A532 HydrophobicContact CZ2-CB 4.33Å
533	Y	92.5	Very high	85.8	Confident	10 Å²	10	42.8 Å²	42.8	4%	0.039	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	-32.8	175.7	74.5	-86.7	0	0	0	113.9	D357 Y441 A442 L445 I499 Q520 R522 I543	D357-Y533 PolarHBondContact OD2-OH 2.8Å; Y441-Y533 HydrophobicContact CD1-CD2 4.07Å; Y441-Y533 AromaticContact CD1-CG 3.95Å; Y441-Y533 HydrophobicContact CD1-CG 3.95Å; Y441-Y533 HydrophobicContact CE1-CD1 4.43Å; Y441-Y533 AromaticContact CE1-CD2 3.78Å; Y441-Y533 HydrophobicContact CE1-CD2 3.78Å; Y441-Y533 HydrophobicContact CE1-CE2 4.22Å; Y441-Y533 AromaticContact CE1-CG 3.89Å; Y441-Y533 HydrophobicContact CE1-CG 3.89Å; A442-Y533 VanDerWaalsContact CB-O 3.26Å; A442-Y533 WeakPolarHBondContact CB-O 3.39Å; L445-Y533 HydrophobicContact CD1-CD2 3.4Å; L445-Y533 VanDerWaalsContact CD1-CD2 3.4Å; L445-Y533 HydrophobicContact CD1-CE2 3.55Å; I499-Y533 HydrophobicContact CG2-CE1 4.26Å; Q520-Y533 HydrophobicContact CB-CD1 4.07Å; Q520-Y533 HydrophobicContact CB-CE1 3.5Å; Q520-Y533 HydrophobicContact CB-CE2 4.44Å; Q520-Y533 WeakPolarHBondContact O-CD1 3.37Å; Q520-Y533 PolarHBondContact O-N 2.88Å; R522-Y533 HydrophobicContact CB-CD1 3.9Å; R522-Y533 HydrophobicContact CB-CE1 4.03Å; R522-Y533 HydrophobicContact CG-CD1 3.8Å; R522-Y533 HydrophobicContact CG-CE1 4.4Å; Y533-I543 HydrophobicContact CD2-CD1 3.88Å; Y533-I543 HydrophobicContact CE2-CD1 4.46Å; Y533-I543 VanDerWaalsContact O-CD1 3.31Å; Y533-I543 WeakPolarHBondContact O-CD1 3.36Å
534	D	92.8	Very high	85.5	Confident	7 Å²	7	38.7 Å²	38.7	4%	0.037	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	152.5	176.1	-162.8	12.8	0	0	0	110.5	K359 Q520 S541 M542 I543	K359-D534 IonicContact NZ-OD2 3.83Å; Q520-D534 HydrophobicContact CB-CB 3.97Å; Q520-D534 HydrophobicContact CG-CB 3.98Å; Q520-D534 PolarHBondContact N-O 3.23Å; D534-S541 PolarHBondContact OD1-OG 2.85Å; D534-S541 WeakPolarHBondContact OD2-CB 3.16Å; D534-S541 PolarHBondContact OD2-OG 2.89Å; D534-M542 PolarHBondContact OD1-N 3.48Å; D534-I543 HydrophobicContact CB-CD1 3.84Å; D534-I543 HydrophobicContact CB-CG1 4.21Å; D534-I543 WeakPolarHBondContact OD1-CG1 3.48Å; D534-I543 PolarHBondContact OD1-N 3.21Å; D534-I543 VanDerWaalsContact OD1-N 3.09Å
535	M	90.7	Very high	85.3	Confident	23 Å²	23	40.4 Å²	40.4	11%	0.113	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	127.3	169.3	-177.6	-172.3	68.5	0	0	107.7	Y474 L517 F519 A537 M542	Y474-M535 HydrophobicContact CE1-CE 3.66Å; Y474-M535 HydrophobicContact CE1-SD 3.8Å; L517-M535 HydrophobicContact CD2-SD 4.19Å; F519-M535 HydrophobicContact CD1-CB 4.09Å; F519-M535 HydrophobicContact CD1-CG 3.98Å; F519-M535 HydrophobicContact CE1-CB 4.04Å; F519-M535 HydrophobicContact CE1-CG 3.64Å; F519-M535 HydrophobicContact CE1-SD 3.76Å; F519-M535 HydrophobicContact CZ-CG 4.09Å; F519-M535 HydrophobicContact CZ-SD 3.92Å; M535-A537 HydrophobicContact CE-CB 4.41Å; M535-M542 HydrophobicContact CB-CG 4.5Å; M535-M542 HydrophobicContact CE-CG 3.7Å; M535-M542 HydrophobicContact CE-SD 4.46Å; M535-M542 WeakPolarHBondContact O-CG 3.44Å; M535-M542 PolarHBondContact O-N 3.08Å
536	I	86.2	Confident	85.5	Confident	18 Å²	18	38.3 Å²	38.3	9%	0.092	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	104.4	176.5	-54.2	-176.7	0	0	0	107	D518 Q520 G539 V540	D518-I536 HydrophobicContact CB-CB 4.13Å; D518-I536 PolarHBondContact N-O 3.32Å; D518-I536 PolarHBondContact O-N 3.46Å; Q520-I536 HydrophobicContact CG-CD1 4.06Å; Q520-I536 HydrophobicContact CG-CG1 4.3Å; Q520-I536 VanDerWaalsContact NE2-CD1 3.32Å; I536-G539 VanDerWaalsContact CG2-CA 3.42Å; I536-G539 WeakPolarHBondContact CG2-O 3.46Å; I536-V540 WeakPolarHBondContact CA-O 3.43Å
537	A	84.9	Confident	85.6	Confident	24 Å²	24	34.5 Å²	34.5	20%	0.198	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	123.5	177.4	0	0	0	0	0	109.3	L517 M535 G539 V540	L517-A537 HydrophobicContact CD2-CB 3.69Å; M535-A537 HydrophobicContact CE-CB 4.41Å; A537-G539 PolarHBondContact O-N 3.43Å; A537-G539 VanDerWaalsContact O-N 3.12Å; A537-V540 PolarHBondContact N-O 3.39Å; A537-V540 PolarHBondContact O-N 3.5Å
538	E	79.3	Confident	85.3	Confident	77 Å²	77	34.8 Å²	34.8	36%	0.36	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	38.6	-177.2	-61.2	-58.8	151.9	0	0	113.1	Q370 V515 R516 V540	Q370-E538 PolarHBondContact NE2-OE2 3.32Å; V515-E538 WeakPolarHBondContact CA-OE1 3.38Å; R516-E538 PolarHBondContact N-OE1 3.35Å; R516-E538 PolarHBondContact O-N 3.39Å; E538-V540 VanDerWaalsContact C-N 3.27Å; E538-V540 PolarHBondContact O-N 3.43Å
539	G	76.9	Confident	84.9	Confident	39 Å²	39	37.4 Å²	37.4	40%	0.402	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	-4.5	-178.6	0	0	0	0	0	115.4	M362 I536 A537	M362-G539 WeakPolarHBondContact CE-O 3.3Å; I536-G539 VanDerWaalsContact CG2-CA 3.42Å; I536-G539 WeakPolarHBondContact CG2-O 3.46Å; A537-G539 PolarHBondContact O-N 3.43Å; A537-G539 VanDerWaalsContact O-N 3.12Å
540	V	79.3	Confident	84.4	Confident	69 Å²	69	37.8 Å²	37.8	42%	0.418	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	113.7	177.8	-175.5	0	0	0	0	110.6	I536 A537 E538 M542 T545	I536-V540 WeakPolarHBondContact CA-O 3.43Å; A537-V540 PolarHBondContact N-O 3.39Å; A537-V540 PolarHBondContact O-N 3.5Å; E538-V540 VanDerWaalsContact C-N 3.27Å; E538-V540 PolarHBondContact O-N 3.43Å; V540-M542 HydrophobicContact CB-CE 4.47Å; V540-M542 HydrophobicContact CG1-CE 4.15Å; V540-M542 WeakPolarHBondContact O-CE 3.49Å; V540-M542 PolarHBondContact O-N 3.08Å; V540-T545 VanDerWaalsContact CG1-OG1 3.26Å; V540-T545 WeakPolarHBondContact CG1-OG1 3.24Å
541	S	83.9	Confident	83.3	Confident	8 Å²	8	38 Å²	38	6%	0.056	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	125.3	174.3	161.5	0	0	0	0	111.2	K359 D534 T544 T545	K359-S541 PolarHBondContact NZ-OG 3.25Å; D534-S541 PolarHBondContact OD1-OG 2.85Å; D534-S541 WeakPolarHBondContact OD2-CB 3.16Å; D534-S541 PolarHBondContact OD2-OG 2.89Å; S541-T544 PolarHBondContact O-N 3.39Å; S541-T544 PolarHBondContact OG-N 3.28Å; S541-T544 VanDerWaalsContact OG-N 3.12Å; S541-T544 PolarHBondContact OG-OG1 3.34Å; S541-T545 WeakPolarHBondContact O-CB 3.38Å; S541-T545 PolarHBondContact O-N 3.1Å; S541-T545 PolarHBondContact O-OG1 2.71Å
542	M	83.7	Confident	82	Confident	74 Å²	74	39.5 Å²	39.5	37%	0.365	22%	0.22	S	C	.	.	H	α-helix	trans	-66.8	-39.9	177.5	-70.2	-60.8	100.1	0	0	111.7	D534 M535 V540 T545 K546	D534-M542 PolarHBondContact OD1-N 3.48Å; M535-M542 HydrophobicContact CB-CG 4.5Å; M535-M542 HydrophobicContact CE-CG 3.7Å; M535-M542 HydrophobicContact CE-SD 4.46Å; M535-M542 WeakPolarHBondContact O-CG 3.44Å; M535-M542 PolarHBondContact O-N 3.08Å; V540-M542 HydrophobicContact CB-CE 4.47Å; V540-M542 HydrophobicContact CG1-CE 4.15Å; V540-M542 WeakPolarHBondContact O-CE 3.49Å; V540-M542 PolarHBondContact O-N 3.08Å; M542-T545 PolarHBondContact O-N 3.07Å; M542-K546 WeakPolarHBondContact O-CB 3.19Å; M542-K546 PolarHBondContact O-N 3.11Å
543	I	86	Confident	80.7	Confident	15 Å²	15	44.1 Å²	44.1	8%	0.077	24%	0.244	C	C	.	.	H	α-helix	trans	-60.8	-51	174.9	-73.1	-175.4	0	0	0	111	A442 L445 V446 Y533 D534 T545 K546 Q547	A442-I543 HydrophobicContact CB-CD1 4.17Å; L445-I543 HydrophobicContact CB-CD1 4.06Å; L445-I543 HydrophobicContact CB-CG2 3.79Å; L445-I543 HydrophobicContact CD1-CD1 3.74Å; V446-I543 HydrophobicContact CG2-CB 4.41Å; V446-I543 HydrophobicContact CG2-CG1 4.15Å; V446-I543 HydrophobicContact CG2-CG2 4.18Å; Y533-I543 HydrophobicContact CD2-CD1 3.88Å; Y533-I543 HydrophobicContact CE2-CD1 4.46Å; Y533-I543 VanDerWaalsContact O-CD1 3.31Å; Y533-I543 WeakPolarHBondContact O-CD1 3.36Å; D534-I543 HydrophobicContact CB-CD1 3.84Å; D534-I543 HydrophobicContact CB-CG1 4.21Å; D534-I543 WeakPolarHBondContact OD1-CG1 3.48Å; D534-I543 PolarHBondContact OD1-N 3.21Å; D534-I543 VanDerWaalsContact OD1-N 3.09Å; I543-T545 VanDerWaalsContact C-N 3.31Å; I543-T545 PolarHBondContact O-N 3.32Å; I543-K546 PolarHBondContact O-N 2.91Å; I543-Q547 VanDerWaalsContact O-CB 3.25Å; I543-Q547 WeakPolarHBondContact O-CB 3.15Å; I543-Q547 PolarHBondContact O-N 3.46Å
544	T	82.2	Confident	79.5	Confident	13 Å²	13	46.8 Å²	46.8	8%	0.08	26%	0.258	C	S	.	.	H	α-helix	trans	-64	-38.5	-178.3	-63.6	0	0	0	0	111.6	K359 S541 N548	K359-T544 PolarHBondContact NZ-OG1 2.85Å; S541-T544 PolarHBondContact O-N 3.39Å; S541-T544 PolarHBondContact OG-N 3.28Å; S541-T544 VanDerWaalsContact OG-N 3.12Å; S541-T544 PolarHBondContact OG-OG1 3.34Å; T544-N548 VanDerWaalsContact O-CG 3.22Å; T544-N548 PolarHBondContact O-N 2.97Å; T544-N548 PolarHBondContact O-ND2 2.66Å
545	T	81.4	Confident	78	Confident	46 Å²	46	53.8 Å²	53.8	28%	0.282	28%	0.284	S	S	.	.	H	α-helix	trans	-59.9	-48.4	175	-57.3	0	0	0	0	110.5	V540 S541 M542 I543 N548 E549	V540-T545 VanDerWaalsContact CG1-OG1 3.26Å; V540-T545 WeakPolarHBondContact CG1-OG1 3.24Å; S541-T545 WeakPolarHBondContact O-CB 3.38Å; S541-T545 PolarHBondContact O-N 3.1Å; S541-T545 PolarHBondContact O-OG1 2.71Å; M542-T545 PolarHBondContact O-N 3.07Å; I543-T545 VanDerWaalsContact C-N 3.31Å; I543-T545 PolarHBondContact O-N 3.32Å; T545-N548 PolarHBondContact O-N 3.06Å; T545-E549 WeakPolarHBondContact O-CG 3.33Å; T545-E549 PolarHBondContact O-N 2.86Å
546	K	84.3	Confident	76.2	Confident	40 Å²	40	56.9 Å²	56.9	17%	0.174	30%	0.304	C	S	.	.	H	α-helix	trans	-71.7	-34.1	-178.8	-150.9	56.3	121.8	-173.4	0	114.1	V446 Y469 M542 I543 N548 E549 W550	V446-K546 HydrophobicContact CG1-CB 4.06Å; V446-K546 HydrophobicContact CG1-CG 4.01Å; V446-K546 HydrophobicContact CG2-CB 4.38Å; Y469-K546 VanDerWaalsContact CZ-CE 3.41Å; Y469-K546 WeakPolarHBondContact OH-CE 3.48Å; Y469-K546 PolarHBondContact OH-NZ 3.34Å; M542-K546 WeakPolarHBondContact O-CB 3.19Å; M542-K546 PolarHBondContact O-N 3.11Å; I543-K546 PolarHBondContact O-N 2.91Å; K546-N548 VanDerWaalsContact C-N 3.29Å; K546-N548 PolarHBondContact O-N 3.08Å; K546-E549 HydrophobicContact CD-CB 4.34Å; K546-E549 WeakPolarHBondContact CD-OE2 3.49Å; K546-E549 IonicContact NZ-OE2 3.67Å; K546-E549 PolarHBondContact NZ-OE2 3.21Å; K546-E549 PolarHBondContact O-N 3.3Å; K546-W550 HydrophobicContact CD-CD2 4.39Å; K546-W550 HydrophobicContact CD-CG 4.48Å; K546-W550 HydrophobicContact CD-CZ2 4.23Å; K546-W550 HydrophobicContact CG-CD2 3.92Å; K546-W550 HydrophobicContact CG-CE3 4.42Å; K546-W550 HydrophobicContact CG-CG 4.27Å; K546-W550 HydrophobicContact CG-CH2 4.46Å; K546-W550 HydrophobicContact CG-CZ2 4Å; K546-W550 VanDerWaalsContact O-CB 3.3Å; K546-W550 WeakPolarHBondContact O-CB 3.36Å; K546-W550 PolarHBondContact O-N 3.34Å
547	Q	81.3	Confident	74.5	Confident	38 Å²	38	60.3 Å²	60.3	18%	0.178	32%	0.318	C	S	.	.	H	α-helix	trans	-60.6	-39.8	172.1	-171.4	180	23.7	0	0	111.3	I543 G551	I543-Q547 VanDerWaalsContact O-CB 3.25Å; I543-Q547 WeakPolarHBondContact O-CB 3.15Å; I543-Q547 PolarHBondContact O-N 3.46Å; Q547-G551 WeakPolarHBondContact O-CA 3.25Å; Q547-G551 PolarHBondContact O-N 3.26Å
548	N	75.9	Confident	72.6	Confident	84 Å²	84	65.6 Å²	65.6	45%	0.449	34%	0.339	S	S	.	.	H	α-helix	trans	-70.1	-47.2	175.7	-67.1	-33.6	0	0	0	111.8	T544 T545 K546 W550 T552	T544-N548 VanDerWaalsContact O-CG 3.22Å; T544-N548 PolarHBondContact O-N 2.97Å; T544-N548 PolarHBondContact O-ND2 2.66Å; T545-N548 PolarHBondContact O-N 3.06Å; K546-N548 VanDerWaalsContact C-N 3.29Å; K546-N548 PolarHBondContact O-N 3.08Å; N548-W550 PolarHBondContact O-N 2.84Å; N548-T552 PolarHBondContact O-N 3.4Å
549	E	74.1	Confident	70.9	Confident	88 Å²	88	68.5 Å²	68.5	41%	0.411	36%	0.357	S	S	.	.	H	α-helix	trans	-57.1	-51.6	177	-73.6	175	-169	0	0	110.8	T545 K546 T552	T545-E549 WeakPolarHBondContact O-CG 3.33Å; T545-E549 PolarHBondContact O-N 2.86Å; K546-E549 HydrophobicContact CD-CB 4.34Å; K546-E549 WeakPolarHBondContact CD-OE2 3.49Å; K546-E549 IonicContact NZ-OE2 3.67Å; K546-E549 PolarHBondContact NZ-OE2 3.21Å; K546-E549 PolarHBondContact O-N 3.3Å; E549-T552 PolarHBondContact O-N 2.97Å; E549-T552 PolarHBondContact O-OG1 3.4Å
550	W	78.7	Confident	68.9	Low	62 Å²	62	73.5 Å²	73.5	24%	0.235	37%	0.37	C	S	.	.	H	α-helix	trans	-78.7	-29.5	-175.4	-68.2	5.5	0	0	0	113	V446 Y462 F466 K546 N548 T552 L553 L554	V446-W550 HydrophobicContact CG1-CD2 4.11Å; V446-W550 HydrophobicContact CG1-CE3 3.36Å; V446-W550 HydrophobicContact CG1-CZ3 3.6Å; Y462-W550 HydrophobicContact CE2-CE3 4.37Å; Y462-W550 HydrophobicContact CE2-CH2 4.43Å; Y462-W550 AromaticContact CE2-CZ3 3.62Å; Y462-W550 HydrophobicContact CE2-CZ3 3.62Å; Y462-W550 WeakPolarHBondContact OH-CZ3 3.35Å; F466-W550 HydrophobicContact CD2-CH2 4.08Å; F466-W550 HydrophobicContact CD2-CZ3 4.24Å; F466-W550 HydrophobicContact CE2-CH2 4.46Å; K546-W550 HydrophobicContact CD-CD2 4.39Å; K546-W550 HydrophobicContact CD-CG 4.48Å; K546-W550 HydrophobicContact CD-CZ2 4.23Å; K546-W550 HydrophobicContact CG-CD2 3.92Å; K546-W550 HydrophobicContact CG-CE3 4.42Å; K546-W550 HydrophobicContact CG-CG 4.27Å; K546-W550 HydrophobicContact CG-CH2 4.46Å; K546-W550 HydrophobicContact CG-CZ2 4Å; K546-W550 VanDerWaalsContact O-CB 3.3Å; K546-W550 WeakPolarHBondContact O-CB 3.36Å; K546-W550 PolarHBondContact O-N 3.34Å; N548-W550 PolarHBondContact O-N 2.84Å; W550-T552 PolarHBondContact O-N 2.98Å; W550-L553 PolarHBondContact O-N 3.22Å; W550-L553 VanDerWaalsContact O-N 3.12Å; W550-L554 WeakPolarHBondContact O-CB 3.23Å; W550-L554 VanDerWaalsContact O-CG 3.31Å; W550-L554 WeakPolarHBondContact O-CG 3.41Å; W550-L554 PolarHBondContact O-N 2.64Å
551	G	69.2	Low	66.6	Low	16 Å²	16	76.7 Å²	76.7	17%	0.165	40%	0.395	C	S	.	.	H	α-helix	trans	-57.8	-38	172.6	0	0	0	0	0	112.2	Q547 R555	Q547-G551 WeakPolarHBondContact O-CA 3.25Å; Q547-G551 PolarHBondContact O-N 3.26Å; G551-R555 WeakPolarHBondContact O-CB 3.39Å; G551-R555 PolarHBondContact O-N 3.33Å
552	T	65.4	Low	63.9	Low	70 Å²	70	78.8 Å²	78.8	43%	0.429	42%	0.418	S	S	.	.	H	α-helix	trans	-67.5	-39.1	175.1	63.4	0	0	0	0	112.7	N548 E549 W550 T556	N548-T552 PolarHBondContact O-N 3.4Å; E549-T552 PolarHBondContact O-N 2.97Å; E549-T552 PolarHBondContact O-OG1 3.4Å; W550-T552 PolarHBondContact O-N 2.98Å; T552-T556 WeakPolarHBondContact O-CB 3.46Å; T552-T556 PolarHBondContact O-N 3.37Å; T552-T556 VanDerWaalsContact O-N 3.1Å; T552-T556 PolarHBondContact O-OG1 2.96Å
553	L	66.8	Low	61.3	Low	106 Å²	106	87.2 Å²	87.2	56%	0.555	45%	0.446	S	S	*	.	H	α-helix	trans	-67.2	-44	176.2	-65.9	174.1	0	0	0	112.2	W550 K557	W550-L553 PolarHBondContact O-N 3.22Å; W550-L553 VanDerWaalsContact O-N 3.12Å; L553-K557 PolarHBondContact O-N 3.33Å
554	L	67.5	Low	58.9	Low	65 Å²	65	95.4 Å²	95.4	34%	0.34	48%	0.484	S	S	.	.	H	α-helix	trans	-66.8	-43.7	178.6	-69.7	168.9	0	0	0	111.2	L447 Y450 W550 K557 E558	L447-L554 HydrophobicContact CD2-CD1 4.41Å; Y450-L554 HydrophobicContact CD1-CB 4.4Å; Y450-L554 HydrophobicContact CD2-CB 4.27Å; Y450-L554 HydrophobicContact CD2-CD1 3.69Å; Y450-L554 HydrophobicContact CE1-CB 4.34Å; Y450-L554 HydrophobicContact CE2-CB 4.22Å; Y450-L554 HydrophobicContact CE2-CD1 4.33Å; Y450-L554 HydrophobicContact CG-CB 4.36Å; Y450-L554 HydrophobicContact CG-CD1 3.88Å; W550-L554 WeakPolarHBondContact O-CB 3.23Å; W550-L554 VanDerWaalsContact O-CG 3.31Å; W550-L554 WeakPolarHBondContact O-CG 3.41Å; W550-L554 PolarHBondContact O-N 2.64Å; L554-K557 PolarHBondContact O-N 2.91Å; L554-E558 PolarHBondContact O-N 3.12Å
555	R	59.5	Low	56.5	Low	155 Å²	155	100 Å²	100	59%	0.585	50%	0.503	S	S	*	.	H	α-helix	trans	-64.5	-42.6	178.2	-172.8	-179.5	68.9	177.7	0.4	113.1	G551 K557 E558	G551-R555 WeakPolarHBondContact O-CB 3.39Å; G551-R555 PolarHBondContact O-N 3.33Å; R555-K557 PolarHBondContact O-N 3.44Å; R555-E558 PolarHBondContact O-N 2.85Å
556	T	53.5	Low	54.1	Low	87 Å²	87	103.8 Å²	103.8	53%	0.534	52%	0.52	S	S	.	.	H	α-helix	trans	-62.4	-30.9	179.9	-55.1	0	0	0	0	111.5	T552	T552-T556 WeakPolarHBondContact O-CB 3.46Å; T552-T556 PolarHBondContact O-N 3.37Å; T552-T556 VanDerWaalsContact O-N 3.1Å; T552-T556 PolarHBondContact O-OG1 2.96Å
557	K	50.2	Low	51.7	Low	90 Å²	90	108.7 Å²	108.7	39%	0.391	55%	0.545	S	S	.	.	H	α-helix	trans	-81.7	-25.9	179.4	-73.2	-174.1	176.6	-179.2	0	114.4	L553 L554 R555 N559 H560 K565	L553-K557 PolarHBondContact O-N 3.33Å; L554-K557 PolarHBondContact O-N 2.91Å; R555-K557 PolarHBondContact O-N 3.44Å; K557-N559 VanDerWaalsContact C-N 3.28Å; K557-N559 PolarHBondContact O-N 3.21Å; K557-H560 PolarHBondContact O-N 3.11Å; K557-H560 VanDerWaalsContact O-N 3.16Å; K557-K565 PolarHBondContact NZ-O 3.45Å
558	E	46.6	Very low	49.8	Very low	135 Å²	135	109.7 Å²	109.7	63%	0.631	56%	0.556	S	S	*	*	H	α-helix	trans	-61.8	-34.5	173.4	-100.3	-175.5	151.6	0	0	112.7	L554 R555 H560	L554-E558 PolarHBondContact O-N 3.12Å; R555-E558 PolarHBondContact O-N 2.85Å; E558-H560 PolarHBondContact O-N 3.02Å
559	N	42.7	Very low	48.5	Very low	138 Å²	138	111.1 Å²	111.1	74%	0.738	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	-7.9	178	-75.2	-13.3	0	0	0	113.9	K557	K557-N559 VanDerWaalsContact C-N 3.28Å; K557-N559 PolarHBondContact O-N 3.21Å
560	H	35.2	Very low	47.8	Very low	145 Å²	145	111.4 Å²	111.4	67%	0.671	57%	0.572	S	S	*	*	S	Bend	trans	-112.8	89.2	174.3	-74.6	-16	0	0	0	109.2	K557 E558 G562	K557-H560 PolarHBondContact O-N 3.11Å; K557-H560 VanDerWaalsContact O-N 3.16Å; E558-H560 PolarHBondContact O-N 3.02Å; H560-G562 VanDerWaalsContact C-N 3.26Å; H560-G562 PolarHBondContact O-N 2.97Å
561	S	30.2	Very low	47.7	Very low	135 Å²	135	109.2 Å²	109.2	94%	0.944	57%	0.565	S	S	*	*			trans	-51.4	92.7	163.2	-176.5	0	0	0	0	109.7
562	G	27.9	Very low	47.9	Very low	53 Å²	53	110.6 Å²	110.6	55%	0.546	57%	0.572	S	S	.	*			trans	-170.4	72.9	-176	0	0	0	0	0	107.4	H560 E564	H560-G562 VanDerWaalsContact C-N 3.26Å; H560-G562 PolarHBondContact O-N 2.97Å; G562-E564 PolarHBondContact O-N 3.19Å
563	R	28.4	Very low	48.7	Very low	250 Å²	250	110.8 Å²	110.8	94%	0.943	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	69.4	-179.8	-77.3	178.8	144.8	132.1	-4.5	112.3
564	E	35.1	Very low	49.2	Very low	187 Å²	187	112 Å²	112	87%	0.874	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-166.8	12.1	164.1	-116	159	-159	0	0	115.7	G562 I566	G562-E564 PolarHBondContact O-N 3.19Å; E564-I566 VanDerWaalsContact C-N 3.34Å; E564-I566 PolarHBondContact O-N 3.44Å
565	K	32.5	Very low	49.8	Very low	110 Å²	110	112.9 Å²	112.9	48%	0.478	57%	0.572	S	S	.	*			trans	-94.2	52.3	179.6	-132	-179.9	-176.4	-157.3	0	113	K557 E585	K557-K565 PolarHBondContact NZ-O 3.45Å; K565-E585 WeakPolarHBondContact CE-OE1 3.34Å; K565-E585 IonicContact NZ-OE1 3.07Å; K565-E585 PolarHBondContact NZ-OE1 3.22Å
566	I	30.7	Very low	50.6	Low	126 Å²	126	110 Å²	110	65%	0.646	57%	0.571	S	S	*	*			trans	-74.1	125.6	167.3	-66.3	176.2	0	0	0	107.2	E564	E564-I566 VanDerWaalsContact C-N 3.34Å; E564-I566 PolarHBondContact O-N 3.44Å
567	M	34.1	Very low	51.8	Low	142 Å²	142	108.9 Å²	108.9	70%	0.7	58%	0.577	S	S	*	*			trans	49.6	82.2	170	-57.4	-163.3	-65.1	0	0	114.9	E569	M567-E569 VanDerWaalsContact C-N 3.32Å; M567-E569 PolarHBondContact O-N 2.96Å
568	S	41.9	Very low	53.4	Low	59 Å²	59	108.4 Å²	108.4	41%	0.413	58%	0.579	S	S	.	*			trans	-63.8	102.4	156.7	50.3	0	0	0	0	106.5	S570	S568-S570 PolarHBondContact O-N 3.04Å
569	E	48.4	Very low	54.9	Low	115 Å²	115	103.8 Å²	103.8	54%	0.537	56%	0.56	S	S	.	*			trans	-54.3	126.5	173.5	-63.9	172.5	168.1	0	0	107.6	M567 L571 G584 E585	M567-E569 VanDerWaalsContact C-N 3.32Å; M567-E569 PolarHBondContact O-N 2.96Å; E569-L571 PolarHBondContact O-N 3.01Å; E569-G584 VanDerWaalsContact O-CA 3.23Å; E569-G584 WeakPolarHBondContact O-CA 3.31Å; E569-E585 PolarHBondContact O-N 3.42Å
570	S	60.2	Low	56.9	Low	94 Å²	94	97.2 Å²	97.2	66%	0.657	53%	0.525	S	S	*	.			trans	-51.2	141.7	166.8	49.6	0	0	0	0	108.9	S568 S572	S568-S570 PolarHBondContact O-N 3.04Å; S570-S572 PolarHBondContact O-N 3.42Å
571	L	75.6	Confident	59.2	Low	15 Å²	15	91.6 Å²	91.6	8%	0.079	50%	0.504	C	S	.	.			trans	-48	114.9	177.4	-179	66.1	0	0	0	109.6	E569 W573 S583 L586 V590 L591 L594	E569-L571 PolarHBondContact O-N 3.01Å; L571-W573 HydrophobicContact CG-CE3 4.33Å; L571-S583 WeakPolarHBondContact CA-O 3.37Å; L571-L586 HydrophobicContact CD1-CD1 3.81Å; L571-L586 HydrophobicContact CD1-CG 3.94Å; L571-V590 HydrophobicContact CB-CB 4.29Å; L571-V590 HydrophobicContact CB-CG2 4.07Å; L571-L591 HydrophobicContact CD2-CD2 4.01Å; L571-L594 HydrophobicContact CD2-CB 4.1Å; L571-L594 HydrophobicContact CD2-CD2 4.11Å
572	S	74.2	Confident	61.8	Low	46 Å²	46	85.3 Å²	85.3	32%	0.322	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	143.5	176.8	46.8	0	0	0	0	107.9	S570 S583	S570-S572 PolarHBondContact O-N 3.42Å; S572-S583 PolarHBondContact N-O 3.04Å; S572-S583 PolarHBondContact O-N 3.29Å; S572-S583 PolarHBondContact O-OG 3Å; S572-S583 PolarHBondContact OG-O 2.93Å; S572-S583 PolarHBondContact OG-OG 3.44Å
573	W	82	Confident	64.2	Low	73 Å²	73	83.9 Å²	83.9	28%	0.277	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	142.7	178.8	62	93.8	0	0	0	109.8	L571 L580 A581 L582 P593 L594 M597	L571-W573 HydrophobicContact CG-CE3 4.33Å; W573-L580 HydrophobicContact CB-CD1 4.23Å; W573-A581 VanDerWaalsContact CA-O 3.24Å; W573-A581 WeakPolarHBondContact CA-O 3.33Å; W573-L582 HydrophobicContact CB-CD2 3.58Å; W573-P593 HydrophobicContact CH2-CB 3.46Å; W573-P593 VanDerWaalsContact CH2-CB 3.46Å; W573-P593 HydrophobicContact CZ3-CB 4.01Å; W573-L594 HydrophobicContact CD2-CB 4.28Å; W573-L594 HydrophobicContact CD2-CD1 3.76Å; W573-L594 HydrophobicContact CD2-CG 4.42Å; W573-L594 HydrophobicContact CE3-CB 3.93Å; W573-L594 HydrophobicContact CE3-CD1 4.26Å; W573-L594 HydrophobicContact CE3-CD2 4.45Å; W573-L594 HydrophobicContact CE3-CG 4.44Å; W573-L594 HydrophobicContact CG-CD1 3.9Å; W573-L594 HydrophobicContact CH2-CB 4.21Å; W573-L594 HydrophobicContact CZ2-CB 4.48Å; W573-L594 HydrophobicContact CZ2-CD1 4.49Å; W573-L594 HydrophobicContact CZ3-CB 3.91Å; W573-M597 HydrophobicContact CZ2-SD 3.93Å
574	M	77.8	Confident	66.4	Low	133 Å²	133	72 Å²	72	66%	0.655	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.3	124.4	176.9	-168.9	175.6	-131	0	0	108.3	A581	M574-A581 PolarHBondContact N-O 2.81Å; M574-A581 PolarHBondContact O-N 3.24Å
575	Q	78.6	Confident	68.1	Low	83 Å²	83	64.3 Å²	64.3	39%	0.388	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	116.6	172	-172.1	177	2.3	0	0	108.7	K603 I605	Q575-K603 PolarHBondContact NE2-O 3.47Å; Q575-I605 HydrophobicContact CG-CG2 4.43Å
576	T	76.9	Confident	70.1	Confident	94 Å²	94	59.1 Å²	59.1	58%	0.577	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.5	102.3	173.8	-53.6	0	0	0	0	108.4	D578 T579	T576-D578 PolarHBondContact O-N 3.36Å; T576-T579 PolarHBondContact N-O 3.03Å; T576-T579 PolarHBondContact O-N 3.08Å; T576-T579 VanDerWaalsContact O-N 3.14Å
577	G	78.8	Confident	72.1	Confident	63 Å²	63	54.4 Å²	54.4	65%	0.649	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	-122.5	-175.1	0	0	0	0	0	111.9	T579	G577-T579 VanDerWaalsContact C-N 3.34Å
578	D	82.6	Confident	73.8	Confident	81 Å²	81	54 Å²	54	43%	0.433	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	4	178.7	67.9	-12	0	0	0	113.5	T576 I605 T606 C607	T576-D578 PolarHBondContact O-N 3.36Å; D578-I605 CarbonylContact O-C 3.52Å; D578-I605 VanDerWaalsContact O-CA 3.26Å; D578-I605 WeakPolarHBondContact O-CA 3.24Å; D578-T606 HydrophobicContact CB-CG2 4.21Å; D578-T606 WeakPolarHBondContact CB-OG1 3.07Å; D578-T606 PolarHBondContact O-N 3.39Å; D578-T606 PolarHBondContact OD2-OG1 2.81Å; D578-C607 PolarHBondContact O-N 2.8Å; D578-C607 VanDerWaalsContact O-N 3.12Å
579	T	79.1	Confident	75.2	Confident	37 Å²	37	58.2 Å²	58.2	23%	0.227	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	123.1	-176.9	-58	0	0	0	0	111.4	T576 G577 C607 D609	T576-T579 PolarHBondContact N-O 3.03Å; T576-T579 PolarHBondContact O-N 3.08Å; T576-T579 VanDerWaalsContact O-N 3.14Å; G577-T579 VanDerWaalsContact C-N 3.34Å; T579-C607 CarbonylContact C-O 3.54Å; T579-C607 WeakPolarHBondContact CA-O 3.39Å; T579-C607 HydrophobicContact CG2-CB 4.17Å; T579-D609 HydrophobicContact CG2-CB 3.92Å
580	L	85.6	Confident	76.4	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	104.6	169.1	-179.9	66.3	0	0	0	109.1	W573 L582 I605 C607 I608 D609 L627	W573-L580 HydrophobicContact CB-CD1 4.23Å; L580-L582 HydrophobicContact CG-CD2 4.36Å; L580-I605 HydrophobicContact CB-CD1 4.18Å; L580-I605 HydrophobicContact CB-CG2 4.16Å; L580-I605 HydrophobicContact CD2-CD1 4.13Å; L580-C607 PolarHBondContact N-O 3.44Å; L580-I608 HydrophobicContact CB-CG1 4.25Å; L580-I608 HydrophobicContact CD2-CG1 4.38Å; L580-I608 CarbonylContact O-C 3.53Å; L580-I608 WeakPolarHBondContact O-CA 3.47Å; L580-D609 PolarHBondContact O-N 3.13Å; L580-L627 HydrophobicContact CD2-CD1 4.38Å
581	A	82.9	Confident	77.3	Confident	28 Å²	28	51.6 Å²	51.6	23%	0.231	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	125.6	176.1	0	0	0	0	0	110.4	W573 M574 D609	W573-A581 VanDerWaalsContact CA-O 3.24Å; W573-A581 WeakPolarHBondContact CA-O 3.33Å; M574-A581 PolarHBondContact N-O 2.81Å; M574-A581 PolarHBondContact O-N 3.24Å; A581-D609 HydrophobicContact CB-CB 4.29Å
582	L	84.5	Confident	77.2	Confident	2 Å²	2	56.2 Å²	56.2	1%	0.01	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	130.4	175.8	-62.4	175.2	0	0	0	109.6	W573 L580 L586 L594 I608 D609 L610 V613 L624	W573-L582 HydrophobicContact CB-CD2 3.58Å; L580-L582 HydrophobicContact CG-CD2 4.36Å; L582-L586 HydrophobicContact CB-CD1 4.38Å; L582-L586 HydrophobicContact CD1-CD1 4.36Å; L582-L586 HydrophobicContact CD1-CD2 4.34Å; L582-L594 HydrophobicContact CD2-CD2 3.66Å; L582-I608 HydrophobicContact CD1-CG2 3.87Å; L582-I608 HydrophobicContact CG-CG2 4.36Å; L582-D609 PolarHBondContact N-O 3.39Å; L582-L610 HydrophobicContact CB-CD2 4.27Å; L582-L610 HydrophobicContact CD1-CD2 3.72Å; L582-L610 HydrophobicContact CG-CD2 4.46Å; L582-V613 HydrophobicContact CB-CG2 3.67Å; L582-V613 VanDerWaalsContact O-CG2 3.32Å; L582-V613 WeakPolarHBondContact O-CG2 3.48Å; L582-L624 HydrophobicContact CD1-CD2 3.67Å
583	S	77.6	Confident	77.4	Confident	23 Å²	23	57.1 Å²	57.1	16%	0.161	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	143.4	176.8	37.8	0	0	0	0	111.6	L571 S572	L571-S583 WeakPolarHBondContact CA-O 3.37Å; S572-S583 PolarHBondContact N-O 3.04Å; S572-S583 PolarHBondContact O-N 3.29Å; S572-S583 PolarHBondContact O-OG 3Å; S572-S583 PolarHBondContact OG-O 2.93Å; S572-S583 PolarHBondContact OG-OG 3.44Å
584	G	75.2	Confident	77.3	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.01	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	105.6	-146.2	179.5	0	0	0	0	0	114.3	E569 R612 S614	E569-G584 VanDerWaalsContact O-CA 3.23Å; E569-G584 WeakPolarHBondContact O-CA 3.31Å; G584-R612 PolarHBondContact N-O 3.35Å; G584-R612 VanDerWaalsContact N-O 3.16Å; G584-S614 PolarHBondContact O-N 2.98Å; G584-S614 PolarHBondContact O-OG 3.19Å
585	E	70.5	Confident	77.5	Confident	26 Å²	26	52.8 Å²	52.8	12%	0.121	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	129.9	175.5	-63.8	-166.8	173.5	0	0	110.1	K565 E569 D587 V590 S614 R615	K565-E585 WeakPolarHBondContact CE-OE1 3.34Å; K565-E585 IonicContact NZ-OE1 3.07Å; K565-E585 PolarHBondContact NZ-OE1 3.22Å; E569-E585 PolarHBondContact O-N 3.42Å; E585-D587 PolarHBondContact O-N 3.48Å; E585-V590 VanDerWaalsContact O-CG2 3.25Å; E585-V590 WeakPolarHBondContact O-CG2 3.19Å; E585-S614 WeakPolarHBondContact CG-OG 3.14Å; E585-R615 HydrophobicContact CB-CB 4.43Å; E585-R615 HydrophobicContact CG-CB 4.08Å; E585-R615 IonicContact OE2-NH1 2.93Å
586	L	75.3	Confident	77.7	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	82.6	165	-86	89.4	0	0	0	108.7	L571 L582 L591 V613 R615 V616 D617 L624	L571-L586 HydrophobicContact CD1-CD1 3.81Å; L571-L586 HydrophobicContact CD1-CG 3.94Å; L582-L586 HydrophobicContact CB-CD1 4.38Å; L582-L586 HydrophobicContact CD1-CD1 4.36Å; L582-L586 HydrophobicContact CD1-CD2 4.34Å; L586-L591 HydrophobicContact CB-CD2 4.35Å; L586-V613 HydrophobicContact CD1-CB 4.14Å; L586-V613 HydrophobicContact CD1-CG1 3.48Å; L586-V613 VanDerWaalsContact CD1-CG1 3.48Å; L586-V613 HydrophobicContact CD1-CG2 3.48Å; L586-V613 VanDerWaalsContact CD1-CG2 3.48Å; L586-R615 PolarHBondContact N-O 3.43Å; L586-V616 HydrophobicContact CB-CB 4.42Å; L586-V616 HydrophobicContact CB-CG1 4.23Å; L586-V616 HydrophobicContact CB-CG2 4.21Å; L586-V616 CarbonylContact O-C 3.54Å; L586-V616 WeakPolarHBondContact O-CA 3.36Å; L586-D617 PolarHBondContact O-N 2.98Å; L586-D617 VanDerWaalsContact O-OD1 3.1Å; L586-L624 HydrophobicContact CD2-CD1 3.88Å; L586-L624 HydrophobicContact CD2-CD2 3.97Å; L586-L624 HydrophobicContact CD2-CG 3.66Å
587	D	72.4	Confident	78	Confident	28 Å²	28	56 Å²	56	15%	0.15	31%	0.306	C	S	.	.			trans	-117.9	142.9	177.8	-167.1	-51.6	0	0	0	109.2	E585 D589 V590 L591 R615 D617	E585-D587 PolarHBondContact O-N 3.48Å; D587-D589 PolarHBondContact O-N 3.47Å; D587-D589 PolarHBondContact OD1-N 3.29Å; D587-V590 HydrophobicContact CB-CG2 4.16Å; D587-V590 WeakPolarHBondContact O-CG2 3.2Å; D587-V590 PolarHBondContact O-N 3Å; D587-L591 WeakPolarHBondContact O-CD2 3.19Å; D587-L591 WeakPolarHBondContact O-CG 3.36Å; D587-L591 PolarHBondContact O-N 3.17Å; D587-R615 IonicContact OD2-CZ 2.73Å; D587-R615 IonicContact OD2-NH1 3.58Å; D587-R615 PolarHBondContact OD2-NH1 2.88Å; D587-D617 WeakPolarHBondContact CA-OD1 3.38Å
588	Q	70.1	Confident	78.3	Confident	134 Å²	134	55.8 Å²	55.8	63%	0.626	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-46	-36.3	-177.2	-175.6	173.3	-2.7	0	0	113.3	V590 D617	Q588-V590 VanDerWaalsContact C-N 3.25Å; Q588-V590 PolarHBondContact O-N 2.92Å; Q588-D617 PolarHBondContact N-OD1 3.41Å; Q588-D617 PolarHBondContact N-OD2 3.38Å
589	D	70.2	Confident	78.3	Confident	146 Å²	146	57.6 Å²	57.6	78%	0.781	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-68.3	-19.8	-177.9	-68.3	-20.5	0	0	0	114.1	D587	D587-D589 PolarHBondContact O-N 3.47Å; D587-D589 PolarHBondContact OD1-N 3.29Å
590	V	75	Confident	78.4	Confident	55 Å²	55	61.4 Å²	61.4	33%	0.333	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-115.5	1.9	-175.7	-65.5	0	0	0	0	114	L571 E585 D587 Q588 P593	L571-V590 HydrophobicContact CB-CB 4.29Å; L571-V590 HydrophobicContact CB-CG2 4.07Å; E585-V590 VanDerWaalsContact O-CG2 3.25Å; E585-V590 WeakPolarHBondContact O-CG2 3.19Å; D587-V590 HydrophobicContact CB-CG2 4.16Å; D587-V590 WeakPolarHBondContact O-CG2 3.2Å; D587-V590 PolarHBondContact O-N 3Å; Q588-V590 VanDerWaalsContact C-N 3.25Å; Q588-V590 PolarHBondContact O-N 2.92Å; V590-P593 WeakPolarHBondContact O-CD 3.26Å
591	L	77.3	Confident	78.2	Confident	15 Å²	15	61.7 Å²	61.7	8%	0.079	31%	0.31	C	S	.	.			trans	-78.2	-23.2	-174.7	-54.3	-179	0	0	0	114.4	L571 L586 D587 P593 L594 W595 G619 L623	L571-L591 HydrophobicContact CD2-CD2 4.01Å; L586-L591 HydrophobicContact CB-CD2 4.35Å; D587-L591 WeakPolarHBondContact O-CD2 3.19Å; D587-L591 WeakPolarHBondContact O-CG 3.36Å; D587-L591 PolarHBondContact O-N 3.17Å; L591-P593 VanDerWaalsContact C-CD 3.46Å; L591-P593 VanDerWaalsContact C-N 3.34Å; L591-L594 PolarHBondContact O-N 2.87Å; L591-L594 VanDerWaalsContact O-N 3.1Å; L591-W595 WeakPolarHBondContact O-CB 3.32Å; L591-W595 PolarHBondContact O-N 2.91Å; L591-G619 VanDerWaalsContact CD1-O 3.25Å; L591-G619 WeakPolarHBondContact CD1-O 3.19Å; L591-L623 HydrophobicContact CB-CD2 4.25Å; L591-L623 HydrophobicContact CD1-CB 4.25Å; L591-L623 HydrophobicContact CD1-CD2 4.49Å; L591-L623 HydrophobicContact CD2-CD2 3.85Å; L591-L623 HydrophobicContact CG-CD2 4.38Å
592	L	74.3	Confident	78.2	Confident	112 Å²	112	60.4 Å²	60.4	59%	0.586	30%	0.298	S	S	*	.	H	α-helix	trans	-48.9	-47.9	-169.8	-120.6	103.4	0	0	0	113.5	L594 W595 E596	L592-L594 PolarHBondContact O-N 3.06Å; L592-W595 WeakPolarHBondContact O-CB 3.33Å; L592-W595 PolarHBondContact O-N 3.21Å; L592-E596 WeakPolarHBondContact O-CG 3.46Å; L592-E596 PolarHBondContact O-N 3.38Å
593	P	77.8	Confident	78.1	Confident	66 Å²	66	66.2 Å²	66.2	43%	0.429	32%	0.324	S	S	.	.	H	α-helix	trans	-60.2	-45	-179.5	-27.5	38.5	0	0	0	113.6	W573 V590 L591 M597	W573-P593 HydrophobicContact CH2-CB 3.46Å; W573-P593 VanDerWaalsContact CH2-CB 3.46Å; W573-P593 HydrophobicContact CZ3-CB 4.01Å; V590-P593 WeakPolarHBondContact O-CD 3.26Å; L591-P593 VanDerWaalsContact C-CD 3.46Å; L591-P593 VanDerWaalsContact C-N 3.34Å; P593-M597 WeakPolarHBondContact O-CG 3.1Å; P593-M597 PolarHBondContact O-N 3.49Å
594	L	80.8	Confident	78.3	Confident	0 Å²	0	67 Å²	67	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-72.5	-33.1	177.1	-177.7	55.8	0	0	0	111.4	L571 W573 L582 L591 L592 M597 R598 A601 L623 L627	L571-L594 HydrophobicContact CD2-CB 4.1Å; L571-L594 HydrophobicContact CD2-CD2 4.11Å; W573-L594 HydrophobicContact CD2-CB 4.28Å; W573-L594 HydrophobicContact CD2-CD1 3.76Å; W573-L594 HydrophobicContact CD2-CG 4.42Å; W573-L594 HydrophobicContact CE3-CB 3.93Å; W573-L594 HydrophobicContact CE3-CD1 4.26Å; W573-L594 HydrophobicContact CE3-CD2 4.45Å; W573-L594 HydrophobicContact CE3-CG 4.44Å; W573-L594 HydrophobicContact CG-CD1 3.9Å; W573-L594 HydrophobicContact CH2-CB 4.21Å; W573-L594 HydrophobicContact CZ2-CB 4.48Å; W573-L594 HydrophobicContact CZ2-CD1 4.49Å; W573-L594 HydrophobicContact CZ3-CB 3.91Å; L582-L594 HydrophobicContact CD2-CD2 3.66Å; L591-L594 PolarHBondContact O-N 2.87Å; L591-L594 VanDerWaalsContact O-N 3.1Å; L592-L594 PolarHBondContact O-N 3.06Å; L594-M597 CarbonylContact O-C 3.55Å; L594-M597 PolarHBondContact O-N 2.95Å; L594-R598 WeakPolarHBondContact O-CA 3.38Å; L594-R598 PolarHBondContact O-N 3.34Å; L594-A601 HydrophobicContact CD1-CB 3.95Å; L594-L623 HydrophobicContact CB-CD2 4.31Å; L594-L623 HydrophobicContact CD2-CD2 3.74Å; L594-L623 HydrophobicContact CG-CD2 4.03Å; L594-L627 HydrophobicContact CD2-CD1 4.31Å
595	W	82.7	Confident	78.6	Confident	114 Å²	114	67 Å²	67	43%	0.432	34%	0.335	S	S	.	.	H	α-helix	trans	-63.7	-42.2	175.1	179.9	-96.8	0	0	0	112.2	L591 L592 M597 R598 L623 H626	L591-W595 WeakPolarHBondContact O-CB 3.32Å; L591-W595 PolarHBondContact O-N 2.91Å; L592-W595 WeakPolarHBondContact O-CB 3.33Å; L592-W595 PolarHBondContact O-N 3.21Å; W595-M597 VanDerWaalsContact C-N 3.33Å; W595-R598 WeakPolarHBondContact O-CB 3.47Å; W595-R598 VanDerWaalsContact O-CD 3.3Å; W595-R598 WeakPolarHBondContact O-CD 3.48Å; W595-R598 VanDerWaalsContact O-CG 3.24Å; W595-R598 WeakPolarHBondContact O-CG 3.17Å; W595-R598 PolarHBondContact O-NH1 3.49Å; W595-L623 HydrophobicContact CE3-CD1 3.69Å; W595-L623 HydrophobicContact CZ3-CD1 4.34Å; W595-H626 AromaticContact CH2-CD2 3.83Å; W595-H626 AromaticContact CH2-NE2 3.92Å; W595-H626 HydrophobicContact CZ3-CB 4.39Å; W595-H626 AromaticContact CZ3-CD2 3.58Å
596	E	81.6	Confident	79.1	Confident	144 Å²	144	68.1 Å²	68.1	67%	0.673	34%	0.344	S	S	*	.	H	α-helix	trans	-65.5	-36.7	175.8	-73.8	-177.8	174.3	0	0	111.8	L592	L592-E596 WeakPolarHBondContact O-CG 3.46Å; L592-E596 PolarHBondContact O-N 3.38Å
597	M	83.1	Confident	79.1	Confident	101 Å²	101	68.7 Å²	68.7	50%	0.498	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	5.7	-178.8	-63.5	-169.5	69.8	0	0	114.9	W573 P593 L594 W595 E599 E600 A601	W573-M597 HydrophobicContact CZ2-SD 3.93Å; P593-M597 WeakPolarHBondContact O-CG 3.1Å; P593-M597 PolarHBondContact O-N 3.49Å; L594-M597 CarbonylContact O-C 3.55Å; L594-M597 PolarHBondContact O-N 2.95Å; W595-M597 VanDerWaalsContact C-N 3.33Å; M597-E599 VanDerWaalsContact C-N 3.28Å; M597-E599 PolarHBondContact O-N 3.45Å; M597-E599 VanDerWaalsContact O-N 3.11Å; M597-E600 PolarHBondContact O-N 2.63Å; M597-E600 VanDerWaalsContact O-N 3.1Å; M597-A601 WeakPolarHBondContact O-CB 3.3Å; M597-A601 PolarHBondContact O-N 2.66Å
598	R	85.3	Confident	79.6	Confident	58 Å²	58	67.3 Å²	67.3	22%	0.219	34%	0.341	C	S	.	.	H	α-helix	trans	-55.2	-33.9	-169.1	69.3	-174	-179.3	-83.8	-8.7	115.4	L594 W595 V602 H626 L627 L630	L594-R598 WeakPolarHBondContact O-CA 3.38Å; L594-R598 PolarHBondContact O-N 3.34Å; W595-R598 WeakPolarHBondContact O-CB 3.47Å; W595-R598 VanDerWaalsContact O-CD 3.3Å; W595-R598 WeakPolarHBondContact O-CD 3.48Å; W595-R598 VanDerWaalsContact O-CG 3.24Å; W595-R598 WeakPolarHBondContact O-CG 3.17Å; W595-R598 PolarHBondContact O-NH1 3.49Å; R598-V602 WeakPolarHBondContact O-CB 3.25Å; R598-V602 WeakPolarHBondContact O-CG2 3.45Å; R598-V602 PolarHBondContact O-N 2.98Å; R598-H626 WeakPolarHBondContact CD-NE2 3.4Å; R598-L627 HydrophobicContact CB-CD2 3.84Å; R598-L630 HydrophobicContact CB-CD1 4.12Å; R598-L630 HydrophobicContact CG-CD1 3.85Å
599	E	83	Confident	80	Confident	120 Å²	120	62.2 Å²	62.2	56%	0.561	32%	0.318	S	S	*	.	H	α-helix	trans	-73.5	-37.9	-178.8	-71.4	-177.3	-168.3	0	0	111.8	M597 L630	M597-E599 VanDerWaalsContact C-N 3.28Å; M597-E599 PolarHBondContact O-N 3.45Å; M597-E599 VanDerWaalsContact O-N 3.11Å; E599-L630 HydrophobicContact CG-CD2 4.23Å
600	E	81.8	Confident	80.3	Confident	116 Å²	116	57.2 Å²	57.2	54%	0.542	29%	0.291	S	S	.	.	H	α-helix	trans	-75.8	-41.7	177.4	-161.6	64.6	-153.4	0	0	110.7	M597 V602 K603	M597-E600 PolarHBondContact O-N 2.63Å; M597-E600 VanDerWaalsContact O-N 3.1Å; E600-V602 PolarHBondContact O-N 2.88Å; E600-K603 WeakPolarHBondContact O-CB 3.48Å; E600-K603 PolarHBondContact O-N 3.39Å; E600-K603 IonicContact OE1-NZ 3.99Å
601	A	81.6	Confident	80	Confident	7 Å²	7	58.7 Å²	58.7	6%	0.058	30%	0.304	C	S	.	.	H	α-helix	trans	-63.2	-23.2	-179.2	0	0	0	0	0	113.8	L594 M597 I605	L594-A601 HydrophobicContact CD1-CB 3.95Å; M597-A601 WeakPolarHBondContact O-CB 3.3Å; M597-A601 PolarHBondContact O-N 2.66Å; A601-I605 WeakPolarHBondContact O-CG2 3.16Å
602	V	82.6	Confident	79.6	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-6.2	-177.3	176.3	0	0	0	0	112.7	R598 E600 G604 I605 L627 L630 A631 Q634	R598-V602 WeakPolarHBondContact O-CB 3.25Å; R598-V602 WeakPolarHBondContact O-CG2 3.45Å; R598-V602 PolarHBondContact O-N 2.98Å; E600-V602 PolarHBondContact O-N 2.88Å; V602-G604 PolarHBondContact O-N 2.8Å; V602-G604 VanDerWaalsContact O-N 3.08Å; V602-I605 HydrophobicContact CB-CD1 4.22Å; V602-I605 HydrophobicContact CG1-CD1 4.03Å; V602-I605 HydrophobicContact CG1-CG1 4.09Å; V602-I605 HydrophobicContact CG2-CD1 4.13Å; V602-I605 WeakPolarHBondContact O-CG1 3.43Å; V602-I605 PolarHBondContact O-N 3.44Å; V602-L627 HydrophobicContact CG2-CB 3.99Å; V602-L627 HydrophobicContact CG2-CD2 3.34Å; V602-L627 HydrophobicContact CG2-CG 4.23Å; V602-L630 HydrophobicContact CB-CB 4.49Å; V602-L630 HydrophobicContact CG1-CB 4.03Å; V602-L630 HydrophobicContact CG2-CB 4.42Å; V602-A631 HydrophobicContact CG1-CB 3.4Å; V602-A631 VanDerWaalsContact CG1-N 3.29Å; V602-Q634 PolarHBondContact O-OE1 3.2Å
603	K	82.6	Confident	79.7	Confident	124 Å²	124	62.5 Å²	62.5	54%	0.539	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	114.3	-174.9	-162.1	176.8	-176.6	177.2	0	111.3	Q575 E600 I605	Q575-K603 PolarHBondContact NE2-O 3.47Å; E600-K603 WeakPolarHBondContact O-CB 3.48Å; E600-K603 PolarHBondContact O-N 3.39Å; E600-K603 IonicContact OE1-NZ 3.99Å; K603-I605 VanDerWaalsContact C-N 3.32Å; K603-I605 PolarHBondContact O-N 3.02Å
604	G	81.4	Confident	79	Confident	40 Å²	40	63.3 Å²	63.3	41%	0.412	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.7	9.3	177	0	0	0	0	0	115.4	V602 N636	V602-G604 PolarHBondContact O-N 2.8Å; V602-G604 VanDerWaalsContact O-N 3.08Å; G604-N636 VanDerWaalsContact CA-ND2 3.31Å; G604-N636 WeakPolarHBondContact CA-ND2 3.29Å; G604-N636 PolarHBondContact N-ND2 3.29Å
605	I	82.1	Confident	78	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	34%	0.341	C	S	.	.			trans	-79.9	137.2	179.1	74.8	173.8	0	0	0	111.2	Q575 D578 L580 A601 V602 K603 I608 A631 N636 V638	Q575-I605 HydrophobicContact CG-CG2 4.43Å; D578-I605 CarbonylContact O-C 3.52Å; D578-I605 VanDerWaalsContact O-CA 3.26Å; D578-I605 WeakPolarHBondContact O-CA 3.24Å; L580-I605 HydrophobicContact CB-CD1 4.18Å; L580-I605 HydrophobicContact CB-CG2 4.16Å; L580-I605 HydrophobicContact CD2-CD1 4.13Å; A601-I605 WeakPolarHBondContact O-CG2 3.16Å; V602-I605 HydrophobicContact CB-CD1 4.22Å; V602-I605 HydrophobicContact CG1-CD1 4.03Å; V602-I605 HydrophobicContact CG1-CG1 4.09Å; V602-I605 HydrophobicContact CG2-CD1 4.13Å; V602-I605 WeakPolarHBondContact O-CG1 3.43Å; V602-I605 PolarHBondContact O-N 3.44Å; K603-I605 VanDerWaalsContact C-N 3.32Å; K603-I605 PolarHBondContact O-N 3.02Å; I605-I608 HydrophobicContact CD1-CD1 4.14Å; I605-I608 HydrophobicContact CD1-CG1 3.89Å; I605-A631 HydrophobicContact CG1-CB 4.29Å; I605-N636 PolarHBondContact N-ND2 3.28Å; I605-N636 WeakPolarHBondContact O-CB 3.36Å; I605-N636 PolarHBondContact O-ND2 3.15Å; I605-V638 HydrophobicContact CD1-CG2 4.34Å; I605-V638 HydrophobicContact CG1-CG2 3.95Å
606	T	79.5	Confident	77.4	Confident	50 Å²	50	66.4 Å²	66.4	31%	0.307	34%	0.337	S	S	.	.	S	Bend	trans	-116.9	-11.6	171.1	63.2	0	0	0	0	111.5	D578 V638 T639	D578-T606 HydrophobicContact CB-CG2 4.21Å; D578-T606 WeakPolarHBondContact CB-OG1 3.07Å; D578-T606 PolarHBondContact O-N 3.39Å; D578-T606 PolarHBondContact OD2-OG1 2.81Å; T606-V638 CarbonylContact O-C 3.49Å; T606-V638 VanDerWaalsContact O-CA 3.26Å; T606-V638 WeakPolarHBondContact O-CA 3.43Å; T606-T639 PolarHBondContact O-N 2.97Å; T606-T639 PolarHBondContact O-OG1 3.06Å
607	C	76.6	Confident	76.7	Confident	12 Å²	12	61.3 Å²	61.3	8%	0.081	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	138.7	-178.4	-174.5	0	0	0	0	110.8	D578 T579 L580 T639	D578-C607 PolarHBondContact O-N 2.8Å; D578-C607 VanDerWaalsContact O-N 3.12Å; T579-C607 CarbonylContact C-O 3.54Å; T579-C607 WeakPolarHBondContact CA-O 3.39Å; T579-C607 HydrophobicContact CG2-CB 4.17Å; L580-C607 PolarHBondContact N-O 3.44Å; C607-T639 CarbonylContact C-O 3.58Å; C607-T639 VanDerWaalsContact CA-O 3.3Å; C607-T639 WeakPolarHBondContact CA-O 3.48Å
608	I	83	Confident	75.5	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	117.6	165.6	-64.1	167.7	0	0	0	107.6	L580 L582 I605 L610 L624 L627 I628 V638 T639 L640 Q641	L580-I608 HydrophobicContact CB-CG1 4.25Å; L580-I608 HydrophobicContact CD2-CG1 4.38Å; L580-I608 CarbonylContact O-C 3.53Å; L580-I608 WeakPolarHBondContact O-CA 3.47Å; L582-I608 HydrophobicContact CD1-CG2 3.87Å; L582-I608 HydrophobicContact CG-CG2 4.36Å; I605-I608 HydrophobicContact CD1-CD1 4.14Å; I605-I608 HydrophobicContact CD1-CG1 3.89Å; I608-L610 HydrophobicContact CG2-CD2 3.86Å; I608-L610 HydrophobicContact CG2-CG 4.23Å; I608-L624 HydrophobicContact CG2-CD2 4.3Å; I608-L627 HydrophobicContact CD1-CB 4.3Å; I608-I628 HydrophobicContact CD1-CG1 4.18Å; I608-V638 HydrophobicContact CB-CG1 4.3Å; I608-V638 HydrophobicContact CD1-CG1 3.74Å; I608-V638 HydrophobicContact CG1-CG1 3.66Å; I608-T639 PolarHBondContact N-O 2.97Å; I608-L640 HydrophobicContact CB-CD2 3.86Å; I608-L640 HydrophobicContact CG2-CD2 4.12Å; I608-Q641 PolarHBondContact O-N 3.24Å
609	D	78.3	Confident	74.8	Confident	27 Å²	27	57.8 Å²	57.8	14%	0.144	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	116.9	176.9	178	11.8	0	0	0	109.7	T579 L580 A581 L582 S611	T579-D609 HydrophobicContact CG2-CB 3.92Å; L580-D609 PolarHBondContact O-N 3.13Å; A581-D609 HydrophobicContact CB-CB 4.29Å; L582-D609 PolarHBondContact N-O 3.39Å; D609-S611 VanDerWaalsContact CG-OG 3.29Å; D609-S611 WeakPolarHBondContact OD1-CB 3.11Å; D609-S611 PolarHBondContact OD1-N 3.29Å; D609-S611 PolarHBondContact OD1-OG 3.48Å; D609-S611 PolarHBondContact OD2-OG 3.38Å
610	L	75.9	Confident	74.4	Confident	40 Å²	40	52.1 Å²	52.1	21%	0.209	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	7	178.2	-59.6	178.2	0	0	0	112.6	L582 I608 R612 V613 L624 L640	L582-L610 HydrophobicContact CB-CD2 4.27Å; L582-L610 HydrophobicContact CD1-CD2 3.72Å; L582-L610 HydrophobicContact CG-CD2 4.46Å; I608-L610 HydrophobicContact CG2-CD2 3.86Å; I608-L610 HydrophobicContact CG2-CG 4.23Å; L610-R612 PolarHBondContact O-N 3.41Å; L610-R612 VanDerWaalsContact O-N 3.09Å; L610-V613 HydrophobicContact CB-CB 4.4Å; L610-V613 HydrophobicContact CB-CG2 4.19Å; L610-V613 HydrophobicContact CD2-CG2 3.81Å; L610-V613 WeakPolarHBondContact O-CB 3.24Å; L610-V613 PolarHBondContact O-N 2.88Å; L610-L624 HydrophobicContact CD1-CD1 4.17Å; L610-L624 HydrophobicContact CD2-CD1 4.3Å; L610-L624 HydrophobicContact CD2-CD2 3.8Å; L610-L640 HydrophobicContact CD1-CD2 3.89Å; L610-L640 HydrophobicContact CG-CD2 4.32Å
611	S	67.9	Low	73.8	Confident	87 Å²	87	50.1 Å²	50.1	61%	0.608	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.2	-26	-174.4	61.9	0	0	0	0	113.7	D609	D609-S611 VanDerWaalsContact CG-OG 3.29Å; D609-S611 WeakPolarHBondContact OD1-CB 3.11Å; D609-S611 PolarHBondContact OD1-N 3.29Å; D609-S611 PolarHBondContact OD1-OG 3.48Å; D609-S611 PolarHBondContact OD2-OG 3.38Å
612	R	70.9	Confident	73.2	Confident	180 Å²	180	52.5 Å²	52.5	68%	0.679	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.9	7	177.8	-59.1	-173.3	-174.3	-172.9	2.2	113.5	G584 L610 S614	G584-R612 PolarHBondContact N-O 3.35Å; G584-R612 VanDerWaalsContact N-O 3.16Å; L610-R612 PolarHBondContact O-N 3.41Å; L610-R612 VanDerWaalsContact O-N 3.09Å; R612-S614 PolarHBondContact O-N 2.9Å
613	V	76.1	Confident	73	Confident	26 Å²	26	52.6 Å²	52.6	16%	0.158	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	116.9	172.6	176.2	0	0	0	0	108.8	L582 L586 L610 R615 V616	L582-V613 HydrophobicContact CB-CG2 3.67Å; L582-V613 VanDerWaalsContact O-CG2 3.32Å; L582-V613 WeakPolarHBondContact O-CG2 3.48Å; L586-V613 HydrophobicContact CD1-CB 4.14Å; L586-V613 HydrophobicContact CD1-CG1 3.48Å; L586-V613 VanDerWaalsContact CD1-CG1 3.48Å; L586-V613 HydrophobicContact CD1-CG2 3.48Å; L586-V613 VanDerWaalsContact CD1-CG2 3.48Å; L610-V613 HydrophobicContact CB-CB 4.4Å; L610-V613 HydrophobicContact CB-CG2 4.19Å; L610-V613 HydrophobicContact CD2-CG2 3.81Å; L610-V613 WeakPolarHBondContact O-CB 3.24Å; L610-V613 PolarHBondContact O-N 2.88Å; V613-R615 WeakPolarHBondContact CG1-O 3.41Å; V613-V616 HydrophobicContact CG1-CG2 3.55Å
614	S	62.8	Low	72.9	Confident	84 Å²	84	47.2 Å²	47.2	59%	0.587	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	-25.5	-178.1	62.8	0	0	0	0	113.3	G584 E585 R612	G584-S614 PolarHBondContact O-N 2.98Å; G584-S614 PolarHBondContact O-OG 3.19Å; E585-S614 WeakPolarHBondContact CG-OG 3.14Å; R612-S614 PolarHBondContact O-N 2.9Å
615	R	59.7	Low	72.7	Confident	122 Å²	122	50.6 Å²	50.6	46%	0.46	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	146.5	-177.5	-171.8	175.8	174.9	-142	-5.5	111.1	E585 L586 D587 V613	E585-R615 HydrophobicContact CB-CB 4.43Å; E585-R615 HydrophobicContact CG-CB 4.08Å; E585-R615 IonicContact OE2-NH1 2.93Å; L586-R615 PolarHBondContact N-O 3.43Å; D587-R615 IonicContact OD2-CZ 2.73Å; D587-R615 IonicContact OD2-NH1 3.58Å; D587-R615 PolarHBondContact OD2-NH1 2.88Å; V613-R615 WeakPolarHBondContact CG1-O 3.41Å
616	V	70.1	Confident	72.5	Confident	57 Å²	57	53.3 Å²	53.3	35%	0.345	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	128.9	173.2	-174.5	0	0	0	0	108.7	L586 V613 L621 L624	L586-V616 HydrophobicContact CB-CB 4.42Å; L586-V616 HydrophobicContact CB-CG1 4.23Å; L586-V616 HydrophobicContact CB-CG2 4.21Å; L586-V616 CarbonylContact O-C 3.54Å; L586-V616 WeakPolarHBondContact O-CA 3.36Å; V613-V616 HydrophobicContact CG1-CG2 3.55Å; V616-L621 HydrophobicContact CG1-CB 4.27Å; V616-L621 HydrophobicContact CG1-CD1 4.47Å; V616-L624 HydrophobicContact CG1-CD1 4.26Å
617	D	67.2	Low	72.6	Confident	37 Å²	37	51 Å²	51	20%	0.198	28%	0.278	C	S	.	.			trans	-102.6	-170.7	171.1	80.4	-16.5	0	0	0	111.9	L586 D587 Q588 G619 G620 L621	L586-D617 PolarHBondContact O-N 2.98Å; L586-D617 VanDerWaalsContact O-OD1 3.1Å; D587-D617 WeakPolarHBondContact CA-OD1 3.38Å; Q588-D617 PolarHBondContact N-OD1 3.41Å; Q588-D617 PolarHBondContact N-OD2 3.38Å; D617-G619 PolarHBondContact O-N 3Å; D617-G619 PolarHBondContact OD1-N 3.37Å; D617-G620 PolarHBondContact O-N 2.86Å; D617-G620 PolarHBondContact OD1-N 3.11Å; D617-L621 WeakPolarHBondContact O-CB 3.32Å; D617-L621 PolarHBondContact O-N 3.09Å
618	T	57.7	Low	72.7	Confident	70 Å²	70	52.6 Å²	52.6	43%	0.429	29%	0.285	S	S	.	.	H	α-helix	trans	-63	-39.5	179.3	-42.2	0	0	0	0	112.4	A622	T618-A622 WeakPolarHBondContact O-CB 3.5Å; T618-A622 PolarHBondContact O-N 3.35Å
619	G	69.9	Low	72.4	Confident	15 Å²	15	55.7 Å²	55.7	16%	0.155	30%	0.302	C	S	.	.	H	α-helix	trans	-65.9	-44.1	176	0	0	0	0	0	111.8	L591 D617 A622 L623	L591-G619 VanDerWaalsContact CD1-O 3.25Å; L591-G619 WeakPolarHBondContact CD1-O 3.19Å; D617-G619 PolarHBondContact O-N 3Å; D617-G619 PolarHBondContact OD1-N 3.37Å; G619-A622 WeakPolarHBondContact O-CB 3.13Å; G619-A622 PolarHBondContact O-N 3.27Å; G619-L623 PolarHBondContact O-N 3.19Å
620	G	74.5	Confident	72.6	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-62.2	-43	177.5	0	0	0	0	0	112.5	D617 L623 L624	D617-G620 PolarHBondContact O-N 2.86Å; D617-G620 PolarHBondContact OD1-N 3.11Å; G620-L623 PolarHBondContact O-N 3.22Å; G620-L624 WeakPolarHBondContact O-CG 3.47Å; G620-L624 PolarHBondContact O-N 2.78Å
621	L	69.6	Low	72.8	Confident	75 Å²	75	53.6 Å²	53.6	39%	0.393	29%	0.291	S	S	.	.	H	α-helix	trans	-63.8	-42.4	174.4	-161.6	89.7	0	0	0	111.5	V616 D617 L623 L624 L625	V616-L621 HydrophobicContact CG1-CB 4.27Å; V616-L621 HydrophobicContact CG1-CD1 4.47Å; D617-L621 WeakPolarHBondContact O-CB 3.32Å; D617-L621 PolarHBondContact O-N 3.09Å; L621-L623 VanDerWaalsContact C-N 3.34Å; L621-L624 PolarHBondContact O-N 2.99Å; L621-L625 HydrophobicContact CD2-CD1 4.47Å; L621-L625 WeakPolarHBondContact O-CG 3.44Å; L621-L625 PolarHBondContact O-N 2.97Å
622	A	68.5	Low	73.3	Confident	56 Å²	56	56.3 Å²	56.3	46%	0.463	29%	0.291	S	S	.	.	H	α-helix	trans	-63.1	-41	176.5	0	0	0	0	0	111.7	T618 G619 H626	T618-A622 WeakPolarHBondContact O-CB 3.5Å; T618-A622 PolarHBondContact O-N 3.35Å; G619-A622 WeakPolarHBondContact O-CB 3.13Å; G619-A622 PolarHBondContact O-N 3.27Å; A622-H626 VanDerWaalsContact O-CB 3.25Å; A622-H626 WeakPolarHBondContact O-CB 3.45Å; A622-H626 PolarHBondContact O-N 3.22Å
623	L	79.3	Confident	73.6	Confident	2 Å²	2	55.2 Å²	55.2	1%	0.01	29%	0.291	C	S	.	.	H	α-helix	trans	-61	-47.4	172.7	176.5	69.3	0	0	0	111	L591 L594 W595 G619 G620 L621 L625 H626 L627	L591-L623 HydrophobicContact CB-CD2 4.25Å; L591-L623 HydrophobicContact CD1-CB 4.25Å; L591-L623 HydrophobicContact CD1-CD2 4.49Å; L591-L623 HydrophobicContact CD2-CD2 3.85Å; L591-L623 HydrophobicContact CG-CD2 4.38Å; L594-L623 HydrophobicContact CB-CD2 4.31Å; L594-L623 HydrophobicContact CD2-CD2 3.74Å; L594-L623 HydrophobicContact CG-CD2 4.03Å; W595-L623 HydrophobicContact CE3-CD1 3.69Å; W595-L623 HydrophobicContact CZ3-CD1 4.34Å; G619-L623 PolarHBondContact O-N 3.19Å; G620-L623 PolarHBondContact O-N 3.22Å; L621-L623 VanDerWaalsContact C-N 3.34Å; L623-L625 PolarHBondContact O-N 3.11Å; L623-H626 CarbonylContact O-C 3.58Å; L623-H626 WeakPolarHBondContact O-CB 3.32Å; L623-H626 PolarHBondContact O-N 2.69Å; L623-H626 VanDerWaalsContact O-N 3.16Å; L623-L627 HydrophobicContact CD1-CD1 4.32Å; L623-L627 HydrophobicContact CD1-CD2 4.39Å; L623-L627 HydrophobicContact CD1-CG 4.16Å; L623-L627 HydrophobicContact CG-CD1 4.04Å; L623-L627 HydrophobicContact CG-CG 4.28Å; L623-L627 VanDerWaalsContact O-CG 3.28Å; L623-L627 WeakPolarHBondContact O-CG 3.41Å; L623-L627 PolarHBondContact O-N 3.26Å
624	L	80.2	Confident	73.8	Confident	12 Å²	12	58.1 Å²	58.1	6%	0.063	30%	0.303	C	S	.	.	H	α-helix	trans	-59.2	-47.6	178.5	-73.8	171.1	0	0	0	112.3	L582 L586 I608 L610 V616 G620 L621 H626 L627 I628	L582-L624 HydrophobicContact CD1-CD2 3.67Å; L586-L624 HydrophobicContact CD2-CD1 3.88Å; L586-L624 HydrophobicContact CD2-CD2 3.97Å; L586-L624 HydrophobicContact CD2-CG 3.66Å; I608-L624 HydrophobicContact CG2-CD2 4.3Å; L610-L624 HydrophobicContact CD1-CD1 4.17Å; L610-L624 HydrophobicContact CD2-CD1 4.3Å; L610-L624 HydrophobicContact CD2-CD2 3.8Å; V616-L624 HydrophobicContact CG1-CD1 4.26Å; G620-L624 WeakPolarHBondContact O-CG 3.47Å; G620-L624 PolarHBondContact O-N 2.78Å; L621-L624 PolarHBondContact O-N 2.99Å; L624-H626 VanDerWaalsContact C-N 3.26Å; L624-H626 PolarHBondContact O-N 3.35Å; L624-L627 PolarHBondContact O-N 3.06Å; L624-I628 VanDerWaalsContact O-CG1 3.27Å; L624-I628 WeakPolarHBondContact O-CG1 3.3Å; L624-I628 PolarHBondContact O-N 3.04Å
625	L	76	Confident	74.5	Confident	110 Å²	110	57.3 Å²	57.3	58%	0.576	31%	0.308	S	S	*	.	H	α-helix	trans	-60.6	-38.6	176.2	-71.6	171.6	0	0	0	111.7	L621 L623 I628 D629	L621-L625 HydrophobicContact CD2-CD1 4.47Å; L621-L625 WeakPolarHBondContact O-CG 3.44Å; L621-L625 PolarHBondContact O-N 2.97Å; L623-L625 PolarHBondContact O-N 3.11Å; L625-I628 PolarHBondContact O-N 3.27Å; L625-D629 WeakPolarHBondContact O-CB 3.42Å; L625-D629 PolarHBondContact O-N 3.33Å
626	H	77.7	Confident	75.4	Confident	58 Å²	58	53.5 Å²	53.5	27%	0.269	30%	0.297	S	S	.	.	H	α-helix	trans	-69.6	-39.5	177.7	-170.8	68.8	0	0	0	112.7	W595 R598 A622 L623 L624 I628 D629 L630	W595-H626 AromaticContact CH2-CD2 3.83Å; W595-H626 AromaticContact CH2-NE2 3.92Å; W595-H626 HydrophobicContact CZ3-CB 4.39Å; W595-H626 AromaticContact CZ3-CD2 3.58Å; R598-H626 WeakPolarHBondContact CD-NE2 3.4Å; A622-H626 VanDerWaalsContact O-CB 3.25Å; A622-H626 WeakPolarHBondContact O-CB 3.45Å; A622-H626 PolarHBondContact O-N 3.22Å; L623-H626 CarbonylContact O-C 3.58Å; L623-H626 WeakPolarHBondContact O-CB 3.32Å; L623-H626 PolarHBondContact O-N 2.69Å; L623-H626 VanDerWaalsContact O-N 3.16Å; L624-H626 VanDerWaalsContact C-N 3.26Å; L624-H626 PolarHBondContact O-N 3.35Å; H626-I628 VanDerWaalsContact C-N 3.35Å; H626-D629 PolarHBondContact O-N 2.91Å; H626-L630 WeakPolarHBondContact NE2-CD1 3.34Å; H626-L630 WeakPolarHBondContact O-CB 3.23Å; H626-L630 WeakPolarHBondContact O-CG 3.45Å; H626-L630 PolarHBondContact O-N 3.05Å
627	L	81.8	Confident	75.5	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-63.6	-40.9	173.7	-66.7	172.5	0	0	0	111	L580 L594 R598 V602 I608 L623 L624 L630 A631	L580-L627 HydrophobicContact CD2-CD1 4.38Å; L594-L627 HydrophobicContact CD2-CD1 4.31Å; R598-L627 HydrophobicContact CB-CD2 3.84Å; V602-L627 HydrophobicContact CG2-CB 3.99Å; V602-L627 HydrophobicContact CG2-CD2 3.34Å; V602-L627 HydrophobicContact CG2-CG 4.23Å; I608-L627 HydrophobicContact CD1-CB 4.3Å; L623-L627 HydrophobicContact CD1-CD1 4.32Å; L623-L627 HydrophobicContact CD1-CD2 4.39Å; L623-L627 HydrophobicContact CD1-CG 4.16Å; L623-L627 HydrophobicContact CG-CD1 4.04Å; L623-L627 HydrophobicContact CG-CG 4.28Å; L623-L627 VanDerWaalsContact O-CG 3.28Å; L623-L627 WeakPolarHBondContact O-CG 3.41Å; L623-L627 PolarHBondContact O-N 3.26Å; L624-L627 PolarHBondContact O-N 3.06Å; L627-L630 PolarHBondContact O-N 3.46Å; L627-A631 WeakPolarHBondContact O-CB 3.45Å; L627-A631 PolarHBondContact O-N 2.89Å
628	I	80.4	Confident	75.8	Confident	46 Å²	46	56.5 Å²	56.5	24%	0.236	31%	0.312	C	S	.	.	H	α-helix	trans	-64.2	-44	175.1	-66.8	165.1	0	0	0	111	I608 L624 L625 H626 A631 K632 V638 L640	I608-I628 HydrophobicContact CD1-CG1 4.18Å; L624-I628 VanDerWaalsContact O-CG1 3.27Å; L624-I628 WeakPolarHBondContact O-CG1 3.3Å; L624-I628 PolarHBondContact O-N 3.04Å; L625-I628 PolarHBondContact O-N 3.27Å; H626-I628 VanDerWaalsContact C-N 3.35Å; I628-A631 PolarHBondContact O-N 3.15Å; I628-K632 WeakPolarHBondContact O-CB 3.5Å; I628-K632 PolarHBondContact O-N 3.45Å; I628-V638 HydrophobicContact CG1-CG1 4.46Å; I628-L640 HydrophobicContact CD1-CD1 4.2Å; I628-L640 HydrophobicContact CD1-CD2 4.42Å; I628-L640 HydrophobicContact CD1-CG 4.44Å
629	D	75.3	Confident	76	Confident	66 Å²	66	57.4 Å²	57.4	35%	0.353	32%	0.317	S	S	.	.	H	α-helix	trans	-65	-41	176.9	-174.5	61.6	0	0	0	112.2	L625 H626 K632 K633	L625-D629 WeakPolarHBondContact O-CB 3.42Å; L625-D629 PolarHBondContact O-N 3.33Å; H626-D629 PolarHBondContact O-N 2.91Å; D629-K632 PolarHBondContact O-N 3.04Å; D629-K633 WeakPolarHBondContact O-CG 3.36Å; D629-K633 PolarHBondContact O-N 3.36Å; D629-K633 VanDerWaalsContact OD2-CE 3.23Å; D629-K633 WeakPolarHBondContact OD2-CE 3.27Å; D629-K633 IonicContact OD2-NZ 2.68Å; D629-K633 PolarHBondContact OD2-NZ 2.99Å
630	L	82.7	Confident	75.5	Confident	23 Å²	23	60.2 Å²	60.2	12%	0.12	33%	0.329	C	S	.	.	H	α-helix	trans	-59.3	-45.1	172.9	-88.8	159.7	0	0	0	111.7	R598 E599 V602 H626 L627 K632 K633 Q634	R598-L630 HydrophobicContact CB-CD1 4.12Å; R598-L630 HydrophobicContact CG-CD1 3.85Å; E599-L630 HydrophobicContact CG-CD2 4.23Å; V602-L630 HydrophobicContact CB-CB 4.49Å; V602-L630 HydrophobicContact CG1-CB 4.03Å; V602-L630 HydrophobicContact CG2-CB 4.42Å; H626-L630 WeakPolarHBondContact NE2-CD1 3.34Å; H626-L630 WeakPolarHBondContact O-CB 3.23Å; H626-L630 WeakPolarHBondContact O-CG 3.45Å; H626-L630 PolarHBondContact O-N 3.05Å; L627-L630 PolarHBondContact O-N 3.46Å; L630-K632 VanDerWaalsContact C-N 3.33Å; L630-K632 PolarHBondContact O-N 3.11Å; L630-K633 PolarHBondContact O-N 3.37Å; L630-Q634 WeakPolarHBondContact O-CG 3.39Å; L630-Q634 PolarHBondContact O-N 2.92Å; L630-Q634 VanDerWaalsContact O-N 3.14Å
631	A	80.9	Confident	74.3	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-65	-41.4	179.6	0	0	0	0	0	111.4	V602 I605 L627 I628 K633 Q634 G635 N636 V638	V602-A631 HydrophobicContact CG1-CB 3.4Å; V602-A631 VanDerWaalsContact CG1-N 3.29Å; I605-A631 HydrophobicContact CG1-CB 4.29Å; L627-A631 WeakPolarHBondContact O-CB 3.45Å; L627-A631 PolarHBondContact O-N 2.89Å; I628-A631 PolarHBondContact O-N 3.15Å; A631-K633 VanDerWaalsContact C-N 3.34Å; A631-K633 PolarHBondContact O-N 2.86Å; A631-Q634 CarbonylContact O-C 3.56Å; A631-Q634 WeakPolarHBondContact O-CA 3.4Å; A631-Q634 WeakPolarHBondContact O-CB 3.47Å; A631-Q634 PolarHBondContact O-N 3.39Å; A631-G635 PolarHBondContact O-N 2.9Å; A631-N636 CarbonylContact C-O 3.36Å; A631-N636 HydrophobicContact CB-CB 4.49Å; A631-N636 PolarHBondContact O-N 2.89Å; A631-V638 HydrophobicContact CB-CB 4.38Å; A631-V638 HydrophobicContact CB-CG2 3.19Å
632	K	77.2	Confident	73.6	Confident	143 Å²	143	64.9 Å²	64.9	62%	0.622	36%	0.36	S	S	*	.	H	α-helix	trans	-62.7	-40.2	176.5	-168.8	176.3	-177.5	178.3	0	112	I628 D629 L630 Q634 G635 N636	I628-K632 WeakPolarHBondContact O-CB 3.5Å; I628-K632 PolarHBondContact O-N 3.45Å; D629-K632 PolarHBondContact O-N 3.04Å; L630-K632 VanDerWaalsContact C-N 3.33Å; L630-K632 PolarHBondContact O-N 3.11Å; K632-Q634 PolarHBondContact O-N 3.4Å; K632-G635 PolarHBondContact O-N 3.48Å; K632-N636 WeakPolarHBondContact CA-O 3.25Å; K632-N636 PolarHBondContact N-O 2.89Å
633	K	77.8	Confident	72.8	Confident	157 Å²	157	66.4 Å²	66.4	68%	0.683	36%	0.358	S	S	*	.	H	α-helix	trans	-64	-28.2	173.2	-77.9	169.5	175.4	157.9	0	113	D629 L630 A631 G635	D629-K633 WeakPolarHBondContact O-CG 3.36Å; D629-K633 PolarHBondContact O-N 3.36Å; D629-K633 VanDerWaalsContact OD2-CE 3.23Å; D629-K633 WeakPolarHBondContact OD2-CE 3.27Å; D629-K633 IonicContact OD2-NZ 2.68Å; D629-K633 PolarHBondContact OD2-NZ 2.99Å; L630-K633 PolarHBondContact O-N 3.37Å; A631-K633 VanDerWaalsContact C-N 3.34Å; A631-K633 PolarHBondContact O-N 2.86Å; K633-G635 VanDerWaalsContact C-N 3.28Å
634	Q	81.2	Confident	71.9	Confident	87 Å²	87	70.5 Å²	70.5	41%	0.407	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-1.7	173.2	-66.7	-177.2	6.2	0	0	113.7	V602 L630 A631 K632	V602-Q634 PolarHBondContact O-OE1 3.2Å; L630-Q634 WeakPolarHBondContact O-CG 3.39Å; L630-Q634 PolarHBondContact O-N 2.92Å; L630-Q634 VanDerWaalsContact O-N 3.14Å; A631-Q634 CarbonylContact O-C 3.56Å; A631-Q634 WeakPolarHBondContact O-CA 3.4Å; A631-Q634 WeakPolarHBondContact O-CB 3.47Å; A631-Q634 PolarHBondContact O-N 3.39Å; K632-Q634 PolarHBondContact O-N 3.4Å
635	G	76.8	Confident	71.1	Confident	67 Å²	67	74 Å²	74	69%	0.691	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.9	5.8	-179.7	0	0	0	0	0	114.8	A631 K632 K633	A631-G635 PolarHBondContact O-N 2.9Å; K632-G635 PolarHBondContact O-N 3.48Å; K633-G635 VanDerWaalsContact C-N 3.28Å
636	N	78.6	Confident	70.5	Confident	43 Å²	43	73.1 Å²	73.1	23%	0.23	40%	0.397	C	S	.	.			trans	-96.9	134.7	178.5	-62.7	-18.8	0	0	0	111	G604 I605 A631 K632	G604-N636 VanDerWaalsContact CA-ND2 3.31Å; G604-N636 WeakPolarHBondContact CA-ND2 3.29Å; G604-N636 PolarHBondContact N-ND2 3.29Å; I605-N636 PolarHBondContact N-ND2 3.28Å; I605-N636 WeakPolarHBondContact O-CB 3.36Å; I605-N636 PolarHBondContact O-ND2 3.15Å; A631-N636 CarbonylContact C-O 3.36Å; A631-N636 HydrophobicContact CB-CB 4.49Å; A631-N636 PolarHBondContact O-N 2.89Å; K632-N636 WeakPolarHBondContact CA-O 3.25Å; K632-N636 PolarHBondContact N-O 2.89Å
637	N	71.4	Confident	69.7	Low	136 Å²	136	73.5 Å²	73.5	73%	0.727	41%	0.407	S	S	*	.			trans	-95.4	109.5	173.1	-150.6	28.4	0	0	0	108.4
638	V	75	Confident	68.9	Low	21 Å²	21	76.1 Å²	76.1	13%	0.127	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-90.9	125.7	-174.1	177.7	0	0	0	0	111.2	I605 T606 I608 I628 A631	I605-V638 HydrophobicContact CD1-CG2 4.34Å; I605-V638 HydrophobicContact CG1-CG2 3.95Å; T606-V638 CarbonylContact O-C 3.49Å; T606-V638 VanDerWaalsContact O-CA 3.26Å; T606-V638 WeakPolarHBondContact O-CA 3.43Å; I608-V638 HydrophobicContact CB-CG1 4.3Å; I608-V638 HydrophobicContact CD1-CG1 3.74Å; I608-V638 HydrophobicContact CG1-CG1 3.66Å; I628-V638 HydrophobicContact CG1-CG1 4.46Å; A631-V638 HydrophobicContact CB-CB 4.38Å; A631-V638 HydrophobicContact CB-CG2 3.19Å
639	T	60.5	Low	67.9	Low	88 Å²	88	79.8 Å²	79.8	54%	0.54	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	144.7	170.2	50.7	0	0	0	0	111	T606 C607 I608	T606-T639 PolarHBondContact O-N 2.97Å; T606-T639 PolarHBondContact O-OG1 3.06Å; C607-T639 CarbonylContact C-O 3.58Å; C607-T639 VanDerWaalsContact CA-O 3.3Å; C607-T639 WeakPolarHBondContact CA-O 3.48Å; I608-T639 PolarHBondContact N-O 2.97Å
640	L	60.5	Low	67	Low	75 Å²	75	79.6 Å²	79.6	39%	0.393	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	127.6	171.5	-65.3	168.4	0	0	0	108.1	I608 L610 I628 G642	I608-L640 HydrophobicContact CB-CD2 3.86Å; I608-L640 HydrophobicContact CG2-CD2 4.12Å; L610-L640 HydrophobicContact CD1-CD2 3.89Å; L610-L640 HydrophobicContact CG-CD2 4.32Å; I628-L640 HydrophobicContact CD1-CD1 4.2Å; I628-L640 HydrophobicContact CD1-CD2 4.42Å; I628-L640 HydrophobicContact CD1-CG 4.44Å; L640-G642 PolarHBondContact O-N 3.36Å
641	Q	49.6	Very low	65.9	Low	128 Å²	128	80.7 Å²	80.7	60%	0.598	48%	0.477	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.9	114.6	170.7	-99.5	-171.5	-3.4	0	0	109.8	I608	I608-Q641 PolarHBondContact O-N 3.24Å
642	G	53.3	Low	65	Low	44 Å²	44	86.1 Å²	86.1	45%	0.454	50%	0.502	S	S	.	.	S	Bend	trans	129.9	98.6	-166.8	0	0	0	0	0	108.3	L640 V644	L640-G642 PolarHBondContact O-N 3.36Å; G642-V644 PolarHBondContact O-N 3.37Å
643	E	53.4	Low	64.8	Low	88 Å²	88	82.3 Å²	82.3	41%	0.411	49%	0.485	S	S	.	.			trans	-69.4	103.9	-176.6	-94.6	-176.6	-178.7	0	0	109.5	H645 V658 W700	E643-H645 IonicContact OE2-NE2 3.89Å; E643-V658 HydrophobicContact CB-CB 3.86Å; E643-V658 HydrophobicContact CB-CG2 4.03Å; E643-V658 PolarHBondContact O-N 3.1Å; E643-W700 VanDerWaalsContact OE2-CD1 3.26Å; E643-W700 PolarHBondContact OE2-NE1 3.2Å
644	V	59.7	Low	64.7	Low	88 Å²	88	77.6 Å²	77.6	53%	0.533	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	104.5	169	-175	0	0	0	0	108.2	G642 V646 V655 I656	G642-V644 PolarHBondContact O-N 3.37Å; V644-V646 HydrophobicContact CG1-CG2 3.99Å; V644-V655 HydrophobicContact CG1-CG1 3.98Å; V644-I656 CarbonylContact C-O 3.6Å; V644-I656 VanDerWaalsContact CA-O 3.27Å; V644-I656 WeakPolarHBondContact CA-O 3.46Å
645	H	63	Low	64.6	Low	85 Å²	85	74.2 Å²	74.2	39%	0.394	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	123.2	172.4	-60.7	-87.6	0	0	0	109.5	E643 V655 I656 W700	E643-H645 IonicContact OE2-NE2 3.89Å; H645-V655 CarbonylContact O-C 3.6Å; H645-V655 WeakPolarHBondContact O-CA 3.38Å; H645-I656 HydrophobicContact CB-CB 4.16Å; H645-I656 PolarHBondContact N-O 3.48Å; H645-I656 PolarHBondContact O-N 3.37Å; H645-W700 AromaticContact CD2-CZ2 4Å
646	V	63.3	Low	64.6	Low	92 Å²	92	71.5 Å²	71.5	56%	0.558	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.9	122.4	174.9	-173.1	0	0	0	0	108.7	V644 F653 Q654 V655	V644-V646 HydrophobicContact CG1-CG2 3.99Å; V646-F653 HydrophobicContact CG1-CD1 4.22Å; V646-Q654 CarbonylContact C-O 3.5Å; V646-Q654 VanDerWaalsContact CA-O 3.31Å; V646-Q654 WeakPolarHBondContact CA-O 3.44Å; V646-V655 HydrophobicContact CG1-CG2 4.38Å; V646-V655 HydrophobicContact CG2-CG2 4.29Å
647	S	61.1	Low	64.7	Low	67 Å²	67	69.9 Å²	69.9	47%	0.469	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	144.8	171.3	62.9	0	0	0	0	110	F653 Q654	S647-F653 CarbonylContact O-C 3.57Å; S647-F653 WeakPolarHBondContact O-CA 3.31Å; S647-Q654 PolarHBondContact N-O 3.35Å; S647-Q654 PolarHBondContact O-N 3.47Å
648	G	64.9	Low	65	Low	54 Å²	54	64.1 Å²	64.1	56%	0.557	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	176.5	161.7	179.3	0	0	0	0	0	114.4	H652	G648-H652 WeakPolarHBondContact CA-O 3.32Å
649	D	60.3	Low	65	Low	124 Å²	124	64.1 Å²	64.1	66%	0.663	39%	0.387	S	S	*	.			trans	-110	24.7	-175.4	65.8	5.6	0	0	0	113.5	S651 H652	D649-S651 PolarHBondContact O-N 3.49Å; D649-S651 PolarHBondContact OD1-N 2.97Å; D649-S651 PolarHBondContact OD1-OG 2.98Å; D649-H652 PolarHBondContact N-O 2.77Å; D649-H652 PolarHBondContact OD1-N 3.26Å; D649-H652 VanDerWaalsContact OD1-N 3.1Å
650	G	55.5	Low	65.6	Low	62 Å²	62	67.6 Å²	67.6	64%	0.639	40%	0.397	S	S	*	.	S	Bend	trans	84	-17.1	-179.5	0	0	0	0	0	114.4
651	S	59.7	Low	66.3	Low	45 Å²	45	69.8 Å²	69.8	32%	0.315	41%	0.409	S	S	.	.	S	Bend	trans	-113.1	-38	175.5	69.8	0	0	0	0	112.9	D649 H688 A689	D649-S651 PolarHBondContact O-N 3.49Å; D649-S651 PolarHBondContact OD1-N 2.97Å; D649-S651 PolarHBondContact OD1-OG 2.98Å; S651-H688 WeakPolarHBondContact O-CB 3.25Å; S651-A689 PolarHBondContact O-N 3.07Å
652	H	62.7	Low	67.7	Low	114 Å²	114	64.4 Å²	64.4	53%	0.528	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	121.7	179.1	-66.5	73.9	0	0	0	109.6	G648 D649	G648-H652 WeakPolarHBondContact CA-O 3.32Å; D649-H652 PolarHBondContact N-O 2.77Å; D649-H652 PolarHBondContact OD1-N 3.26Å; D649-H652 VanDerWaalsContact OD1-N 3.1Å
653	F	73	Confident	68.9	Low	64 Å²	64	68.4 Å²	68.4	28%	0.281	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	142.2	175.2	-65.3	-85.4	0	0	0	110.3	V646 S647 I687 A689 V690 S691	V646-F653 HydrophobicContact CG1-CD1 4.22Å; S647-F653 CarbonylContact O-C 3.57Å; S647-F653 WeakPolarHBondContact O-CA 3.31Å; F653-I687 HydrophobicContact CD2-CG2 4.18Å; F653-A689 PolarHBondContact N-O 2.89Å; F653-V690 HydrophobicContact CB-CG2 4.23Å; F653-V690 CarbonylContact O-C 3.59Å; F653-V690 VanDerWaalsContact O-CA 3.27Å; F653-V690 WeakPolarHBondContact O-CA 3.42Å; F653-S691 PolarHBondContact O-N 3.4Å
654	Q	75.4	Confident	70.1	Confident	57 Å²	57	68 Å²	68	27%	0.266	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	125.2	167.2	-178.2	-179.1	-13.6	0	0	107.9	V646 S647 S691	V646-Q654 CarbonylContact C-O 3.5Å; V646-Q654 VanDerWaalsContact CA-O 3.31Å; V646-Q654 WeakPolarHBondContact CA-O 3.44Å; S647-Q654 PolarHBondContact N-O 3.35Å; S647-Q654 PolarHBondContact O-N 3.47Å; Q654-S691 CarbonylContact C-O 3.43Å; Q654-S691 WeakPolarHBondContact CA-O 3.31Å
655	V	78.6	Confident	71.1	Confident	16 Å²	16	66.3 Å²	66.3	10%	0.097	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	120	178.2	-179.6	0	0	0	0	108.3	V644 H645 V646 V674 V690 S691 I692 K693	V644-V655 HydrophobicContact CG1-CG1 3.98Å; H645-V655 CarbonylContact O-C 3.6Å; H645-V655 WeakPolarHBondContact O-CA 3.38Å; V646-V655 HydrophobicContact CG1-CG2 4.38Å; V646-V655 HydrophobicContact CG2-CG2 4.29Å; V655-V674 HydrophobicContact CG1-CG1 4.35Å; V655-V690 HydrophobicContact CB-CG2 4.48Å; V655-V690 HydrophobicContact CG2-CG2 3.72Å; V655-S691 PolarHBondContact N-O 2.86Å; V655-I692 WeakPolarHBondContact O-CA 3.37Å; V655-K693 PolarHBondContact O-N 3.42Å
656	I	78.1	Confident	71.8	Confident	11 Å²	11	65.7 Å²	65.7	6%	0.056	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	111.5	168.3	-58.3	175.4	0	0	0	107.2	V644 H645 V658 K693 Y695 W700	V644-I656 CarbonylContact C-O 3.6Å; V644-I656 VanDerWaalsContact CA-O 3.27Å; V644-I656 WeakPolarHBondContact CA-O 3.46Å; H645-I656 HydrophobicContact CB-CB 4.16Å; H645-I656 PolarHBondContact N-O 3.48Å; H645-I656 PolarHBondContact O-N 3.37Å; I656-V658 HydrophobicContact CG2-CG2 4.2Å; I656-K693 CarbonylContact C-O 3.49Å; I656-K693 VanDerWaalsContact CA-O 3.29Å; I656-K693 WeakPolarHBondContact CA-O 3.44Å; I656-K693 HydrophobicContact CG1-CB 4.37Å; I656-Y695 HydrophobicContact CG2-CD2 3.73Å; I656-Y695 HydrophobicContact CG2-CE2 3.74Å; I656-W700 HydrophobicContact CD1-CH2 3.89Å; I656-W700 HydrophobicContact CD1-CZ3 4.14Å; I656-W700 HydrophobicContact CG2-CE3 4.09Å; I656-W700 HydrophobicContact CG2-CH2 3.89Å; I656-W700 HydrophobicContact CG2-CZ2 4.42Å; I656-W700 HydrophobicContact CG2-CZ3 3.7Å
657	A	80.2	Confident	72.4	Confident	8 Å²	8	71.1 Å²	71.1	7%	0.066	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	127	176.4	0	0	0	0	0	110.3	F662 V674 K693 A694 Y695	A657-F662 HydrophobicContact CB-CE2 3.9Å; A657-F662 HydrophobicContact CB-CZ 3.85Å; A657-F662 WeakPolarHBondContact O-CE2 3.47Å; A657-V674 HydrophobicContact CB-CG2 4.08Å; A657-K693 PolarHBondContact N-O 2.89Å; A657-A694 CarbonylContact O-C 3.6Å; A657-A694 VanDerWaalsContact O-CA 3.27Å; A657-A694 WeakPolarHBondContact O-CA 3.42Å; A657-Y695 PolarHBondContact O-N 3.14Å
658	V	77.8	Confident	73.1	Confident	16 Å²	16	72.1 Å²	72.1	10%	0.097	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	122	179.2	-172.4	0	0	0	0	109.4	E643 I656 Y695 P697 W700	E643-V658 HydrophobicContact CB-CB 3.86Å; E643-V658 HydrophobicContact CB-CG2 4.03Å; E643-V658 PolarHBondContact O-N 3.1Å; I656-V658 HydrophobicContact CG2-CG2 4.2Å; V658-Y695 VanDerWaalsContact CA-O 3.3Å; V658-Y695 WeakPolarHBondContact CA-O 3.28Å; V658-P697 HydrophobicContact CG1-CG 4.48Å; V658-W700 HydrophobicContact CB-CG 4.46Å; V658-W700 HydrophobicContact CG1-CB 3.77Å; V658-W700 HydrophobicContact CG1-CG 3.98Å; V658-W700 HydrophobicContact CG2-CB 4.04Å; V658-W700 HydrophobicContact CG2-CD2 3.8Å; V658-W700 HydrophobicContact CG2-CE3 4.46Å; V658-W700 HydrophobicContact CG2-CG 3.58Å
659	G	75.1	Confident	73.6	Confident	21 Å²	21	74.7 Å²	74.7	22%	0.216	42%	0.416	C	S	.	.			trans	-169.5	151.4	-179.5	0	0	0	0	0	113.5	L661 F662 Y695	G659-L661 PolarHBondContact O-N 3.45Å; G659-F662 WeakPolarHBondContact O-CD2 3.49Å; G659-F662 PolarHBondContact O-N 3.4Å; G659-Y695 PolarHBondContact N-O 2.89Å
660	E	73.6	Confident	74.5	Confident	161 Å²	161	69.9 Å²	69.9	75%	0.752	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-65.6	-25.3	178.4	-68.1	-160.9	161.1	0	0	113	F662 D663 P697	E660-F662 PolarHBondContact O-N 3.41Å; E660-D663 WeakPolarHBondContact O-CB 3.37Å; E660-D663 PolarHBondContact O-N 2.86Å; E660-P697 HydrophobicContact CG-CG 3.95Å
661	L	74.1	Confident	75.5	Confident	121 Å²	121	71 Å²	71	63%	0.634	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-54.3	-26.6	176.3	-177.8	67.3	0	0	0	112.9	G659 D663 M665 T673	G659-L661 PolarHBondContact O-N 3.45Å; L661-D663 PolarHBondContact O-N 2.97Å; L661-M665 HydrophobicContact CD1-CE 4.08Å; L661-M665 HydrophobicContact CG-CE 3.94Å; L661-M665 WeakPolarHBondContact O-CE 3.29Å; L661-T673 HydrophobicContact CD2-CG2 4.21Å
662	F	79.6	Confident	76.2	Confident	15 Å²	15	74 Å²	74	7%	0.066	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-76.4	-7.5	179.6	-58.8	-54.6	0	0	0	113.6	A657 G659 E660 M665 K670 T673 V674 A694 Y695 T696	A657-F662 HydrophobicContact CB-CE2 3.9Å; A657-F662 HydrophobicContact CB-CZ 3.85Å; A657-F662 WeakPolarHBondContact O-CE2 3.47Å; G659-F662 WeakPolarHBondContact O-CD2 3.49Å; G659-F662 PolarHBondContact O-N 3.4Å; E660-F662 PolarHBondContact O-N 3.41Å; F662-M665 HydrophobicContact CD1-SD 4.45Å; F662-M665 PolarHBondContact O-N 3.37Å; F662-K670 HydrophobicContact CB-CD 4.06Å; F662-K670 HydrophobicContact CB-CG 4.13Å; F662-K670 HydrophobicContact CD1-CB 4.19Å; F662-K670 HydrophobicContact CD1-CG 4.06Å; F662-K670 HydrophobicContact CG-CG 4.42Å; F662-K670 WeakPolarHBondContact O-CE 3.38Å; F662-T673 HydrophobicContact CE1-CG2 4.42Å; F662-V674 HydrophobicContact CE1-CG2 3.9Å; F662-V674 HydrophobicContact CZ-CG2 3.77Å; F662-A694 HydrophobicContact CD1-CB 4.07Å; F662-A694 HydrophobicContact CD2-CB 4.21Å; F662-A694 HydrophobicContact CE1-CB 3.9Å; F662-A694 HydrophobicContact CE2-CB 4.04Å; F662-A694 HydrophobicContact CG-CB 4.22Å; F662-A694 HydrophobicContact CZ-CB 3.88Å; F662-Y695 WeakPolarHBondContact CD2-O 3.41Å; F662-T696 HydrophobicContact CB-CG2 4.17Å
663	D	77.1	Confident	76.7	Confident	127 Å²	127	70.9 Å²	70.9	68%	0.679	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	137.5	179.5	-163.7	26.7	0	0	0	111.4	E660 L661 M665 T696	E660-D663 WeakPolarHBondContact O-CB 3.37Å; E660-D663 PolarHBondContact O-N 2.86Å; L661-D663 PolarHBondContact O-N 2.97Å; D663-M665 PolarHBondContact O-N 2.82Å; D663-T696 HydrophobicContact CB-CG2 3.95Å
664	G	80.1	Confident	76.7	Confident	81 Å²	81	68.9 Å²	68.9	84%	0.835	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	-7	-174.6	0	0	0	0	0	116.7
665	M	80.6	Confident	76.6	Confident	52 Å²	52	70.8 Å²	70.8	26%	0.256	37%	0.374	S	S	.	.			trans	-77.8	138.5	178.4	-68.4	-168.1	-177.4	0	0	112.4	L661 F662 D663 K669 K670	L661-M665 HydrophobicContact CD1-CE 4.08Å; L661-M665 HydrophobicContact CG-CE 3.94Å; L661-M665 WeakPolarHBondContact O-CE 3.29Å; F662-M665 HydrophobicContact CD1-SD 4.45Å; F662-M665 PolarHBondContact O-N 3.37Å; D663-M665 PolarHBondContact O-N 2.82Å; M665-K669 HydrophobicContact CB-CB 4.27Å; M665-K669 HydrophobicContact CB-CG 4.47Å; M665-K669 HydrophobicContact CG-CG 4.36Å; M665-K669 HydrophobicContact SD-CG 4.16Å; M665-K670 HydrophobicContact CB-CG 3.66Å; M665-K670 WeakPolarHBondContact O-CE 3.49Å
666	S	77.8	Confident	76.3	Confident	72 Å²	72	72.2 Å²	72.2	50%	0.503	39%	0.392	S	S	.	.			trans	-63.2	154.7	169.2	77	0	0	0	0	110.8	V668 K669 K670	S666-V668 PolarHBondContact O-N 3.04Å; S666-K669 WeakPolarHBondContact O-CA 3.48Å; S666-K669 PolarHBondContact O-N 3.24Å; S666-K669 WeakPolarHBondContact OG-CB 3.44Å; S666-K669 PolarHBondContact OG-N 3.43Å; S666-K670 PolarHBondContact O-N 3.22Å
667	R	74.2	Confident	75.6	Confident	205 Å²	205	76 Å²	76	77%	0.774	42%	0.418	S	S	*	.	H	α-helix	trans	-53.5	-40	179.4	-172.4	178.1	178.4	-157.8	-0.7	112.8	Q671	R667-Q671 PolarHBondContact O-N 3.47Å
668	V	76.4	Confident	75.2	Confident	89 Å²	89	77.5 Å²	77.5	54%	0.539	42%	0.424	S	S	.	.	H	α-helix	trans	-65.1	-43	176	179.3	0	0	0	0	110.7	S666 Q671 Q672	S666-V668 PolarHBondContact O-N 3.04Å; V668-Q671 PolarHBondContact O-N 2.89Å; V668-Q672 HydrophobicContact CG1-CG 4.42Å; V668-Q672 WeakPolarHBondContact O-CG 3.39Å; V668-Q672 PolarHBondContact O-N 3.46Å
669	K	75.1	Confident	74.8	Confident	108 Å²	108	82.2 Å²	82.2	47%	0.47	45%	0.447	S	S	.	.	H	α-helix	trans	-66.8	-42.6	-179.7	-166.3	67.3	-179.6	177.3	0	111.8	M665 S666 Q671 Q672 T673	M665-K669 HydrophobicContact CB-CB 4.27Å; M665-K669 HydrophobicContact CB-CG 4.47Å; M665-K669 HydrophobicContact CG-CG 4.36Å; M665-K669 HydrophobicContact SD-CG 4.16Å; S666-K669 WeakPolarHBondContact O-CA 3.48Å; S666-K669 PolarHBondContact O-N 3.24Å; S666-K669 WeakPolarHBondContact OG-CB 3.44Å; S666-K669 PolarHBondContact OG-N 3.43Å; K669-Q671 VanDerWaalsContact C-N 3.3Å; K669-Q671 PolarHBondContact O-N 3.48Å; K669-Q672 PolarHBondContact O-N 3.43Å; K669-T673 PolarHBondContact O-N 3.34Å; K669-T673 PolarHBondContact O-OG1 3.38Å
670	K	80.5	Confident	74.4	Confident	23 Å²	23	86.1 Å²	86.1	10%	0.1	46%	0.459	C	S	.	.	H	α-helix	trans	-54.2	-47.3	172.6	-66.4	-175.3	-179.5	-177	0	111.3	F662 M665 S666 T673 V674 A694 E699	F662-K670 HydrophobicContact CB-CD 4.06Å; F662-K670 HydrophobicContact CB-CG 4.13Å; F662-K670 HydrophobicContact CD1-CB 4.19Å; F662-K670 HydrophobicContact CD1-CG 4.06Å; F662-K670 HydrophobicContact CG-CG 4.42Å; F662-K670 WeakPolarHBondContact O-CE 3.38Å; M665-K670 HydrophobicContact CB-CG 3.66Å; M665-K670 WeakPolarHBondContact O-CE 3.49Å; S666-K670 PolarHBondContact O-N 3.22Å; K670-T673 PolarHBondContact O-N 3.08Å; K670-V674 PolarHBondContact O-N 3.39Å; K670-A694 HydrophobicContact CB-CB 3.89Å; K670-A694 HydrophobicContact CD-CB 4.43Å; K670-E699 IonicContact NZ-OE1 2.72Å; K670-E699 PolarHBondContact NZ-OE1 2.85Å; K670-E699 IonicContact NZ-OE2 3.53Å; K670-E699 PolarHBondContact NZ-OE2 3.4Å
671	Q	76.3	Confident	74	Confident	84 Å²	84	80.6 Å²	80.6	39%	0.393	43%	0.432	S	S	.	.	H	α-helix	trans	-63.7	-45	177.2	-77.9	-172.4	-36.1	0	0	112.6	R667 V668 K669 T673 V674 Y675	R667-Q671 PolarHBondContact O-N 3.47Å; V668-Q671 PolarHBondContact O-N 2.89Å; K669-Q671 VanDerWaalsContact C-N 3.3Å; K669-Q671 PolarHBondContact O-N 3.48Å; Q671-T673 VanDerWaalsContact C-N 3.31Å; Q671-T673 PolarHBondContact O-N 3.21Å; Q671-V674 PolarHBondContact O-N 2.87Å; Q671-Y675 WeakPolarHBondContact O-CB 3.47Å; Q671-Y675 PolarHBondContact O-N 2.79Å
672	Q	73.3	Confident	73.8	Confident	110 Å²	110	76.8 Å²	76.8	51%	0.514	41%	0.412	S	S	.	.	H	α-helix	trans	-61.9	-38	177.9	-74.9	178.1	-16.7	0	0	112.6	V668 K669 V674 Y675 G676	V668-Q672 HydrophobicContact CG1-CG 4.42Å; V668-Q672 WeakPolarHBondContact O-CG 3.39Å; V668-Q672 PolarHBondContact O-N 3.46Å; K669-Q672 PolarHBondContact O-N 3.43Å; Q672-V674 VanDerWaalsContact C-N 3.32Å; Q672-V674 PolarHBondContact O-N 3.43Å; Q672-Y675 PolarHBondContact O-N 3.43Å; Q672-G676 PolarHBondContact O-N 3.08Å
673	T	73.2	Confident	73.5	Confident	48 Å²	48	79.9 Å²	79.9	29%	0.294	44%	0.44	S	S	.	.	H	α-helix	trans	-62.3	-39.7	177.8	-57.6	0	0	0	0	111.6	L661 F662 K669 K670 Q671 P677	L661-T673 HydrophobicContact CD2-CG2 4.21Å; F662-T673 HydrophobicContact CE1-CG2 4.42Å; K669-T673 PolarHBondContact O-N 3.34Å; K669-T673 PolarHBondContact O-OG1 3.38Å; K670-T673 PolarHBondContact O-N 3.08Å; Q671-T673 VanDerWaalsContact C-N 3.31Å; Q671-T673 PolarHBondContact O-N 3.21Å; T673-P677 VanDerWaalsContact O-CD 3.3Å; T673-P677 WeakPolarHBondContact O-CD 3.27Å
674	V	74.5	Confident	73.3	Confident	22 Å²	22	78.5 Å²	78.5	13%	0.133	43%	0.432	C	S	.	.	H	α-helix	trans	-79.8	-33.7	176.6	-177.8	0	0	0	0	111.9	V655 A657 F662 K670 Q671 Q672 L678 I692 A694	V655-V674 HydrophobicContact CG1-CG1 4.35Å; A657-V674 HydrophobicContact CB-CG2 4.08Å; F662-V674 HydrophobicContact CE1-CG2 3.9Å; F662-V674 HydrophobicContact CZ-CG2 3.77Å; K670-V674 PolarHBondContact O-N 3.39Å; Q671-V674 PolarHBondContact O-N 2.87Å; Q672-V674 VanDerWaalsContact C-N 3.32Å; Q672-V674 PolarHBondContact O-N 3.43Å; V674-L678 HydrophobicContact CG1-CD1 4.47Å; V674-I692 HydrophobicContact CB-CD1 4.25Å; V674-I692 HydrophobicContact CB-CG2 3.68Å; V674-I692 HydrophobicContact CG1-CD1 3.98Å; V674-I692 HydrophobicContact CG1-CG1 4.19Å; V674-I692 HydrophobicContact CG1-CG2 3.64Å; V674-I692 HydrophobicContact CG2-CG2 4.06Å; V674-A694 HydrophobicContact CG2-CB 4.25Å
675	Y	73	Confident	72.8	Confident	96 Å²	96	79.8 Å²	79.8	38%	0.376	42%	0.42	S	S	.	.	H	α-helix	trans	-74.8	-32.7	-178.5	-164.5	-91.1	0	0	0	113	Q671 Q672 L678 M679 I682 V690 I692	Q671-Y675 WeakPolarHBondContact O-CB 3.47Å; Q671-Y675 PolarHBondContact O-N 2.79Å; Q672-Y675 PolarHBondContact O-N 3.43Å; Y675-L678 WeakPolarHBondContact O-CA 3.13Å; Y675-L678 PolarHBondContact O-N 3.41Å; Y675-M679 HydrophobicContact CD1-CG 4.09Å; Y675-M679 HydrophobicContact CE1-CB 4.43Å; Y675-M679 HydrophobicContact CE1-CG 3.63Å; Y675-M679 PolarHBondContact O-N 3.36Å; Y675-M679 VanDerWaalsContact O-N 3.1Å; Y675-I682 HydrophobicContact CD2-CD1 4.04Å; Y675-I682 HydrophobicContact CE1-CD1 4.18Å; Y675-I682 HydrophobicContact CE2-CD1 3.26Å; Y675-I682 WeakPolarHBondContact OH-CD1 3.19Å; Y675-V690 HydrophobicContact CD2-CG1 4.49Å; Y675-V690 HydrophobicContact CE2-CG1 4.31Å; Y675-I692 HydrophobicContact CD2-CD1 3.83Å; Y675-I692 HydrophobicContact CG-CD1 4.44Å
676	G	71.1	Confident	72	Confident	46 Å²	46	84 Å²	84	47%	0.474	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-51.7	-51.5	-176.8	0	0	0	0	0	114	Q672 L678 M679	Q672-G676 PolarHBondContact O-N 3.08Å; G676-L678 VanDerWaalsContact C-N 3.27Å; G676-L678 PolarHBondContact O-N 2.87Å; G676-M679 PolarHBondContact O-N 3.37Å
677	P	64.5	Low	71.5	Confident	92 Å²	92	81.9 Å²	81.9	60%	0.597	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-67.9	-22	175.6	-20.9	32.8	0	0	0	114.6	T673	T673-P677 VanDerWaalsContact O-CD 3.3Å; T673-P677 WeakPolarHBondContact O-CD 3.27Å
678	L	71.5	Confident	71	Confident	39 Å²	39	78.4 Å²	78.4	20%	0.204	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-88.5	-11.8	-177.8	-63.8	175.4	0	0	0	113.1	V674 Y675 G676 E680 Y681 I682 I687 V690 I692	V674-L678 HydrophobicContact CG1-CD1 4.47Å; Y675-L678 WeakPolarHBondContact O-CA 3.13Å; Y675-L678 PolarHBondContact O-N 3.41Å; G676-L678 VanDerWaalsContact C-N 3.27Å; G676-L678 PolarHBondContact O-N 2.87Å; L678-E680 VanDerWaalsContact C-N 3.31Å; L678-E680 PolarHBondContact O-N 3.14Å; L678-Y681 PolarHBondContact O-N 3.24Å; L678-Y681 VanDerWaalsContact O-N 3.14Å; L678-I682 HydrophobicContact CB-CD1 4.31Å; L678-I682 WeakPolarHBondContact O-CG1 3.36Å; L678-I682 PolarHBondContact O-N 3.31Å; L678-I682 VanDerWaalsContact O-N 3.16Å; L678-I687 HydrophobicContact CD2-CD1 4.23Å; L678-V690 HydrophobicContact CD1-CG2 4.47Å; L678-I692 HydrophobicContact CD1-CD1 4.41Å
679	M	68.2	Low	70.8	Confident	115 Å²	115	75.9 Å²	75.9	57%	0.567	40%	0.396	S	S	*	.	H	α-helix	trans	-62.1	-37.5	-168.4	-141.3	-133.1	-68.3	0	0	113	Y675 G676 Y681 I682 A683	Y675-M679 HydrophobicContact CD1-CG 4.09Å; Y675-M679 HydrophobicContact CE1-CB 4.43Å; Y675-M679 HydrophobicContact CE1-CG 3.63Å; Y675-M679 PolarHBondContact O-N 3.36Å; Y675-M679 VanDerWaalsContact O-N 3.1Å; G676-M679 PolarHBondContact O-N 3.37Å; M679-Y681 VanDerWaalsContact C-N 3.34Å; M679-Y681 PolarHBondContact O-N 2.71Å; M679-I682 PolarHBondContact O-N 3.04Å; M679-A683 WeakPolarHBondContact O-CB 3.44Å; M679-A683 PolarHBondContact O-N 3.45Å
680	E	67.7	Low	70.9	Confident	102 Å²	102	72.3 Å²	72.3	48%	0.477	38%	0.384	S	S	.	.	H	α-helix	trans	-63.3	-39.5	178.2	-169.1	179.7	165	0	0	111.9	L678 A683 D684	L678-E680 VanDerWaalsContact C-N 3.31Å; L678-E680 PolarHBondContact O-N 3.14Å; E680-A683 PolarHBondContact O-N 2.91Å; E680-D684 PolarHBondContact O-N 3.46Å
681	Y	65.3	Low	70.7	Confident	46 Å²	46	74.3 Å²	74.3	18%	0.18	40%	0.401	C	S	.	.	H	α-helix	trans	-74.1	-29.4	179.1	-56.9	-80.3	0	0	0	113.1	L678 M679 N685 R686 I687	L678-Y681 PolarHBondContact O-N 3.24Å; L678-Y681 VanDerWaalsContact O-N 3.14Å; M679-Y681 VanDerWaalsContact C-N 3.34Å; M679-Y681 PolarHBondContact O-N 2.71Å; Y681-N685 PolarHBondContact O-N 2.89Å; Y681-R686 PolarHBondContact O-N 2.94Å; Y681-I687 HydrophobicContact CG-CD1 4.44Å; Y681-I687 PolarHBondContact O-N 3.04Å
682	I	70.4	Confident	70.9	Confident	41 Å²	41	71.1 Å²	71.1	21%	0.21	39%	0.386	C	S	.	.	H	α-helix	trans	-73.5	-41.2	173.2	-63.3	169.1	0	0	0	109.8	Y675 L678 M679 D684 N685 I687 V690	Y675-I682 HydrophobicContact CD2-CD1 4.04Å; Y675-I682 HydrophobicContact CE1-CD1 4.18Å; Y675-I682 HydrophobicContact CE2-CD1 3.26Å; Y675-I682 WeakPolarHBondContact OH-CD1 3.19Å; L678-I682 HydrophobicContact CB-CD1 4.31Å; L678-I682 WeakPolarHBondContact O-CG1 3.36Å; L678-I682 PolarHBondContact O-N 3.31Å; L678-I682 VanDerWaalsContact O-N 3.16Å; M679-I682 PolarHBondContact O-N 3.04Å; I682-D684 VanDerWaalsContact C-N 3.31Å; I682-D684 PolarHBondContact O-N 3.14Å; I682-N685 PolarHBondContact O-N 3.35Å; I682-N685 VanDerWaalsContact O-N 3.07Å; I682-I687 HydrophobicContact CG1-CB 4.02Å; I682-I687 HydrophobicContact CG1-CG2 4.14Å; I682-V690 HydrophobicContact CD1-CG1 3.91Å
683	A	72.2	Confident	71.3	Confident	79 Å²	79	69.4 Å²	69.4	65%	0.653	38%	0.377	S	S	*	.	H	α-helix	trans	-61.6	-39.5	176.8	0	0	0	0	0	112.2	M679 E680 N685	M679-A683 WeakPolarHBondContact O-CB 3.44Å; M679-A683 PolarHBondContact O-N 3.45Å; E680-A683 PolarHBondContact O-N 2.91Å; A683-N685 PolarHBondContact O-N 3.47Å
684	D	74.3	Confident	71.8	Confident	98 Å²	98	67.9 Å²	67.9	52%	0.524	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	7.1	176.2	-73.8	-8.9	0	0	0	113.9	E680 I682 R686	E680-D684 PolarHBondContact O-N 3.46Å; I682-D684 VanDerWaalsContact C-N 3.31Å; I682-D684 PolarHBondContact O-N 3.14Å; D684-R686 HydrophobicContact CB-CG 4.3Å; D684-R686 PolarHBondContact O-N 2.69Å; D684-R686 VanDerWaalsContact O-N 3.07Å; D684-R686 IonicContact OD2-CZ 3.54Å; D684-R686 IonicContact OD2-NE 3.62Å; D684-R686 IonicContact OD2-NH2 3.99Å; D684-R686 PolarHBondContact OD2-NH2 3.02Å
685	N	68.8	Low	72.1	Confident	108 Å²	108	68.1 Å²	68.1	58%	0.578	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	17.3	178	-144.6	17.9	0	0	0	114.6	Y681 I682 A683 I687 H688	Y681-N685 PolarHBondContact O-N 2.89Å; I682-N685 PolarHBondContact O-N 3.35Å; I682-N685 VanDerWaalsContact O-N 3.07Å; A683-N685 PolarHBondContact O-N 3.47Å; N685-I687 VanDerWaalsContact C-N 3.31Å; N685-H688 PolarHBondContact OD1-CE1 2.86Å; N685-H688 PolarHBondContact OD1-ND1 2.99Å
686	R	64.1	Low	72.5	Confident	140 Å²	140	64.1 Å²	64.1	53%	0.528	35%	0.354	S	S	.	.	S	Bend	trans	-74.9	-24.5	174.8	-69.4	-177.7	-88.1	169.7	-4.7	111.8	Y681 D684	Y681-R686 PolarHBondContact O-N 2.94Å; D684-R686 HydrophobicContact CB-CG 4.3Å; D684-R686 PolarHBondContact O-N 2.69Å; D684-R686 VanDerWaalsContact O-N 3.07Å; D684-R686 IonicContact OD2-CZ 3.54Å; D684-R686 IonicContact OD2-NE 3.62Å; D684-R686 IonicContact OD2-NH2 3.99Å; D684-R686 PolarHBondContact OD2-NH2 3.02Å
687	I	66.3	Low	72.7	Confident	29 Å²	29	64.8 Å²	64.8	15%	0.149	35%	0.349	C	S	.	.	S	Bend	trans	-119.6	104.3	172	-60.1	178	0	0	0	107.3	F653 L678 Y681 I682 N685 V690	F653-I687 HydrophobicContact CD2-CG2 4.18Å; L678-I687 HydrophobicContact CD2-CD1 4.23Å; Y681-I687 HydrophobicContact CG-CD1 4.44Å; Y681-I687 PolarHBondContact O-N 3.04Å; I682-I687 HydrophobicContact CG1-CB 4.02Å; I682-I687 HydrophobicContact CG1-CG2 4.14Å; N685-I687 VanDerWaalsContact C-N 3.31Å; I687-V690 HydrophobicContact CG2-CB 3.95Å; I687-V690 HydrophobicContact CG2-CG1 4.44Å
688	H	64.6	Low	73.3	Confident	132 Å²	132	63.3 Å²	63.3	61%	0.611	35%	0.345	S	S	*	.	S	Bend	trans	-75.4	-37.9	-174.8	-142.2	52	0	0	0	112.4	S651 N685	S651-H688 WeakPolarHBondContact O-CB 3.25Å; N685-H688 PolarHBondContact OD1-CE1 2.86Å; N685-H688 PolarHBondContact OD1-ND1 2.99Å
689	A	71.6	Confident	73.8	Confident	35 Å²	35	64.4 Å²	64.4	29%	0.289	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	139	170.7	0	0	0	0	0	111.4	S651 F653	S651-A689 PolarHBondContact O-N 3.07Å; F653-A689 PolarHBondContact N-O 2.89Å
690	V	77.4	Confident	74.4	Confident	34 Å²	34	59.6 Å²	59.6	21%	0.206	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	126.7	175.1	69.3	0	0	0	0	111.9	F653 V655 Y675 L678 I682 I687 I692	F653-V690 HydrophobicContact CB-CG2 4.23Å; F653-V690 CarbonylContact O-C 3.59Å; F653-V690 VanDerWaalsContact O-CA 3.27Å; F653-V690 WeakPolarHBondContact O-CA 3.42Å; V655-V690 HydrophobicContact CB-CG2 4.48Å; V655-V690 HydrophobicContact CG2-CG2 3.72Å; Y675-V690 HydrophobicContact CD2-CG1 4.49Å; Y675-V690 HydrophobicContact CE2-CG1 4.31Å; L678-V690 HydrophobicContact CD1-CG2 4.47Å; I682-V690 HydrophobicContact CD1-CG1 3.91Å; I687-V690 HydrophobicContact CG2-CB 3.95Å; I687-V690 HydrophobicContact CG2-CG1 4.44Å; V690-I692 HydrophobicContact CG1-CD1 4.29Å; V690-I692 HydrophobicContact CG1-CG1 4.36Å; V690-I692 HydrophobicContact CG2-CG1 4.1Å
691	S	76	Confident	74.8	Confident	65 Å²	65	57.4 Å²	57.4	46%	0.455	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	115.4	173.3	-177.9	0	0	0	0	109.4	F653 Q654 V655	F653-S691 PolarHBondContact O-N 3.4Å; Q654-S691 CarbonylContact C-O 3.43Å; Q654-S691 WeakPolarHBondContact CA-O 3.31Å; V655-S691 PolarHBondContact N-O 2.86Å
692	I	81.6	Confident	75.4	Confident	17 Å²	17	63.2 Å²	63.2	9%	0.087	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	125.3	-174	-62.3	169.8	0	0	0	110.5	V655 V674 Y675 L678 V690	V655-I692 WeakPolarHBondContact O-CA 3.37Å; V674-I692 HydrophobicContact CB-CD1 4.25Å; V674-I692 HydrophobicContact CB-CG2 3.68Å; V674-I692 HydrophobicContact CG1-CD1 3.98Å; V674-I692 HydrophobicContact CG1-CG1 4.19Å; V674-I692 HydrophobicContact CG1-CG2 3.64Å; V674-I692 HydrophobicContact CG2-CG2 4.06Å; Y675-I692 HydrophobicContact CD2-CD1 3.83Å; Y675-I692 HydrophobicContact CG-CD1 4.44Å; L678-I692 HydrophobicContact CD1-CD1 4.41Å; V690-I692 HydrophobicContact CG1-CD1 4.29Å; V690-I692 HydrophobicContact CG1-CG1 4.36Å; V690-I692 HydrophobicContact CG2-CG1 4.1Å
693	K	81.7	Confident	75.6	Confident	73 Å²	73	63 Å²	63	32%	0.317	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	130.9	165.7	-62.7	-175.9	174.3	-173.8	0	109.2	V655 I656 A657 Y695	V655-K693 PolarHBondContact O-N 3.42Å; I656-K693 CarbonylContact C-O 3.49Å; I656-K693 VanDerWaalsContact CA-O 3.29Å; I656-K693 WeakPolarHBondContact CA-O 3.44Å; I656-K693 HydrophobicContact CG1-CB 4.37Å; A657-K693 PolarHBondContact N-O 2.89Å; K693-Y695 HydrophobicContact CB-CD2 4.41Å; K693-Y695 HydrophobicContact CB-CE2 3.61Å; K693-Y695 HydrophobicContact CD-CE2 4.32Å; K693-Y695 WeakPolarHBondContact CD-OH 3.38Å
694	A	82.5	Confident	75.7	Confident	17 Å²	17	64.4 Å²	64.4	14%	0.14	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	127.1	-178.2	0	0	0	0	0	109.6	A657 F662 K670 V674	A657-A694 CarbonylContact O-C 3.6Å; A657-A694 VanDerWaalsContact O-CA 3.27Å; A657-A694 WeakPolarHBondContact O-CA 3.42Å; F662-A694 HydrophobicContact CD1-CB 4.07Å; F662-A694 HydrophobicContact CD2-CB 4.21Å; F662-A694 HydrophobicContact CE1-CB 3.9Å; F662-A694 HydrophobicContact CE2-CB 4.04Å; F662-A694 HydrophobicContact CG-CB 4.22Å; F662-A694 HydrophobicContact CZ-CB 3.88Å; K670-A694 HydrophobicContact CB-CB 3.89Å; K670-A694 HydrophobicContact CD-CB 4.43Å; V674-A694 HydrophobicContact CG2-CB 4.25Å
695	Y	81.5	Confident	75.5	Confident	27 Å²	27	68.9 Å²	68.9	11%	0.106	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	142.2	-172.7	-62	-86.9	0	0	0	111.1	I656 A657 V658 G659 F662 K693 E699 W700 D703	I656-Y695 HydrophobicContact CG2-CD2 3.73Å; I656-Y695 HydrophobicContact CG2-CE2 3.74Å; A657-Y695 PolarHBondContact O-N 3.14Å; V658-Y695 VanDerWaalsContact CA-O 3.3Å; V658-Y695 WeakPolarHBondContact CA-O 3.28Å; G659-Y695 PolarHBondContact N-O 2.89Å; F662-Y695 WeakPolarHBondContact CD2-O 3.41Å; K693-Y695 HydrophobicContact CB-CD2 4.41Å; K693-Y695 HydrophobicContact CB-CE2 3.61Å; K693-Y695 HydrophobicContact CD-CE2 4.32Å; K693-Y695 WeakPolarHBondContact CD-OH 3.38Å; Y695-E699 WeakPolarHBondContact CA-OE2 3.37Å; Y695-E699 HydrophobicContact CD1-CB 3.98Å; Y695-W700 HydrophobicContact CD1-CE3 4.46Å; Y695-W700 AromaticContact CD2-CE3 3.64Å; Y695-W700 HydrophobicContact CD2-CE3 3.64Å; Y695-W700 HydrophobicContact CD2-CZ3 4.18Å; Y695-W700 AromaticContact CE2-CE3 3.74Å; Y695-W700 HydrophobicContact CE2-CE3 3.74Å; Y695-W700 AromaticContact CE2-CZ3 3.86Å; Y695-W700 HydrophobicContact CE2-CZ3 3.86Å; Y695-W700 HydrophobicContact CG-CB 4.24Å; Y695-W700 HydrophobicContact CG-CE3 4.03Å; Y695-D703 HydrophobicContact CD1-CB 4.4Å; Y695-D703 HydrophobicContact CE1-CB 3.71Å; Y695-D703 WeakPolarHBondContact CE1-OD2 3.49Å; Y695-D703 VanDerWaalsContact CZ-OD2 3.3Å; Y695-D703 PolarHBondContact OH-OD2 3.07Å
696	T	80.8	Confident	75.5	Confident	12 Å²	12	70.3 Å²	70.3	7%	0.074	36%	0.355	C	S	.	.			trans	-69	158	156.9	68.1	0	0	0	0	109.7	F662 D663 A698 E699 W700	F662-T696 HydrophobicContact CB-CG2 4.17Å; D663-T696 HydrophobicContact CB-CG2 3.95Å; T696-A698 PolarHBondContact O-N 3.47Å; T696-A698 VanDerWaalsContact O-N 3.1Å; T696-E699 PolarHBondContact N-OE2 3.44Å; T696-E699 PolarHBondContact O-N 3.45Å; T696-E699 VanDerWaalsContact OG1-CG 3.25Å; T696-E699 WeakPolarHBondContact OG1-CG 3.47Å; T696-E699 PolarHBondContact OG1-N 3.25Å; T696-W700 WeakPolarHBondContact O-CB 3.43Å; T696-W700 PolarHBondContact O-N 3.15Å
697	P	76.6	Confident	75.3	Confident	59 Å²	59	67.9 Å²	67.9	38%	0.383	35%	0.353	S	S	.	.	H	α-helix	trans	-52.4	-35.8	176.4	-28	35.6	0	0	0	113.1	V658 E660 A701	V658-P697 HydrophobicContact CG1-CG 4.48Å; E660-P697 HydrophobicContact CG-CG 3.95Å; P697-A701 WeakPolarHBondContact O-CB 3.48Å; P697-A701 PolarHBondContact O-N 3.21Å
698	A	77.2	Confident	74.2	Confident	62 Å²	62	69.9 Å²	69.9	51%	0.512	38%	0.38	S	S	.	.	H	α-helix	trans	-75	-33.4	177.2	0	0	0	0	0	114.2	T696 R702	T696-A698 PolarHBondContact O-N 3.47Å; T696-A698 VanDerWaalsContact O-N 3.1Å; A698-R702 PolarHBondContact O-N 2.72Å; A698-R702 PolarHBondContact O-NE 3.19Å
699	E	81	Confident	73.6	Confident	62 Å²	62	69.6 Å²	69.6	29%	0.29	38%	0.377	S	S	.	.	H	α-helix	trans	-69.7	-42.1	171.7	-71.4	170.2	162.5	0	0	110.8	K670 Y695 T696 R702 D703	K670-E699 IonicContact NZ-OE1 2.72Å; K670-E699 PolarHBondContact NZ-OE1 2.85Å; K670-E699 IonicContact NZ-OE2 3.53Å; K670-E699 PolarHBondContact NZ-OE2 3.4Å; Y695-E699 WeakPolarHBondContact CA-OE2 3.37Å; Y695-E699 HydrophobicContact CD1-CB 3.98Å; T696-E699 PolarHBondContact N-OE2 3.44Å; T696-E699 PolarHBondContact O-N 3.45Å; T696-E699 VanDerWaalsContact OG1-CG 3.25Å; T696-E699 WeakPolarHBondContact OG1-CG 3.47Å; T696-E699 PolarHBondContact OG1-N 3.25Å; E699-R702 PolarHBondContact O-N 3.06Å; E699-D703 PolarHBondContact O-N 2.94Å
700	W	81.1	Confident	73.7	Confident	13 Å²	13	71.3 Å²	71.3	5%	0.049	38%	0.382	C	S	.	.	H	α-helix	trans	-63.8	-46	179.3	-179.3	-129.7	0	0	0	112	E643 H645 I656 V658 Y695 T696 R702 D703 R704 F709	E643-W700 VanDerWaalsContact OE2-CD1 3.26Å; E643-W700 PolarHBondContact OE2-NE1 3.2Å; H645-W700 AromaticContact CD2-CZ2 4Å; I656-W700 HydrophobicContact CD1-CH2 3.89Å; I656-W700 HydrophobicContact CD1-CZ3 4.14Å; I656-W700 HydrophobicContact CG2-CE3 4.09Å; I656-W700 HydrophobicContact CG2-CH2 3.89Å; I656-W700 HydrophobicContact CG2-CZ2 4.42Å; I656-W700 HydrophobicContact CG2-CZ3 3.7Å; V658-W700 HydrophobicContact CB-CG 4.46Å; V658-W700 HydrophobicContact CG1-CB 3.77Å; V658-W700 HydrophobicContact CG1-CG 3.98Å; V658-W700 HydrophobicContact CG2-CB 4.04Å; V658-W700 HydrophobicContact CG2-CD2 3.8Å; V658-W700 HydrophobicContact CG2-CE3 4.46Å; V658-W700 HydrophobicContact CG2-CG 3.58Å; Y695-W700 HydrophobicContact CD1-CE3 4.46Å; Y695-W700 AromaticContact CD2-CE3 3.64Å; Y695-W700 HydrophobicContact CD2-CE3 3.64Å; Y695-W700 HydrophobicContact CD2-CZ3 4.18Å; Y695-W700 AromaticContact CE2-CE3 3.74Å; Y695-W700 HydrophobicContact CE2-CE3 3.74Å; Y695-W700 AromaticContact CE2-CZ3 3.86Å; Y695-W700 HydrophobicContact CE2-CZ3 3.86Å; Y695-W700 HydrophobicContact CG-CB 4.24Å; Y695-W700 HydrophobicContact CG-CE3 4.03Å; T696-W700 WeakPolarHBondContact O-CB 3.43Å; T696-W700 PolarHBondContact O-N 3.15Å; W700-R702 PolarHBondContact O-N 3.45Å; W700-D703 PolarHBondContact O-N 3.43Å; W700-R704 WeakPolarHBondContact O-CB 3.24Å; W700-R704 PolarHBondContact O-N 2.93Å; W700-F709 HydrophobicContact CH2-CB 4.34Å; W700-F709 HydrophobicContact CH2-CD2 4.2Å; W700-F709 HydrophobicContact CH2-CG 4.34Å; W700-F709 HydrophobicContact CZ3-CD2 4.36Å
701	A	76.6	Confident	73.5	Confident	56 Å²	56	73.3 Å²	73.3	46%	0.463	39%	0.391	S	S	.	.	H	α-helix	trans	-59.8	-31	175.7	0	0	0	0	0	113	P697	P697-A701 WeakPolarHBondContact O-CB 3.48Å; P697-A701 PolarHBondContact O-N 3.21Å
702	R	76.3	Confident	73.3	Confident	168 Å²	168	73.7 Å²	73.7	63%	0.634	39%	0.387	S	S	*	.	H	α-helix	trans	-75.3	-48.5	174	-83.4	-174	-77.9	178.1	-3.9	112.3	A698 E699 W700 K705 L706	A698-R702 PolarHBondContact O-N 2.72Å; A698-R702 PolarHBondContact O-NE 3.19Å; E699-R702 PolarHBondContact O-N 3.06Å; W700-R702 PolarHBondContact O-N 3.45Å; R702-K705 PolarHBondContact O-N 3.04Å; R702-L706 PolarHBondContact O-N 3.45Å
703	D	76.5	Confident	72.8	Confident	36 Å²	36	77.1 Å²	77.1	19%	0.193	41%	0.405	C	S	.	.	H	α-helix	trans	-71.3	-32.9	-174.8	-154.2	50	0	0	0	112.3	Y695 E699 W700 K705 L706 N707	Y695-D703 HydrophobicContact CD1-CB 4.4Å; Y695-D703 HydrophobicContact CE1-CB 3.71Å; Y695-D703 WeakPolarHBondContact CE1-OD2 3.49Å; Y695-D703 VanDerWaalsContact CZ-OD2 3.3Å; Y695-D703 PolarHBondContact OH-OD2 3.07Å; E699-D703 PolarHBondContact O-N 2.94Å; W700-D703 PolarHBondContact O-N 3.43Å; D703-K705 VanDerWaalsContact C-N 3.3Å; D703-K705 PolarHBondContact O-N 3.19Å; D703-L706 PolarHBondContact O-N 3.23Å; D703-L706 VanDerWaalsContact O-N 3.12Å; D703-N707 PolarHBondContact O-N 2.6Å; D703-N707 PolarHBondContact OD1-ND2 3.44Å; D703-N707 PolarHBondContact OD2-ND2 3.07Å; D703-N707 VanDerWaalsContact OD2-ND2 3.15Å
704	R	73.7	Confident	72.3	Confident	110 Å²	110	77.3 Å²	77.3	42%	0.415	41%	0.41	S	S	.	.	H	α-helix	trans	-60.1	-38.1	174	-172.9	169.1	-175.8	178.5	1.1	112.5	W700 L706 G708 F709	W700-R704 WeakPolarHBondContact O-CB 3.24Å; W700-R704 PolarHBondContact O-N 2.93Å; R704-L706 VanDerWaalsContact C-N 3.34Å; R704-G708 PolarHBondContact O-N 3.45Å; R704-G708 VanDerWaalsContact O-N 3.11Å; R704-F709 HydrophobicContact CG-CB 4.22Å; R704-F709 WeakPolarHBondContact CG-O 3.36Å; R704-F709 PolarHBondContact NE-O 3.34Å
705	K	70.7	Confident	71.6	Confident	192 Å²	192	81.3 Å²	81.3	84%	0.835	43%	0.428	S	S	*	.	H	α-helix	trans	-68.5	-30.4	175	-75.2	-176.5	179.4	-179.3	0	113.4	R702 D703	R702-K705 PolarHBondContact O-N 3.04Å; D703-K705 VanDerWaalsContact C-N 3.3Å; D703-K705 PolarHBondContact O-N 3.19Å
706	L	69	Low	70.9	Confident	138 Å²	138	85.2 Å²	85.2	72%	0.723	45%	0.451	S	S	*	.	H	α-helix	trans	-82.8	-37.4	-178.1	-72.6	166.2	0	0	0	112.4	R702 D703 R704	R702-L706 PolarHBondContact O-N 3.45Å; D703-L706 PolarHBondContact O-N 3.23Å; D703-L706 VanDerWaalsContact O-N 3.12Å; R704-L706 VanDerWaalsContact C-N 3.34Å
707	N	58.4	Low	70.2	Confident	89 Å²	89	90.8 Å²	90.8	48%	0.476	48%	0.48	S	S	.	.	H	α-helix	trans	-104.4	-2.8	-171.9	-67	-35.2	0	0	0	114.5	D703 F709	D703-N707 PolarHBondContact O-N 2.6Å; D703-N707 PolarHBondContact OD1-ND2 3.44Å; D703-N707 PolarHBondContact OD2-ND2 3.07Å; D703-N707 VanDerWaalsContact OD2-ND2 3.15Å; N707-F709 HydrophobicContact CB-CD2 3.71Å; N707-F709 HydrophobicContact CB-CE2 3.4Å; N707-F709 HydrophobicContact CB-CZ 4.25Å
708	G	43.8	Very low	69.6	Low	70 Å²	70	93.5 Å²	93.5	72%	0.722	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	32.9	171.8	0	0	0	0	0	115.6	R704	R704-G708 PolarHBondContact O-N 3.45Å; R704-G708 VanDerWaalsContact O-N 3.11Å
709	F	51.2	Low	68.9	Low	126 Å²	126	96.4 Å²	96.4	55%	0.553	49%	0.486	S	S	*	.			trans	-76.5	0	176.7	-65.7	-73.8	0	0	0	114.3	W700 R704 N707	W700-F709 HydrophobicContact CH2-CB 4.34Å; W700-F709 HydrophobicContact CH2-CD2 4.2Å; W700-F709 HydrophobicContact CH2-CG 4.34Å; W700-F709 HydrophobicContact CZ3-CD2 4.36Å; R704-F709 HydrophobicContact CG-CB 4.22Å; R704-F709 WeakPolarHBondContact CG-O 3.36Å; R704-F709 PolarHBondContact NE-O 3.34Å; N707-F709 HydrophobicContact CB-CD2 3.71Å; N707-F709 HydrophobicContact CB-CE2 3.4Å; N707-F709 HydrophobicContact CB-CZ 4.25Å

Retrieved 709 of 709 residues in 452.9 ms (Link to these results)

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