A0A3Q0KMP4_SCHMA Loading...

Nalp (Nacht, leucine rich repeat and pyrin domain containing)-related

AlphaFold DB , UniProt , Accession A0A3Q0KMP4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 780 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	35	Very low	40.9	Very low	211 Å²	211	137.1 Å²	137.1	100%	1.039	67%	0.668	S	S	*	*				0	-57.4	0	-65.9	-170.9	-166.9	0	0	112.8	H3 R4	M1-H3 VanDerWaalsContact C-N 3.27Å; M1-H3 PolarHBondContact O-N 3.45Å; M1-H3 VanDerWaalsContact O-N 3.09Å; M1-R4 PolarHBondContact O-N 3.46Å
2	N	33.6	Very low	41.2	Very low	114 Å²	114	132.9 Å²	132.9	61%	0.61	66%	0.663	S	S	*	*	H	α-helix	trans	-52	-36.6	-173.8	-70.3	-6.7	0	0	0	115.3	R4 K5 I6	N2-R4 VanDerWaalsContact C-N 3.32Å; N2-R4 PolarHBondContact O-N 2.92Å; N2-K5 PolarHBondContact O-N 3.45Å; N2-I6 WeakPolarHBondContact O-CG1 3.1Å; N2-I6 PolarHBondContact O-N 2.97Å
3	H	32.4	Very low	41.2	Very low	126 Å²	126	132.3 Å²	132.3	58%	0.583	68%	0.679	S	S	*	*	H	α-helix	trans	-57.2	-37	175.7	-107.7	-74.9	0	0	0	114.4	M1 I6 Q7	M1-H3 VanDerWaalsContact C-N 3.27Å; M1-H3 PolarHBondContact O-N 3.45Å; M1-H3 VanDerWaalsContact O-N 3.09Å; H3-I6 PolarHBondContact O-N 3.05Å; H3-Q7 PolarHBondContact O-N 3.22Å
4	R	41.8	Very low	41.4	Very low	194 Å²	194	126.9 Å²	126.9	73%	0.732	66%	0.659	S	S	*	*	H	α-helix	trans	-68.1	-47	176.3	-82.4	-171.4	174.7	176.8	-2.6	111.6	M1 N2 I6 Q7 E8	M1-R4 PolarHBondContact O-N 3.46Å; N2-R4 VanDerWaalsContact C-N 3.32Å; N2-R4 PolarHBondContact O-N 2.92Å; R4-I6 PolarHBondContact O-N 3.05Å; R4-Q7 PolarHBondContact O-N 2.95Å; R4-E8 PolarHBondContact O-N 3.22Å
5	K	45.3	Very low	42.1	Very low	148 Å²	148	128.1 Å²	128.1	64%	0.643	67%	0.667	S	S	*	*	H	α-helix	trans	-63.1	-21.9	176.9	-75.9	-168.4	173.2	-174.7	0	114	N2	N2-K5 PolarHBondContact O-N 3.45Å
6	I	41	Very low	42.7	Very low	77 Å²	77	128.5 Å²	128.5	40%	0.395	67%	0.67	S	S	.	*	H	α-helix	trans	-80.7	-42.1	175.2	-68.6	166	0	0	0	110.8	N2 H3 R4 E8 K9 S10	N2-I6 WeakPolarHBondContact O-CG1 3.1Å; N2-I6 PolarHBondContact O-N 2.97Å; H3-I6 PolarHBondContact O-N 3.05Å; R4-I6 PolarHBondContact O-N 3.05Å; I6-E8 PolarHBondContact O-N 3.2Å; I6-K9 PolarHBondContact O-N 2.97Å; I6-S10 PolarHBondContact O-N 3.32Å
7	Q	44.7	Very low	43.1	Very low	140 Å²	140	131.8 Å²	131.8	65%	0.654	67%	0.673	S	S	*	*	H	α-helix	trans	-63.7	-39.2	175.2	-74.7	-178.1	-41.1	0	0	112.4	H3 R4 K9 S10	H3-Q7 PolarHBondContact O-N 3.22Å; R4-Q7 PolarHBondContact O-N 2.95Å; Q7-K9 PolarHBondContact O-N 3.37Å; Q7-K9 VanDerWaalsContact O-N 3.13Å; Q7-S10 PolarHBondContact O-N 3.47Å; Q7-S10 PolarHBondContact O-OG 2.81Å
8	E	48.8	Very low	43.6	Very low	142 Å²	142	127.7 Å²	127.7	66%	0.664	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.3	-16.7	177.1	-73.5	165.8	-177	0	0	114.1	R4 I6	R4-E8 PolarHBondContact O-N 3.22Å; I6-E8 PolarHBondContact O-N 3.2Å
9	K	47	Very low	44.6	Very low	175 Å²	175	124.5 Å²	124.5	76%	0.761	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.9	2.3	178.5	-71.2	-163.8	172.1	-165.3	0	114.5	I6 Q7 S11	I6-K9 PolarHBondContact O-N 2.97Å; Q7-K9 PolarHBondContact O-N 3.37Å; Q7-K9 VanDerWaalsContact O-N 3.13Å; K9-S11 VanDerWaalsContact C-N 3.31Å; K9-S11 PolarHBondContact O-N 3.06Å
10	S	38	Very low	45.7	Very low	64 Å²	64	123.8 Å²	123.8	45%	0.448	64%	0.641	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.4	17.9	-175.6	61	0	0	0	0	115	I6 Q7 S12	I6-S10 PolarHBondContact O-N 3.32Å; Q7-S10 PolarHBondContact O-N 3.47Å; Q7-S10 PolarHBondContact O-OG 2.81Å; S10-S12 VanDerWaalsContact C-N 3.31Å
11	S	42.9	Very low	46.6	Very low	117 Å²	117	126.8 Å²	126.8	82%	0.818	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	4.8	174.9	49	0	0	0	0	114.4	K9	K9-S11 VanDerWaalsContact C-N 3.31Å; K9-S11 PolarHBondContact O-N 3.06Å
12	S	44.4	Very low	48.1	Very low	87 Å²	87	119.3 Å²	119.3	61%	0.608	62%	0.615	S	S	*	*	S	Bend	trans	-127.8	136.5	172.6	57.3	0	0	0	0	113.2	S10 S14	S10-S12 VanDerWaalsContact C-N 3.31Å; S12-S14 PolarHBondContact O-N 2.74Å
13	S	41.2	Very low	49.9	Very low	125 Å²	125	118.2 Å²	118.2	87%	0.874	61%	0.613	S	S	*	*	S	Bend	trans	-48.6	96.7	-170.1	51.3	0	0	0	0	116.3
14	S	43.9	Very low	51.8	Low	57 Å²	57	115.1 Å²	115.1	40%	0.399	61%	0.609	S	S	.	*			trans	-155.5	49	160.8	61	0	0	0	0	113.5	S12 N16 Y17 N18	S12-S14 PolarHBondContact O-N 2.74Å; S14-N16 PolarHBondContact O-N 2.94Å; S14-Y17 PolarHBondContact O-N 3.11Å; S14-N18 PolarHBondContact O-N 2.89Å
15	N	51.3	Low	53.2	Low	144 Å²	144	109 Å²	109	77%	0.77	59%	0.59	S	S	*	*	H	α-helix	trans	-52.2	-33.9	-173.2	-77.5	-8.5	0	0	0	114.8	S19	N15-S19 PolarHBondContact O-N 2.97Å
16	N	51.9	Low	54.6	Low	135 Å²	135	108.1 Å²	108.1	72%	0.722	59%	0.586	S	S	*	*	H	α-helix	trans	-73.4	-33.5	179.2	-130.4	0.9	0	0	0	113.1	S14	S14-N16 PolarHBondContact O-N 2.94Å
17	Y	49	Very low	56.5	Low	184 Å²	184	109 Å²	109	72%	0.722	59%	0.589	S	S	*	*	H	α-helix	trans	-74.5	-35.1	-178.2	-130.7	-85.5	0	0	0	112.2	S14 R21	S14-Y17 PolarHBondContact O-N 3.11Å; Y17-R21 PolarHBondContact O-N 2.85Å
18	N	52.6	Low	58.1	Low	59 Å²	59	108.2 Å²	108.2	32%	0.316	59%	0.585	S	S	.	*	H	α-helix	trans	-70	-35.1	177.6	-76	-33.2	0	0	0	112.7	S14 R21 A22	S14-N18 PolarHBondContact O-N 2.89Å; N18-R21 PolarHBondContact O-N 3.48Å; N18-A22 PolarHBondContact O-N 3.38Å
19	S	62.4	Low	59.4	Low	66 Å²	66	106.3 Å²	106.3	46%	0.462	58%	0.579	S	S	.	*	H	α-helix	trans	-59.7	-54.4	176.3	-173.1	0	0	0	0	111.6	N15 R21 A22 V23	N15-S19 PolarHBondContact O-N 2.97Å; S19-R21 PolarHBondContact O-N 2.98Å; S19-A22 PolarHBondContact O-N 2.98Å; S19-A22 VanDerWaalsContact O-N 3.08Å; S19-V23 WeakPolarHBondContact O-CG2 3.5Å; S19-V23 PolarHBondContact O-N 3.04Å
20	N	68.1	Low	61	Low	111 Å²	111	102.4 Å²	102.4	59%	0.594	56%	0.563	S	S	*	*	H	α-helix	trans	-57.6	-37.6	178.8	-70.6	-12.5	0	0	0	112.3	V23 A24	N20-V23 PolarHBondContact O-N 3.25Å; N20-A24 WeakPolarHBondContact O-CB 3.46Å; N20-A24 PolarHBondContact O-N 2.74Å
21	R	64.1	Low	63	Low	186 Å²	186	103.4 Å²	103.4	70%	0.702	56%	0.564	S	S	*	*	H	α-helix	trans	-71.5	-34.1	179	-155.5	172.6	-172.3	161.2	3.8	112.8	Y17 N18 S19 L25	Y17-R21 PolarHBondContact O-N 2.85Å; N18-R21 PolarHBondContact O-N 3.48Å; S19-R21 PolarHBondContact O-N 2.98Å; R21-L25 WeakPolarHBondContact O-CB 3.45Å; R21-L25 PolarHBondContact O-N 3.32Å
22	A	65.3	Low	64.2	Low	54 Å²	54	101.8 Å²	101.8	45%	0.446	55%	0.545	S	S	.	.	H	α-helix	trans	-69.4	-41.9	173.2	0	0	0	0	0	112	N18 S19 L25 K26	N18-A22 PolarHBondContact O-N 3.38Å; S19-A22 PolarHBondContact O-N 2.98Å; S19-A22 VanDerWaalsContact O-N 3.08Å; A22-L25 PolarHBondContact O-N 3.17Å; A22-K26 PolarHBondContact O-N 3.49Å
23	V	73.1	Confident	65.6	Low	91 Å²	91	103.2 Å²	103.2	55%	0.552	54%	0.542	S	S	*	.	H	α-helix	trans	-61.1	-47.5	174.5	174.2	0	0	0	0	110.9	S19 N20 L25 K26 Q27	S19-V23 WeakPolarHBondContact O-CG2 3.5Å; S19-V23 PolarHBondContact O-N 3.04Å; N20-V23 PolarHBondContact O-N 3.25Å; V23-L25 VanDerWaalsContact C-N 3.32Å; V23-L25 PolarHBondContact O-N 3.15Å; V23-K26 PolarHBondContact O-N 2.98Å; V23-Q27 PolarHBondContact O-N 3.17Å
24	A	72.1	Confident	67.3	Low	61 Å²	61	104.4 Å²	104.4	50%	0.504	53%	0.532	S	S	.	.	H	α-helix	trans	-60.5	-39.5	176.2	0	0	0	0	0	112.7	N20 H28	N20-A24 WeakPolarHBondContact O-CB 3.46Å; N20-A24 PolarHBondContact O-N 2.74Å; A24-H28 WeakPolarHBondContact O-CB 3.27Å; A24-H28 PolarHBondContact O-N 2.94Å
25	L	70.3	Confident	68.6	Low	65 Å²	65	106.3 Å²	106.3	34%	0.34	54%	0.537	S	S	.	.	H	α-helix	trans	-66.7	-40.8	176.5	-161.2	81.2	0	0	0	111.8	R21 A22 V23 H28 L29	R21-L25 WeakPolarHBondContact O-CB 3.45Å; R21-L25 PolarHBondContact O-N 3.32Å; A22-L25 PolarHBondContact O-N 3.17Å; V23-L25 VanDerWaalsContact C-N 3.32Å; V23-L25 PolarHBondContact O-N 3.15Å; L25-H28 PolarHBondContact O-N 3.5Å; L25-L29 WeakPolarHBondContact O-CG 3.25Å; L25-L29 PolarHBondContact O-N 2.98Å
26	K	75.2	Confident	69.5	Low	130 Å²	130	102.6 Å²	102.6	57%	0.565	52%	0.516	S	S	*	.	H	α-helix	trans	-61.5	-49	175.2	-177.3	-177.3	167.2	-172.4	0	110.9	A22 V23 H28 L29 E30	A22-K26 PolarHBondContact O-N 3.49Å; V23-K26 PolarHBondContact O-N 2.98Å; K26-H28 VanDerWaalsContact C-N 3.29Å; K26-H28 PolarHBondContact O-N 3.41Å; K26-L29 PolarHBondContact O-N 2.83Å; K26-L29 VanDerWaalsContact O-N 3.16Å; K26-E30 WeakPolarHBondContact CE-OE1 3.28Å; K26-E30 IonicContact NZ-OE1 2.82Å; K26-E30 PolarHBondContact O-N 3.02Å
27	Q	80.7	Confident	70.4	Confident	96 Å²	96	99.9 Å²	99.9	45%	0.449	50%	0.502	S	S	.	.	H	α-helix	trans	-60	-39.6	177	-170.7	63.4	60.6	0	0	112	V23 E30 N31	V23-Q27 PolarHBondContact O-N 3.17Å; Q27-E30 PolarHBondContact O-N 3.36Å; Q27-N31 PolarHBondContact NE2-OD1 2.97Å; Q27-N31 WeakPolarHBondContact O-CB 3.41Å; Q27-N31 PolarHBondContact O-N 3.34Å; Q27-N31 PolarHBondContact O-OD1 3Å
28	H	78.3	Confident	71.6	Confident	123 Å²	123	95.1 Å²	95.1	57%	0.569	49%	0.492	S	S	*	.	H	α-helix	trans	-65.4	-39.5	176.8	-167.8	82.2	0	0	0	112.2	A24 L25 K26 N31 L32	A24-H28 WeakPolarHBondContact O-CB 3.27Å; A24-H28 PolarHBondContact O-N 2.94Å; L25-H28 PolarHBondContact O-N 3.5Å; K26-H28 VanDerWaalsContact C-N 3.29Å; K26-H28 PolarHBondContact O-N 3.41Å; H28-N31 PolarHBondContact O-N 3.06Å; H28-L32 WeakPolarHBondContact O-CB 3.34Å; H28-L32 PolarHBondContact O-N 3.19Å
29	L	75.2	Confident	72.3	Confident	103 Å²	103	95.4 Å²	95.4	54%	0.539	49%	0.494	S	S	.	.	H	α-helix	trans	-67.2	-40	174.6	-73.1	168.8	0	0	0	112.5	L25 K26 L32 H33	L25-L29 WeakPolarHBondContact O-CG 3.25Å; L25-L29 PolarHBondContact O-N 2.98Å; K26-L29 PolarHBondContact O-N 2.83Å; K26-L29 VanDerWaalsContact O-N 3.16Å; L29-L32 PolarHBondContact O-N 2.84Å; L29-H33 WeakPolarHBondContact O-CB 3.36Å; L29-H33 PolarHBondContact O-N 3.36Å
30	E	80.8	Confident	72.5	Confident	92 Å²	92	94.2 Å²	94.2	43%	0.43	48%	0.48	S	S	.	.	H	α-helix	trans	-64.8	-42.1	174.5	-73.3	175.9	179.4	0	0	111.5	K26 Q27 H33 K34	K26-E30 WeakPolarHBondContact CE-OE1 3.28Å; K26-E30 IonicContact NZ-OE1 2.82Å; K26-E30 PolarHBondContact O-N 3.02Å; Q27-E30 PolarHBondContact O-N 3.36Å; E30-H33 PolarHBondContact O-N 2.81Å; E30-K34 WeakPolarHBondContact O-CB 3.45Å; E30-K34 PolarHBondContact O-N 3.16Å
31	N	79.7	Confident	72.6	Confident	85 Å²	85	92.6 Å²	92.6	46%	0.455	47%	0.474	S	S	.	.	H	α-helix	trans	-63.2	-42.2	174.4	-69.6	-3.4	0	0	0	111.7	Q27 H28 K34 L35	Q27-N31 PolarHBondContact NE2-OD1 2.97Å; Q27-N31 WeakPolarHBondContact O-CB 3.41Å; Q27-N31 PolarHBondContact O-N 3.34Å; Q27-N31 PolarHBondContact O-OD1 3Å; H28-N31 PolarHBondContact O-N 3.06Å; N31-K34 PolarHBondContact O-N 2.92Å; N31-L35 WeakPolarHBondContact O-CB 3.46Å; N31-L35 PolarHBondContact O-N 3.26Å
32	L	69.8	Low	72.8	Confident	83 Å²	83	90.2 Å²	90.2	44%	0.435	47%	0.466	S	S	.	.	H	α-helix	trans	-63.4	-43.6	175.4	-164.4	86.2	0	0	0	111.1	H28 L29 L35 I36	H28-L32 WeakPolarHBondContact O-CB 3.34Å; H28-L32 PolarHBondContact O-N 3.19Å; L29-L32 PolarHBondContact O-N 2.84Å; L32-L35 PolarHBondContact O-N 2.79Å; L32-I36 HydrophobicContact CD2-CD1 4.19Å; L32-I36 HydrophobicContact CG-CD1 4.08Å; L32-I36 WeakPolarHBondContact O-CB 3.25Å; L32-I36 VanDerWaalsContact O-CG1 3.28Å; L32-I36 WeakPolarHBondContact O-CG1 3.42Å; L32-I36 PolarHBondContact O-N 3.32Å
33	H	73	Confident	72.6	Confident	117 Å²	117	91.3 Å²	91.3	54%	0.542	46%	0.461	S	S	.	.	H	α-helix	trans	-65.3	-39.8	178.3	-163.4	98.1	0	0	0	111.6	L29 E30 I36 N37	L29-H33 WeakPolarHBondContact O-CB 3.36Å; L29-H33 PolarHBondContact O-N 3.36Å; E30-H33 PolarHBondContact O-N 2.81Å; H33-I36 PolarHBondContact O-N 3.28Å; H33-N37 PolarHBondContact CD2-ND2 3Å; H33-N37 PolarHBondContact NE2-ND2 2.97Å; H33-N37 WeakPolarHBondContact O-CB 3.47Å; H33-N37 PolarHBondContact O-N 3.16Å
34	K	76.2	Confident	72.1	Confident	151 Å²	151	88.4 Å²	88.4	66%	0.657	44%	0.444	S	S	*	.	H	α-helix	trans	-63	-45.3	172.7	-169.5	177.1	-178.1	-178.7	0	111.4	E30 N31 N37 T38	E30-K34 WeakPolarHBondContact O-CB 3.45Å; E30-K34 PolarHBondContact O-N 3.16Å; N31-K34 PolarHBondContact O-N 2.92Å; K34-N37 PolarHBondContact O-N 3.44Å; K34-T38 WeakPolarHBondContact O-CB 3.41Å; K34-T38 PolarHBondContact O-N 3.5Å; K34-T38 PolarHBondContact O-OG1 2.84Å; K34-T38 VanDerWaalsContact O-OG1 3.06Å
35	L	72.5	Confident	71.8	Confident	96 Å²	96	89.2 Å²	89.2	50%	0.503	44%	0.439	S	S	.	.	H	α-helix	trans	-62.1	-43.7	177	-176.8	67	0	0	0	112	N31 L32 N39	N31-L35 WeakPolarHBondContact O-CB 3.46Å; N31-L35 PolarHBondContact O-N 3.26Å; L32-L35 PolarHBondContact O-N 2.79Å; L35-N39 VanDerWaalsContact O-CB 3.3Å; L35-N39 WeakPolarHBondContact O-CB 3.36Å; L35-N39 VanDerWaalsContact O-CG 3.32Å; L35-N39 PolarHBondContact O-N 2.92Å; L35-N39 PolarHBondContact O-ND2 2.8Å
36	I	68.6	Low	71.6	Confident	67 Å²	67	89.5 Å²	89.5	34%	0.344	44%	0.439	S	S	.	.	H	α-helix	trans	-61.6	-48	175.8	-71	165	0	0	0	110.2	L32 H33 N39 F40 M84	L32-I36 HydrophobicContact CD2-CD1 4.19Å; L32-I36 HydrophobicContact CG-CD1 4.08Å; L32-I36 WeakPolarHBondContact O-CB 3.25Å; L32-I36 VanDerWaalsContact O-CG1 3.28Å; L32-I36 WeakPolarHBondContact O-CG1 3.42Å; L32-I36 PolarHBondContact O-N 3.32Å; H33-I36 PolarHBondContact O-N 3.28Å; I36-N39 PolarHBondContact O-N 3.49Å; I36-F40 WeakPolarHBondContact O-CB 3.44Å; I36-F40 PolarHBondContact O-N 3.02Å; I36-M84 HydrophobicContact CG2-CE 4.38Å
37	N	72.2	Confident	70.9	Confident	77 Å²	77	86.9 Å²	86.9	41%	0.412	43%	0.426	S	S	.	.	H	α-helix	trans	-63.9	-44.6	179.1	-73.6	-14.4	0	0	0	112.1	H33 K34 N39 F40 T41	H33-N37 PolarHBondContact CD2-ND2 3Å; H33-N37 PolarHBondContact NE2-ND2 2.97Å; H33-N37 WeakPolarHBondContact O-CB 3.47Å; H33-N37 PolarHBondContact O-N 3.16Å; K34-N37 PolarHBondContact O-N 3.44Å; N37-N39 PolarHBondContact O-N 3.4Å; N37-F40 PolarHBondContact O-N 3.04Å; N37-T41 WeakPolarHBondContact O-CB 3.46Å; N37-T41 PolarHBondContact O-N 3.37Å; N37-T41 PolarHBondContact O-OG1 3Å
38	T	73	Confident	69.9	Low	84 Å²	84	87.8 Å²	87.8	52%	0.515	43%	0.43	S	S	.	.	H	α-helix	trans	-60.9	-46.8	176.4	-60.4	0	0	0	0	111.6	K34 T41 Y42	K34-T38 WeakPolarHBondContact O-CB 3.41Å; K34-T38 PolarHBondContact O-N 3.5Å; K34-T38 PolarHBondContact O-OG1 2.84Å; K34-T38 VanDerWaalsContact O-OG1 3.06Å; T38-T41 PolarHBondContact O-N 2.99Å; T38-Y42 WeakPolarHBondContact O-CB 3.38Å; T38-Y42 PolarHBondContact O-N 3.23Å
39	N	68.6	Low	69.1	Low	66 Å²	66	87 Å²	87	35%	0.353	43%	0.427	S	S	.	.	H	α-helix	trans	-68.1	-36	178.8	-74.2	-17.9	0	0	0	112.4	L35 I36 N37 F43 M84	L35-N39 VanDerWaalsContact O-CB 3.3Å; L35-N39 WeakPolarHBondContact O-CB 3.36Å; L35-N39 VanDerWaalsContact O-CG 3.32Å; L35-N39 PolarHBondContact O-N 2.92Å; L35-N39 PolarHBondContact O-ND2 2.8Å; I36-N39 PolarHBondContact O-N 3.49Å; N37-N39 PolarHBondContact O-N 3.4Å; N39-F43 WeakPolarHBondContact O-CB 3.45Å; N39-F43 PolarHBondContact O-N 2.75Å; N39-M84 HydrophobicContact CB-CE 3.51Å
40	F	66.5	Low	68.6	Low	40 Å²	40	87.7 Å²	87.7	18%	0.175	43%	0.427	C	S	.	.	H	α-helix	trans	-66.7	-45.9	175.2	-175.9	-96.3	0	0	0	111	I36 N37 Y42 F43 V44 Y77 T80	I36-F40 WeakPolarHBondContact O-CB 3.44Å; I36-F40 PolarHBondContact O-N 3.02Å; N37-F40 PolarHBondContact O-N 3.04Å; F40-Y42 PolarHBondContact O-N 3.14Å; F40-F43 PolarHBondContact O-N 3.29Å; F40-V44 HydrophobicContact CD1-CG2 4Å; F40-V44 HydrophobicContact CE1-CG2 3.68Å; F40-V44 HydrophobicContact CE2-CG2 4.26Å; F40-V44 HydrophobicContact CG-CG2 4.43Å; F40-V44 HydrophobicContact CZ-CG2 3.82Å; F40-V44 WeakPolarHBondContact O-CB 3.43Å; F40-V44 WeakPolarHBondContact O-CG2 3.18Å; F40-V44 PolarHBondContact O-N 3.38Å; F40-Y77 HydrophobicContact CE2-CD2 4.1Å; F40-T80 HydrophobicContact CD2-CG2 3.8Å; F40-T80 HydrophobicContact CE2-CG2 4.46Å
41	T	69.1	Low	67.3	Low	77 Å²	77	86.6 Å²	86.6	47%	0.472	42%	0.422	S	S	.	.	H	α-helix	trans	-61	-43.8	174.1	-58.1	0	0	0	0	111.4	N37 T38 V44 N45	N37-T41 WeakPolarHBondContact O-CB 3.46Å; N37-T41 PolarHBondContact O-N 3.37Å; N37-T41 PolarHBondContact O-OG1 3Å; T38-T41 PolarHBondContact O-N 2.99Å; T41-V44 PolarHBondContact O-N 3.49Å; T41-N45 WeakPolarHBondContact O-CB 3.39Å; T41-N45 PolarHBondContact O-N 3.01Å; T41-N45 PolarHBondContact O-OD1 3.07Å
42	Y	68.6	Low	66.1	Low	137 Å²	137	85.9 Å²	85.9	54%	0.537	42%	0.421	S	S	.	.	H	α-helix	trans	-58.6	-49	174.7	-178.3	-88.7	0	0	0	112.1	T38 F40 N45 Q46	T38-Y42 WeakPolarHBondContact O-CB 3.38Å; T38-Y42 PolarHBondContact O-N 3.23Å; F40-Y42 PolarHBondContact O-N 3.14Å; Y42-N45 PolarHBondContact O-N 3.04Å; Y42-Q46 HydrophobicContact CD1-CG 4.19Å; Y42-Q46 HydrophobicContact CE1-CG 3.73Å; Y42-Q46 HydrophobicContact CE2-CG 4.48Å; Y42-Q46 WeakPolarHBondContact O-CB 3.48Å; Y42-Q46 WeakPolarHBondContact O-CG 3.29Å; Y42-Q46 PolarHBondContact O-N 3.22Å
43	F	61.4	Low	65.5	Low	77 Å²	77	85.3 Å²	85.3	34%	0.338	42%	0.421	S	S	.	.	H	α-helix	trans	-66.5	-36.9	178.7	-104.1	-78.2	0	0	0	113.5	N39 F40 Y47 T80	N39-F43 WeakPolarHBondContact O-CB 3.45Å; N39-F43 PolarHBondContact O-N 2.75Å; F40-F43 PolarHBondContact O-N 3.29Å; F43-Y47 VanDerWaalsContact O-CB 3.25Å; F43-Y47 WeakPolarHBondContact O-CB 3.46Å; F43-Y47 PolarHBondContact O-N 3.17Å; F43-T80 HydrophobicContact CB-CG2 3.9Å; F43-T80 HydrophobicContact CD2-CG2 4.42Å; F43-T80 HydrophobicContact CG-CG2 4.19Å
44	V	61.4	Low	64.6	Low	30 Å²	30	84 Å²	84	18%	0.182	42%	0.415	C	S	.	.	H	α-helix	trans	-65.8	-41.9	175.7	168.6	0	0	0	0	110.6	F40 T41 Y47 Q48	F40-V44 HydrophobicContact CD1-CG2 4Å; F40-V44 HydrophobicContact CE1-CG2 3.68Å; F40-V44 HydrophobicContact CE2-CG2 4.26Å; F40-V44 HydrophobicContact CG-CG2 4.43Å; F40-V44 HydrophobicContact CZ-CG2 3.82Å; F40-V44 WeakPolarHBondContact O-CB 3.43Å; F40-V44 WeakPolarHBondContact O-CG2 3.18Å; F40-V44 PolarHBondContact O-N 3.38Å; T41-V44 PolarHBondContact O-N 3.49Å; V44-Y47 PolarHBondContact O-N 3.35Å; V44-Q48 WeakPolarHBondContact O-CB 2.94Å; V44-Q48 VanDerWaalsContact O-CG 3.27Å; V44-Q48 WeakPolarHBondContact O-CG 3.48Å; V44-Q48 PolarHBondContact O-N 3.4Å
45	N	67.4	Low	63	Low	78 Å²	78	84.3 Å²	84.3	42%	0.417	41%	0.412	S	S	.	.	H	α-helix	trans	-64.3	-48.1	176.5	-67.1	-2.8	0	0	0	111.1	T41 Y42 Y47 Q48 E49	T41-N45 WeakPolarHBondContact O-CB 3.39Å; T41-N45 PolarHBondContact O-N 3.01Å; T41-N45 PolarHBondContact O-OD1 3.07Å; Y42-N45 PolarHBondContact O-N 3.04Å; N45-Y47 PolarHBondContact O-N 3.49Å; N45-Q48 WeakPolarHBondContact O-CB 3.41Å; N45-Q48 PolarHBondContact O-N 2.97Å; N45-Q48 VanDerWaalsContact O-N 3.13Å; N45-E49 WeakPolarHBondContact O-CG 3.39Å; N45-E49 PolarHBondContact O-N 3.34Å
46	Q	65.5	Low	62.1	Low	71 Å²	71	82.8 Å²	82.8	33%	0.332	40%	0.404	S	S	.	.	H	α-helix	trans	-61.6	-42.2	176.6	-73.7	-84.6	-76	0	0	112.3	Y42 Q48 E49 E50	Y42-Q46 HydrophobicContact CD1-CG 4.19Å; Y42-Q46 HydrophobicContact CE1-CG 3.73Å; Y42-Q46 HydrophobicContact CE2-CG 4.48Å; Y42-Q46 WeakPolarHBondContact O-CB 3.48Å; Y42-Q46 WeakPolarHBondContact O-CG 3.29Å; Y42-Q46 PolarHBondContact O-N 3.22Å; Q46-Q48 VanDerWaalsContact C-N 3.3Å; Q46-Q48 PolarHBondContact O-N 3.13Å; Q46-E49 PolarHBondContact NE2-OE2 3.2Å; Q46-E49 PolarHBondContact O-N 3.5Å; Q46-E50 WeakPolarHBondContact O-CG 3.36Å; Q46-E50 PolarHBondContact O-N 3.01Å
47	Y	60.1	Low	61.5	Low	74 Å²	74	85.7 Å²	85.7	29%	0.29	41%	0.414	S	S	.	.	H	α-helix	trans	-64.8	-34.5	174.9	-173.1	-102.2	0	0	0	112.1	F43 V44 N45 Q51 L76	F43-Y47 VanDerWaalsContact O-CB 3.25Å; F43-Y47 WeakPolarHBondContact O-CB 3.46Å; F43-Y47 PolarHBondContact O-N 3.17Å; V44-Y47 PolarHBondContact O-N 3.35Å; N45-Y47 PolarHBondContact O-N 3.49Å; Y47-Q51 HydrophobicContact CD1-CG 4.1Å; Y47-Q51 HydrophobicContact CE1-CG 3.74Å; Y47-Q51 HydrophobicContact CE2-CG 4.35Å; Y47-Q51 WeakPolarHBondContact O-CB 3.43Å; Y47-Q51 WeakPolarHBondContact O-CG 3.44Å; Y47-Q51 PolarHBondContact O-N 3.24Å; Y47-L76 HydrophobicContact CD1-CD2 3.72Å; Y47-L76 HydrophobicContact CE1-CD2 3.71Å
48	Q	59.4	Low	60.3	Low	115 Å²	115	86.5 Å²	86.5	54%	0.537	42%	0.415	S	S	.	.	H	α-helix	trans	-67.8	-38.4	172.2	-75.4	175.1	1.5	0	0	112.2	V44 N45 Q46 T52	V44-Q48 WeakPolarHBondContact O-CB 2.94Å; V44-Q48 VanDerWaalsContact O-CG 3.27Å; V44-Q48 WeakPolarHBondContact O-CG 3.48Å; V44-Q48 PolarHBondContact O-N 3.4Å; N45-Q48 WeakPolarHBondContact O-CB 3.41Å; N45-Q48 PolarHBondContact O-N 2.97Å; N45-Q48 VanDerWaalsContact O-N 3.13Å; Q46-Q48 VanDerWaalsContact C-N 3.3Å; Q46-Q48 PolarHBondContact O-N 3.13Å; Q48-T52 VanDerWaalsContact O-CB 3.29Å; Q48-T52 WeakPolarHBondContact O-CB 3.01Å; Q48-T52 PolarHBondContact O-N 3.24Å; Q48-T52 PolarHBondContact O-OG1 3.25Å
49	E	62.7	Low	59	Low	108 Å²	108	86.5 Å²	86.5	51%	0.505	41%	0.412	S	S	.	.	H	α-helix	trans	-66.1	-44.2	174.1	-72.4	166.3	-179.4	0	0	111.7	N45 Q46 T52 T53	N45-E49 WeakPolarHBondContact O-CG 3.39Å; N45-E49 PolarHBondContact O-N 3.34Å; Q46-E49 PolarHBondContact NE2-OE2 3.2Å; Q46-E49 PolarHBondContact O-N 3.5Å; E49-T52 PolarHBondContact O-N 3.07Å; E49-T53 PolarHBondContact O-N 3.19Å; E49-T53 PolarHBondContact O-OG1 3.49Å
50	E	63.5	Low	58.2	Low	116 Å²	116	90.2 Å²	90.2	54%	0.542	43%	0.432	S	S	.	.	H	α-helix	trans	-60.2	-47.9	173.2	-75.5	-178.3	169.8	0	0	111.7	Q46 T52 T53 E54	Q46-E50 WeakPolarHBondContact O-CG 3.36Å; Q46-E50 PolarHBondContact O-N 3.01Å; E50-T52 VanDerWaalsContact C-N 3.32Å; E50-T52 PolarHBondContact O-N 2.73Å; E50-T53 WeakPolarHBondContact CA-OG1 3.1Å; E50-T53 PolarHBondContact O-N 3.42Å; E50-T53 PolarHBondContact O-OG1 3.1Å; E50-E54 WeakPolarHBondContact O-CB 3.13Å; E50-E54 PolarHBondContact O-N 2.86Å
51	Q	54.3	Low	57.3	Low	69 Å²	69	97 Å²	97	32%	0.322	46%	0.461	S	S	.	.	H	α-helix	trans	-65.4	-34	176.7	-71.4	-64.3	-66.7	0	0	112.4	Y47 W55	Y47-Q51 HydrophobicContact CD1-CG 4.1Å; Y47-Q51 HydrophobicContact CE1-CG 3.74Å; Y47-Q51 HydrophobicContact CE2-CG 4.35Å; Y47-Q51 WeakPolarHBondContact O-CB 3.43Å; Y47-Q51 WeakPolarHBondContact O-CG 3.44Å; Y47-Q51 PolarHBondContact O-N 3.24Å; Q51-W55 WeakPolarHBondContact O-CB 3.18Å; Q51-W55 PolarHBondContact O-N 3.28Å
52	T	55.1	Low	55.8	Low	70 Å²	70	95 Å²	95	43%	0.429	45%	0.45	S	S	.	.	H	α-helix	trans	-69.8	-39.2	176.2	-56.9	0	0	0	0	111.3	Q48 E49 E50 W55 I56	Q48-T52 VanDerWaalsContact O-CB 3.29Å; Q48-T52 WeakPolarHBondContact O-CB 3.01Å; Q48-T52 PolarHBondContact O-N 3.24Å; Q48-T52 PolarHBondContact O-OG1 3.25Å; E49-T52 PolarHBondContact O-N 3.07Å; E50-T52 VanDerWaalsContact C-N 3.32Å; E50-T52 PolarHBondContact O-N 2.73Å; T52-W55 WeakPolarHBondContact O-CB 3.49Å; T52-W55 PolarHBondContact O-N 3.42Å; T52-I56 HydrophobicContact CG2-CD1 4.19Å; T52-I56 VanDerWaalsContact O-CG1 3.29Å; T52-I56 WeakPolarHBondContact O-CG1 3.26Å; T52-I56 PolarHBondContact O-N 3.47Å
53	T	56.4	Low	54.4	Low	72 Å²	72	97 Å²	97	44%	0.442	47%	0.471	S	S	.	.	H	α-helix	trans	-74.1	-34.2	176.7	48.6	0	0	0	0	113.1	E49 E50 K57	E49-T53 PolarHBondContact O-N 3.19Å; E49-T53 PolarHBondContact O-OG1 3.49Å; E50-T53 WeakPolarHBondContact CA-OG1 3.1Å; E50-T53 PolarHBondContact O-N 3.42Å; E50-T53 PolarHBondContact O-OG1 3.1Å; T53-K57 WeakPolarHBondContact O-CB 3.27Å; T53-K57 VanDerWaalsContact O-CG 3.27Å; T53-K57 WeakPolarHBondContact O-CG 3.14Å; T53-K57 PolarHBondContact O-N 2.89Å; T53-K57 VanDerWaalsContact O-N 3.1Å
54	E	53.2	Low	53.1	Low	90 Å²	90	103.7 Å²	103.7	42%	0.421	49%	0.493	S	S	.	.	H	α-helix	trans	-59.6	-46.6	164.7	-101.2	-78.3	112.4	0	0	111.4	E50 I56 K57 H58	E50-E54 WeakPolarHBondContact O-CB 3.13Å; E50-E54 PolarHBondContact O-N 2.86Å; E54-I56 PolarHBondContact O-N 2.86Å; E54-K57 PolarHBondContact O-N 3.35Å; E54-H58 WeakPolarHBondContact O-CB 3.4Å; E54-H58 PolarHBondContact O-N 3.06Å; E54-H58 IonicContact OE2-CD2 3.75Å; E54-H58 IonicContact OE2-NE2 2.76Å
55	W	44	Very low	51.9	Low	156 Å²	156	110.6 Å²	110.6	59%	0.591	53%	0.528	S	S	*	.	H	α-helix	trans	-61.4	-43.6	179.3	177.8	72.5	0	0	0	112.6	Q51 T52 H58 L59	Q51-W55 WeakPolarHBondContact O-CB 3.18Å; Q51-W55 PolarHBondContact O-N 3.28Å; T52-W55 WeakPolarHBondContact O-CB 3.49Å; T52-W55 PolarHBondContact O-N 3.42Å; W55-H58 PolarHBondContact O-N 2.93Å; W55-L59 HydrophobicContact CD2-CD1 3.82Å; W55-L59 HydrophobicContact CD2-CG 4.49Å; W55-L59 HydrophobicContact CE3-CD1 4.05Å; W55-L59 HydrophobicContact CH2-CD1 3.75Å; W55-L59 HydrophobicContact CZ2-CD1 3.51Å; W55-L59 HydrophobicContact CZ3-CD1 4.01Å; W55-L59 WeakPolarHBondContact O-CG 3.26Å; W55-L59 PolarHBondContact O-N 3.48Å
56	I	53.5	Low	50.3	Low	65 Å²	65	112 Å²	112	33%	0.333	53%	0.534	S	S	.	.	H	α-helix	trans	-60.7	-48.6	173.7	-68.9	163.8	0	0	0	110.5	T52 E54 H58 L59 D60	T52-I56 HydrophobicContact CG2-CD1 4.19Å; T52-I56 VanDerWaalsContact O-CG1 3.29Å; T52-I56 WeakPolarHBondContact O-CG1 3.26Å; T52-I56 PolarHBondContact O-N 3.47Å; E54-I56 PolarHBondContact O-N 2.86Å; I56-H58 PolarHBondContact O-N 3.01Å; I56-L59 PolarHBondContact O-N 2.85Å; I56-D60 PolarHBondContact O-N 3.21Å; I56-D60 VanDerWaalsContact O-N 3.07Å
57	K	55.8	Low	48.8	Very low	127 Å²	127	115.6 Å²	115.6	55%	0.552	56%	0.555	S	S	*	*	H	α-helix	trans	-59.9	-32.6	176.2	-73.3	168.5	-176.8	168.6	0	113.2	T53 E54 K61	T53-K57 WeakPolarHBondContact O-CB 3.27Å; T53-K57 VanDerWaalsContact O-CG 3.27Å; T53-K57 WeakPolarHBondContact O-CG 3.14Å; T53-K57 PolarHBondContact O-N 2.89Å; T53-K57 VanDerWaalsContact O-N 3.1Å; E54-K57 PolarHBondContact O-N 3.35Å; K57-K61 WeakPolarHBondContact O-CG 3.24Å
58	H	46.7	Very low	47.5	Very low	94 Å²	94	120.3 Å²	120.3	44%	0.435	57%	0.574	S	S	.	*	H	α-helix	trans	-81.1	-34.1	178.7	-102.2	-68.2	0	0	0	113.1	E54 W55 I56 K61 S62	E54-H58 WeakPolarHBondContact O-CB 3.4Å; E54-H58 PolarHBondContact O-N 3.06Å; E54-H58 IonicContact OE2-CD2 3.75Å; E54-H58 IonicContact OE2-NE2 2.76Å; W55-H58 PolarHBondContact O-N 2.93Å; I56-H58 PolarHBondContact O-N 3.01Å; H58-K61 PolarHBondContact O-N 2.85Å; H58-S62 PolarHBondContact O-N 3.06Å; H58-S62 PolarHBondContact O-OG 2.97Å
59	L	44.8	Very low	46.4	Very low	84 Å²	84	123.1 Å²	123.1	44%	0.44	58%	0.584	S	S	.	*	H	α-helix	trans	-62.5	-49.1	171.5	-81.3	174.7	0	0	0	111.5	W55 I56 K61 S62	W55-L59 HydrophobicContact CD2-CD1 3.82Å; W55-L59 HydrophobicContact CD2-CG 4.49Å; W55-L59 HydrophobicContact CE3-CD1 4.05Å; W55-L59 HydrophobicContact CH2-CD1 3.75Å; W55-L59 HydrophobicContact CZ2-CD1 3.51Å; W55-L59 HydrophobicContact CZ3-CD1 4.01Å; W55-L59 WeakPolarHBondContact O-CG 3.26Å; W55-L59 PolarHBondContact O-N 3.48Å; I56-L59 PolarHBondContact O-N 2.85Å; L59-K61 PolarHBondContact O-N 3Å; L59-K61 VanDerWaalsContact O-N 3.08Å; L59-S62 CarbonylContact O-C 3.57Å; L59-S62 PolarHBondContact O-N 3.26Å
60	D	52	Low	45.1	Very low	145 Å²	145	124.2 Å²	124.2	78%	0.775	60%	0.598	S	S	*	*	H	α-helix	trans	-56.4	-27.2	176.5	-91.4	0.4	0	0	0	113	I56	I56-D60 PolarHBondContact O-N 3.21Å; I56-D60 VanDerWaalsContact O-N 3.07Å
61	K	49.2	Very low	43.9	Very low	182 Å²	182	121.7 Å²	121.7	79%	0.791	59%	0.592	S	S	*	*	H	α-helix	trans	-94.5	-12.5	178.5	-72.2	-178.7	179.5	179	0	114.7	K57 H58 L59	K57-K61 WeakPolarHBondContact O-CG 3.24Å; H58-K61 PolarHBondContact O-N 2.85Å; L59-K61 PolarHBondContact O-N 3Å; L59-K61 VanDerWaalsContact O-N 3.08Å
62	S	36.1	Very low	43.3	Very low	35 Å²	35	121.7 Å²	121.7	25%	0.245	60%	0.6	C	S	.	*			trans	-144.5	103.5	-172.9	61.9	0	0	0	0	114.4	H58 L59 R64	H58-S62 PolarHBondContact O-N 3.06Å; H58-S62 PolarHBondContact O-OG 2.97Å; L59-S62 CarbonylContact O-C 3.57Å; L59-S62 PolarHBondContact O-N 3.26Å; S62-R64 PolarHBondContact O-N 3.33Å
63	N	40.2	Very low	42.8	Very low	180 Å²	180	125.9 Å²	125.9	96%	0.963	61%	0.609	S	S	*	*	S	Bend	trans	-68.9	36	168	-93.6	-20.3	0	0	0	113.3
64	R	34.6	Very low	42.3	Very low	216 Å²	216	127.7 Å²	127.7	82%	0.815	62%	0.616	S	S	*	*	S	Bend	trans	-140	131.4	177.1	-68.2	-170.4	179.4	-171.4	0.8	110.4	S62 I66	S62-R64 PolarHBondContact O-N 3.33Å; R64-I66 PolarHBondContact O-N 2.83Å
65	I	35.2	Very low	42.1	Very low	176 Å²	176	127 Å²	127	90%	0.903	62%	0.62	S	S	*	*			trans	-65.2	115.9	-178.2	-58.6	168.2	0	0	0	109.5
66	I	34	Very low	42.1	Very low	107 Å²	107	121.9 Å²	121.9	55%	0.549	60%	0.604	S	S	.	*			trans	-96.1	122.8	170.5	-58.7	176.5	0	0	0	108.2	R64 Y68	R64-I66 PolarHBondContact O-N 2.83Å; I66-Y68 HydrophobicContact CG2-CD2 4.22Å; I66-Y68 PolarHBondContact O-N 3.38Å
67	D	33.2	Very low	41.8	Very low	146 Å²	146	123.9 Å²	123.9	78%	0.781	61%	0.608	S	S	*	*			trans	-84.7	99	178.8	-174.1	25.4	0	0	0	110.2
68	Y	33.3	Very low	41.7	Very low	173 Å²	173	125 Å²	125	68%	0.678	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-93.3	117.8	-175.9	-130.4	-77	0	0	0	111.5	I66	I66-Y68 HydrophobicContact CG2-CD2 4.22Å; I66-Y68 PolarHBondContact O-N 3.38Å
69	K	36.7	Very low	41.7	Very low	175 Å²	175	129 Å²	129	76%	0.761	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-81.4	122.3	172.1	-71.8	180	179.8	172.9	0	110
70	T	35.4	Very low	41.8	Very low	130 Å²	130	125.5 Å²	125.5	80%	0.798	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-52.9	128.3	172.1	47.6	0	0	0	0	111
71	P	37.8	Very low	41.7	Very low	63 Å²	63	121.2 Å²	121.2	41%	0.409	59%	0.585	S	S	.	*	P	Polyproline II helix	trans	-55.9	146.9	173.2	-25.4	34.6	0	0	0	112	C75	P71-C75 HydrophobicContact CB-CB 4.43Å
72	S	42.7	Very low	41.7	Very low	70 Å²	70	118.1 Å²	118.1	49%	0.49	58%	0.577	S	S	.	*	P	Polyproline II helix	trans	-68	153.8	176.6	66.7	0	0	0	0	111.4	D74 C75 L76	S72-D74 PolarHBondContact O-N 3.38Å; S72-D74 VanDerWaalsContact O-N 3.17Å; S72-C75 WeakPolarHBondContact O-CB 3.49Å; S72-C75 PolarHBondContact O-N 3.47Å; S72-L76 PolarHBondContact O-N 3.39Å
73	Y	43.4	Very low	42.3	Very low	157 Å²	157	117.4 Å²	117.4	62%	0.616	58%	0.575	S	S	*	*	H	α-helix	trans	-52.6	-38.1	179.5	-171.2	-89.9	0	0	0	112.8	C75 L76 Y77	Y73-C75 VanDerWaalsContact C-N 3.34Å; Y73-C75 PolarHBondContact O-N 3.22Å; Y73-L76 PolarHBondContact O-N 3.01Å; Y73-Y77 WeakPolarHBondContact O-CB 3.16Å; Y73-Y77 PolarHBondContact O-N 2.94Å
74	D	46.4	Very low	42.4	Very low	111 Å²	111	111.4 Å²	111.4	59%	0.594	54%	0.542	S	S	*	.	H	α-helix	trans	-63.7	-33.5	177.5	-74.8	-11.3	0	0	0	113.6	S72 K78	S72-D74 PolarHBondContact O-N 3.38Å; S72-D74 VanDerWaalsContact O-N 3.17Å; D74-K78 WeakPolarHBondContact O-CB 3.45Å; D74-K78 WeakPolarHBondContact O-CG 3.43Å; D74-K78 PolarHBondContact O-N 3.39Å
75	C	49.7	Very low	42.8	Very low	75 Å²	75	109.1 Å²	109.1	51%	0.507	54%	0.538	S	S	.	.	H	α-helix	trans	-68.9	-47.1	175.9	-76.9	0	0	0	0	111	P71 S72 Y73 Y77 K78 Y79	P71-C75 HydrophobicContact CB-CB 4.43Å; S72-C75 WeakPolarHBondContact O-CB 3.49Å; S72-C75 PolarHBondContact O-N 3.47Å; Y73-C75 VanDerWaalsContact C-N 3.34Å; Y73-C75 PolarHBondContact O-N 3.22Å; C75-Y77 PolarHBondContact O-N 2.85Å; C75-K78 PolarHBondContact O-N 3.43Å; C75-Y79 WeakPolarHBondContact O-CB 3.23Å; C75-Y79 PolarHBondContact O-N 3.31Å
76	L	44.1	Very low	43	Very low	48 Å²	48	106 Å²	106	25%	0.251	53%	0.528	S	S	.	.	H	α-helix	trans	-58.4	-48.6	175.6	-70	165.2	0	0	0	110.5	Y47 S72 Y73 K78 Y79 T80	Y47-L76 HydrophobicContact CD1-CD2 3.72Å; Y47-L76 HydrophobicContact CE1-CD2 3.71Å; S72-L76 PolarHBondContact O-N 3.39Å; Y73-L76 PolarHBondContact O-N 3.01Å; L76-K78 PolarHBondContact O-N 3.48Å; L76-Y79 PolarHBondContact O-N 3.36Å; L76-T80 PolarHBondContact O-N 3.15Å; L76-T80 PolarHBondContact O-OG1 3.09Å
77	Y	47.3	Very low	43.2	Very low	107 Å²	107	108.3 Å²	108.3	42%	0.42	53%	0.534	S	S	.	.	H	α-helix	trans	-61.3	-44	-179.6	-171.5	-105.8	0	0	0	113.4	F40 Y73 C75 L81	F40-Y77 HydrophobicContact CE2-CD2 4.1Å; Y73-Y77 WeakPolarHBondContact O-CB 3.16Å; Y73-Y77 PolarHBondContact O-N 2.94Å; C75-Y77 PolarHBondContact O-N 2.85Å; Y77-L81 HydrophobicContact CD1-CD1 3.87Å; Y77-L81 HydrophobicContact CE1-CD1 3.37Å; Y77-L81 HydrophobicContact CE1-CG 4.34Å; Y77-L81 PolarHBondContact O-N 2.86Å
78	K	52.3	Low	43	Very low	151 Å²	151	109.6 Å²	109.6	66%	0.657	54%	0.535	S	S	*	.	H	α-helix	trans	-64.1	-41.8	175.4	-80.9	-177.5	175.9	179.3	0	112.7	D74 C75 L76 L81 N82	D74-K78 WeakPolarHBondContact O-CB 3.45Å; D74-K78 WeakPolarHBondContact O-CG 3.43Å; D74-K78 PolarHBondContact O-N 3.39Å; C75-K78 PolarHBondContact O-N 3.43Å; L76-K78 PolarHBondContact O-N 3.48Å; K78-L81 PolarHBondContact O-N 3.16Å; K78-N82 PolarHBondContact O-N 2.89Å; K78-N82 VanDerWaalsContact O-N 3.11Å
79	Y	48	Very low	42.8	Very low	178 Å²	178	109.2 Å²	109.2	70%	0.698	54%	0.543	S	S	*	.	H	α-helix	trans	-65.2	-43.8	-179.4	-152.8	-87.2	0	0	0	111	C75 L76 N82 G83	C75-Y79 WeakPolarHBondContact O-CB 3.23Å; C75-Y79 PolarHBondContact O-N 3.31Å; L76-Y79 PolarHBondContact O-N 3.36Å; Y79-N82 PolarHBondContact O-N 3.45Å; Y79-G83 PolarHBondContact O-N 2.82Å; Y79-G83 VanDerWaalsContact O-N 3.1Å
80	T	47.1	Very low	42.3	Very low	11 Å²	11	111 Å²	111	7%	0.067	55%	0.545	C	S	.	.	H	α-helix	trans	-64.7	-40.3	176.6	-45.4	0	0	0	0	112.6	F40 F43 L76 G83 M84	F40-T80 HydrophobicContact CD2-CG2 3.8Å; F40-T80 HydrophobicContact CE2-CG2 4.46Å; F43-T80 HydrophobicContact CB-CG2 3.9Å; F43-T80 HydrophobicContact CD2-CG2 4.42Å; F43-T80 HydrophobicContact CG-CG2 4.19Å; L76-T80 PolarHBondContact O-N 3.15Å; L76-T80 PolarHBondContact O-OG1 3.09Å; T80-G83 PolarHBondContact O-N 3.15Å; T80-M84 WeakPolarHBondContact O-CG 3.46Å; T80-M84 PolarHBondContact O-N 3.21Å
81	L	48.6	Very low	41.9	Very low	55 Å²	55	110.6 Å²	110.6	29%	0.288	54%	0.544	S	S	.	.	H	α-helix	trans	-60.6	-45.1	175.2	-86.5	170.5	0	0	0	112.1	Y77 K78 G83 M84 F85	Y77-L81 HydrophobicContact CD1-CD1 3.87Å; Y77-L81 HydrophobicContact CE1-CD1 3.37Å; Y77-L81 HydrophobicContact CE1-CG 4.34Å; Y77-L81 PolarHBondContact O-N 2.86Å; K78-L81 PolarHBondContact O-N 3.16Å; L81-G83 VanDerWaalsContact C-N 3.31Å; L81-G83 PolarHBondContact O-N 2.84Å; L81-M84 WeakPolarHBondContact O-CB 3.26Å; L81-M84 PolarHBondContact O-N 3.42Å; L81-M84 VanDerWaalsContact O-N 3.13Å; L81-F85 HydrophobicContact CD2-CE2 4.01Å; L81-F85 WeakPolarHBondContact O-CD2 3.49Å; L81-F85 PolarHBondContact O-N 2.91Å
82	N	50.4	Low	41.4	Very low	116 Å²	116	114 Å²	114	62%	0.62	56%	0.564	S	S	*	*	H	α-helix	trans	-60.7	-40.8	176.5	-76.2	-5.7	0	0	0	111.7	K78 Y79 M84 F85	K78-N82 PolarHBondContact O-N 2.89Å; K78-N82 VanDerWaalsContact O-N 3.11Å; Y79-N82 PolarHBondContact O-N 3.45Å; N82-M84 VanDerWaalsContact C-N 3.31Å; N82-M84 PolarHBondContact O-N 3.34Å; N82-F85 PolarHBondContact O-N 3.37Å
83	G	48.5	Very low	40.8	Very low	21 Å²	21	117.5 Å²	117.5	22%	0.216	58%	0.582	C	S	.	*	H	α-helix	trans	-68.4	-23	175	0	0	0	0	0	114.9	Y79 T80 L81 T86	Y79-G83 PolarHBondContact O-N 2.82Å; Y79-G83 VanDerWaalsContact O-N 3.1Å; T80-G83 PolarHBondContact O-N 3.15Å; L81-G83 VanDerWaalsContact C-N 3.31Å; L81-G83 PolarHBondContact O-N 2.84Å; G83-T86 PolarHBondContact O-OG1 2.69Å
84	M	42.1	Very low	39.9	Very low	54 Å²	54	119.6 Å²	119.6	27%	0.266	59%	0.594	S	S	.	*	H	α-helix	trans	-74.9	-35.2	174.5	-78.3	-179.9	154.3	0	0	112.8	I36 N39 T80 L81 N82	I36-M84 HydrophobicContact CG2-CE 4.38Å; N39-M84 HydrophobicContact CB-CE 3.51Å; T80-M84 WeakPolarHBondContact O-CG 3.46Å; T80-M84 PolarHBondContact O-N 3.21Å; L81-M84 WeakPolarHBondContact O-CB 3.26Å; L81-M84 PolarHBondContact O-N 3.42Å; L81-M84 VanDerWaalsContact O-N 3.13Å; N82-M84 VanDerWaalsContact C-N 3.31Å; N82-M84 PolarHBondContact O-N 3.34Å
85	F	42.7	Very low	39.1	Very low	168 Å²	168	120 Å²	120	74%	0.737	61%	0.606	S	S	*	*	H	α-helix	trans	-83.2	-15.9	-175.9	-70.1	-64	0	0	0	114.7	L81 N82	L81-F85 HydrophobicContact CD2-CE2 4.01Å; L81-F85 WeakPolarHBondContact O-CD2 3.49Å; L81-F85 PolarHBondContact O-N 2.91Å; N82-F85 PolarHBondContact O-N 3.37Å
86	T	39.5	Very low	37.9	Very low	111 Å²	111	121.5 Å²	121.5	68%	0.681	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	-7.6	-179.3	51.3	0	0	0	0	114.6	G83 E88	G83-T86 PolarHBondContact O-OG1 2.69Å; T86-E88 PolarHBondContact O-N 3.08Å
87	K	37.8	Very low	37	Very low	155 Å²	155	128.2 Å²	128.2	67%	0.674	65%	0.645	S	S	*	*	S	Bend	trans	-79.9	97.2	171.3	-76.1	-169.6	175.1	-176.2	0	110.3	I89	K87-I89 PolarHBondContact O-N 2.98Å; K87-I89 VanDerWaalsContact O-N 3.1Å
88	E	30.2	Very low	36.1	Very low	173 Å²	173	128.5 Å²	128.5	81%	0.808	66%	0.663	S	S	*	*			trans	-51.5	114.7	171.2	-70	-171.3	146.7	0	0	111.3	T86 R90	T86-E88 PolarHBondContact O-N 3.08Å; E88-R90 PolarHBondContact O-N 3.01Å
89	I	28.7	Very low	34.6	Very low	165 Å²	165	129 Å²	129	85%	0.846	67%	0.672	S	S	*	*			trans	-75.5	91.2	175.9	-57	174.6	0	0	0	107.7	K87	K87-I89 PolarHBondContact O-N 2.98Å; K87-I89 VanDerWaalsContact O-N 3.1Å
90	R	26	Very low	33.7	Very low	213 Å²	213	126 Å²	126	80%	0.804	68%	0.675	S	S	*	*			trans	-58.5	127.2	175.2	-72.4	-172.3	175	-169.9	-0.8	110	E88 T92	E88-R90 PolarHBondContact O-N 3.01Å; R90-T92 PolarHBondContact O-N 3.46Å
91	P	27.2	Very low	32.6	Very low	121 Å²	121	134.7 Å²	134.7	79%	0.786	71%	0.711	S	S	*	*			trans	-68.3	122.2	-176.3	-17.6	30.1	0	0	0	111.5	V93	P91-V93 PolarHBondContact O-N 3.07Å; P91-V93 VanDerWaalsContact O-N 3.16Å
92	T	27.2	Very low	31.8	Very low	134 Å²	134	139.8 Å²	139.8	82%	0.822	74%	0.737	S	S	*	*			trans	-66.2	111.4	171.9	48.6	0	0	0	0	110.3	R90 K94	R90-T92 PolarHBondContact O-N 3.46Å; T92-K94 PolarHBondContact O-N 3.26Å
93	V	28.7	Very low	30.7	Very low	143 Å²	143	141.4 Å²	141.4	87%	0.867	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-60.5	130.3	173.8	177.8	0	0	0	0	109.5	P91	P91-V93 PolarHBondContact O-N 3.07Å; P91-V93 VanDerWaalsContact O-N 3.16Å
94	K	26.3	Very low	29.5	Very low	201 Å²	201	149.4 Å²	149.4	87%	0.874	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-76.1	144	-176.9	-77.3	-176.5	176.2	179.2	0	112.5	T92	T92-K94 PolarHBondContact O-N 3.26Å
95	S	28.1	Very low	28.8	Very low	121 Å²	121	155.8 Å²	155.8	85%	0.846	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-62.5	142.5	179.3	46.2	0	0	0	0	115.5
96	S	24.7	Very low	28.1	Very low	106 Å²	106	156.1 Å²	156.1	74%	0.741	81%	0.808	S	S	*	*			trans	-160.6	139.3	147.7	81	0	0	0	0	106.2
97	K	26.1	Very low	27.6	Very low	188 Å²	188	156.2 Å²	156.2	82%	0.817	81%	0.813	S	S	*	*			cis	-146.6	-178.6	17.7	-69.5	177.7	176.2	171.8	0	111.9
98	S	27.5	Very low	27	Very low	114 Å²	114	156.5 Å²	156.5	80%	0.797	82%	0.822	S	S	*	*			trans	69.2	90.2	157.6	51.3	0	0	0	0	119.9
99	N	21.8	Very low	26.8	Very low	160 Å²	160	155.7 Å²	155.7	86%	0.856	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-66	138.3	146.9	-72.3	-6.5	0	0	0	110.7
100	P	28.2	Very low	26.8	Very low	116 Å²	116	153.8 Å²	153.8	75%	0.753	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-86.5	142.1	141.4	31.5	-23.4	0	0	0	109.9
101	K	25.6	Very low	27	Very low	193 Å²	193	151.6 Å²	151.6	84%	0.839	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-76.5	137.9	176.2	-60.5	173	180	177.9	0	109.8
102	I	29.8	Very low	26.9	Very low	162 Å²	162	153.2 Å²	153.2	83%	0.831	83%	0.829	S	S	*	*			trans	-131.3	127.3	158.1	-61.6	-178.6	0	0	0	106.1
103	D	28.7	Very low	26.9	Very low	151 Å²	151	155.2 Å²	155.2	81%	0.807	84%	0.835	S	S	*	*			trans	-76	129.2	-166.5	-68.2	-67.2	0	0	0	113
104	E	23.4	Very low	26.9	Very low	188 Å²	188	153.2 Å²	153.2	88%	0.879	83%	0.833	S	S	*	*			trans	-69.5	127.7	161.5	-64.3	178.2	137.8	0	0	109.4
105	K	27.4	Very low	26.9	Very low	189 Å²	189	151.7 Å²	151.7	82%	0.822	83%	0.834	S	S	*	*			trans	-160.8	123.8	148	-110.7	161.6	-171	176.7	0	114
106	Q	27	Very low	26.8	Very low	174 Å²	174	154.7 Å²	154.7	81%	0.813	84%	0.838	S	S	*	*			trans	100.7	134.2	141.6	-71	173.5	-18.3	0	0	121.8
107	S	29.3	Very low	27	Very low	114 Å²	114	153.4 Å²	153.4	80%	0.797	84%	0.842	S	S	*	*			trans	65.7	70.6	155.7	49.5	0	0	0	0	119.2
108	N	25	Very low	27	Very low	160 Å²	160	150.4 Å²	150.4	86%	0.856	85%	0.845	S	S	*	*			trans	-76.7	113.4	132.7	-81.8	-35.3	0	0	0	108.1
109	D	26.6	Very low	26.8	Very low	157 Å²	157	148.3 Å²	148.3	84%	0.84	84%	0.841	S	S	*	*			trans	175.7	96.3	152.7	-95.1	-24.1	0	0	0	109.4
110	S	28.3	Very low	27.1	Very low	125 Å²	125	150.3 Å²	150.3	87%	0.874	84%	0.842	S	S	*	*			trans	174.5	39.9	158.5	-82.3	0	0	0	0	114.9
111	I	30.4	Very low	27	Very low	166 Å²	166	152.2 Å²	152.2	85%	0.851	85%	0.846	S	S	*	*			trans	-135.9	64.2	167.8	-44.2	178.3	0	0	0	111
112	N	25.9	Very low	26.9	Very low	156 Å²	156	152.7 Å²	152.7	83%	0.834	85%	0.848	S	S	*	*			trans	-159.5	81.2	165.6	-95.1	-37.8	0	0	0	109.1
113	N	26.7	Very low	26.7	Very low	176 Å²	176	149.2 Å²	149.2	94%	0.941	84%	0.836	S	S	*	*			trans	176.9	76.2	156.8	-91.3	-25.1	0	0	0	111.3
114	A	29	Very low	26.5	Very low	100 Å²	100	152.6 Å²	152.6	83%	0.826	84%	0.839	S	S	*	*			trans	-153.4	43.8	170.7	0	0	0	0	0	112.4
115	L	25.7	Very low	26.6	Very low	170 Å²	170	153.4 Å²	153.4	89%	0.89	84%	0.836	S	S	*	*			trans	-135.1	79.8	177.4	-82.5	172	0	0	0	111
116	I	25.3	Very low	26.3	Very low	183 Å²	183	149.8 Å²	149.8	94%	0.938	83%	0.834	S	S	*	*			trans	-162.5	115.9	149.6	-87.4	130.8	0	0	0	105.9
117	G	29.3	Very low	26.2	Very low	80 Å²	80	147.1 Å²	147.1	83%	0.825	82%	0.824	S	S	*	*			trans	-169.2	94.4	-178.3	0	0	0	0	0	109.9
118	S	25.5	Very low	26.1	Very low	125 Å²	125	146.7 Å²	146.7	87%	0.874	81%	0.813	S	S	*	*			trans	-94.1	134.8	-167.6	48.8	0	0	0	0	113.4
119	G	24.3	Very low	26.2	Very low	70 Å²	70	143.7 Å²	143.7	72%	0.722	80%	0.795	S	S	*	*			trans	106.6	124.1	143.7	0	0	0	0	0	118.6
120	K	26.9	Very low	26.3	Very low	201 Å²	201	139 Å²	139	87%	0.874	77%	0.774	S	S	*	*			trans	60.6	72.7	146.3	-55.1	-178.1	-176.6	176.9	0	118.2
121	N	27.1	Very low	26.4	Very low	157 Å²	157	140.2 Å²	140.2	84%	0.84	77%	0.766	S	S	*	*				-171.7	128.6	112	-92.7	-21.8	0	0	0	108.4	P123	N121-P123 WeakPolarHBondContact O-CD 3.06Å
122	K	24.1	Very low	26.5	Very low	202 Å²	202	138.8 Å²	138.8	88%	0.878	75%	0.754	S	S	*	*			trans	-76.3	111.9	170.4	-74	-176.4	175.9	-176.6	0	107	Y124	K122-Y124 PolarHBondContact O-N 3.31Å
123	P	25.2	Very low	26.6	Very low	89 Å²	89	138.5 Å²	138.5	58%	0.578	75%	0.752	S	S	*	*			trans	-67	130.2	172.6	29.7	-32.4	0	0	0	107.8	N121 Y125	N121-P123 WeakPolarHBondContact O-CD 3.06Å; P123-Y125 PolarHBondContact O-N 2.99Å
124	Y	23.8	Very low	26.6	Very low	223 Å²	223	134.5 Å²	134.5	88%	0.875	74%	0.738	S	S	*	*			trans	-63.2	118.7	158.3	-90.4	-104.1	0	0	0	106.5	K122 S126	K122-Y124 PolarHBondContact O-N 3.31Å; Y124-S126 PolarHBondContact O-N 3.47Å
125	Y	25	Very low	26.6	Very low	205 Å²	205	133.9 Å²	133.9	80%	0.804	73%	0.733	S	S	*	*			trans	-72	79.1	172.5	-73.5	-86.6	0	0	0	109.3	P123 I127	P123-Y125 PolarHBondContact O-N 2.99Å; Y125-I127 PolarHBondContact O-N 3.09Å
126	S	21.9	Very low	26.7	Very low	112 Å²	112	130.5 Å²	130.5	78%	0.783	72%	0.721	S	S	*	*			trans	-72.1	87.1	157.4	56.4	0	0	0	0	107.5	Y124 D128	Y124-S126 PolarHBondContact O-N 3.47Å; S126-D128 PolarHBondContact O-N 3.43Å
127	I	25.9	Very low	26.9	Very low	119 Å²	119	127.4 Å²	127.4	61%	0.61	71%	0.713	S	S	*	*			trans	-65.8	122.9	167.6	-62.2	175.4	0	0	0	106.4	Y125 M129 F132	Y125-I127 PolarHBondContact O-N 3.09Å; I127-M129 PolarHBondContact O-N 3.47Å; I127-M129 VanDerWaalsContact O-N 3.12Å; I127-F132 HydrophobicContact CG2-CE2 4.33Å
128	D	25.9	Very low	26.9	Very low	104 Å²	104	131.4 Å²	131.4	56%	0.556	70%	0.703	S	S	*	*			trans	-66.8	111.7	176.7	179.1	12.6	0	0	0	109.5	S126 S130	S126-D128 PolarHBondContact O-N 3.43Å; D128-S130 PolarHBondContact O-N 2.98Å; D128-S130 VanDerWaalsContact OD1-CB 3.25Å; D128-S130 WeakPolarHBondContact OD1-CB 3.47Å; D128-S130 PolarHBondContact OD1-N 3.06Å; D128-S130 PolarHBondContact OD1-OG 3.08Å; D128-S130 VanDerWaalsContact OD1-OG 3.12Å; D128-S130 WeakPolarHBondContact OD2-CB 3.3Å; D128-S130 PolarHBondContact OD2-OG 3.5Å
129	M	27.7	Very low	27	Very low	98 Å²	98	129.9 Å²	129.9	48%	0.483	69%	0.692	S	S	.	*	G	3₁₀ helix	trans	-71.4	-8.1	-178	-68.1	-72.8	-74.4	0	0	112.9	I127 H131 F132	I127-M129 PolarHBondContact O-N 3.47Å; I127-M129 VanDerWaalsContact O-N 3.12Å; M129-H131 PolarHBondContact O-N 3.39Å; M129-H131 VanDerWaalsContact O-N 3.15Å; M129-F132 PolarHBondContact O-N 3.21Å; M129-F132 HydrophobicContact SD-CD2 4.37Å
130	S	29.3	Very low	27.2	Very low	57 Å²	57	131.2 Å²	131.2	40%	0.399	69%	0.691	S	S	.	*	G	3₁₀ helix	trans	-51.6	-37.5	179.3	65.9	0	0	0	0	113.1	D128 F132	D128-S130 PolarHBondContact O-N 2.98Å; D128-S130 VanDerWaalsContact OD1-CB 3.25Å; D128-S130 WeakPolarHBondContact OD1-CB 3.47Å; D128-S130 PolarHBondContact OD1-N 3.06Å; D128-S130 PolarHBondContact OD1-OG 3.08Å; D128-S130 VanDerWaalsContact OD1-OG 3.12Å; D128-S130 WeakPolarHBondContact OD2-CB 3.3Å; D128-S130 PolarHBondContact OD2-OG 3.5Å; S130-F132 VanDerWaalsContact C-N 3.28Å; S130-F132 PolarHBondContact O-N 2.98Å
131	H	29.8	Very low	27.3	Very low	151 Å²	151	130.2 Å²	130.2	70%	0.699	69%	0.689	S	S	*	*	G	3₁₀ helix	trans	-75.6	-9.7	-176.6	-70	65	0	0	0	114.2	M129	M129-H131 PolarHBondContact O-N 3.39Å; M129-H131 VanDerWaalsContact O-N 3.15Å
132	F	31.8	Very low	27.3	Very low	137 Å²	137	130.5 Å²	130.5	60%	0.601	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-97.6	-4.6	179	-70.7	-78.6	0	0	0	114.1	I127 M129 S130 S134	I127-F132 HydrophobicContact CG2-CE2 4.33Å; M129-F132 PolarHBondContact O-N 3.21Å; M129-F132 HydrophobicContact SD-CD2 4.37Å; S130-F132 VanDerWaalsContact C-N 3.28Å; S130-F132 PolarHBondContact O-N 2.98Å; F132-S134 VanDerWaalsContact C-N 3.3Å; F132-S134 PolarHBondContact O-N 3.34Å
133	N	28.8	Very low	27.4	Very low	150 Å²	150	128.6 Å²	128.6	80%	0.802	68%	0.683	S	S	*	*	S	Bend	trans	-81.6	-2	-179	-79.8	-23.2	0	0	0	114.6
134	S	27.4	Very low	27.4	Very low	91 Å²	91	129.3 Å²	129.3	64%	0.636	69%	0.69	S	S	*	*			trans	-129.5	77.3	174.6	60.9	0	0	0	0	111	F132 P136	F132-S134 VanDerWaalsContact C-N 3.3Å; F132-S134 PolarHBondContact O-N 3.34Å; S134-P136 WeakPolarHBondContact O-CD 3.43Å
135	A	28.7	Very low	27.5	Very low	87 Å²	87	126.2 Å²	126.2	72%	0.719	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-63.8	117.6	163.7	0	0	0	0	0	108.2
136	P	26.8	Very low	27.4	Very low	100 Å²	100	124 Å²	124	65%	0.649	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-66.6	147	-176.8	26.7	-33.6	0	0	0	110.6	S134	S134-P136 WeakPolarHBondContact O-CD 3.43Å
137	P	29.3	Very low	27.4	Very low	118 Å²	118	129.2 Å²	129.2	77%	0.766	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-56.5	148.6	166.7	-19.8	32	0	0	0	110	S139	P137-S139 PolarHBondContact O-N 2.78Å
138	W	29.1	Very low	27.4	Very low	164 Å²	164	128.6 Å²	128.6	62%	0.621	70%	0.7	S	S	*	*			trans	-60.9	99.2	-167.8	-69.8	42.6	0	0	0	111.3	Q223	W138-Q223 HydrophobicContact CE3-CG 4.4Å; W138-Q223 HydrophobicContact CH2-CG 3.78Å; W138-Q223 HydrophobicContact CZ3-CG 3.53Å
139	S	28.3	Very low	27.3	Very low	92 Å²	92	132.6 Å²	132.6	64%	0.643	72%	0.716	S	S	*	*			trans	-82.7	127.4	-175.5	51.4	0	0	0	0	111.9	P137 E141	P137-S139 PolarHBondContact O-N 2.78Å; S139-E141 VanDerWaalsContact C-N 3.27Å; S139-E141 PolarHBondContact O-N 2.85Å
140	S	29.4	Very low	27.2	Very low	98 Å²	98	134.7 Å²	134.7	69%	0.685	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	18.8	-164	-46.8	0	0	0	0	116.9	F143	S140-F143 WeakPolarHBondContact O-CD2 3.49Å
141	E	29	Very low	26.9	Very low	181 Å²	181	141 Å²	141	85%	0.846	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.7	-12.2	-163.1	-65.9	-167.9	154.4	0	0	116.3	S139 F143	S139-E141 VanDerWaalsContact C-N 3.27Å; S139-E141 PolarHBondContact O-N 2.85Å; E141-F143 PolarHBondContact O-N 3.32Å
142	D	26.3	Very low	26.7	Very low	163 Å²	163	140.2 Å²	140.2	87%	0.872	75%	0.752	S	S	*	*			trans	-80.9	50.6	173.8	-71.6	-35	0	0	0	112.9
143	F	27.3	Very low	26.5	Very low	162 Å²	162	140.8 Å²	140.8	71%	0.711	76%	0.761	S	S	*	*			trans	-117.2	64.5	-178.1	-82	-82.5	0	0	0	113.5	S140 E141	S140-F143 WeakPolarHBondContact O-CD2 3.49Å; E141-F143 PolarHBondContact O-N 3.32Å
144	S	23.8	Very low	26.3	Very low	104 Å²	104	143.8 Å²	143.8	73%	0.727	77%	0.767	S	S	*	*			trans	-150.3	90.2	157.4	68.6	0	0	0	0	112.6
145	N	25.8	Very low	26.2	Very low	157 Å²	157	148.1 Å²	148.1	84%	0.84	78%	0.777	S	S	*	*			trans	-151.8	127.9	152.9	-101.9	-44.5	0	0	0	112.4	Y147	N145-Y147 PolarHBondContact O-N 2.95Å
146	N	22.6	Very low	26	Very low	159 Å²	159	150 Å²	150	85%	0.85	78%	0.784	S	S	*	*			trans	-71.6	116.3	-170.8	-62.7	-63.8	0	0	0	112
147	Y	23.7	Very low	25.8	Very low	222 Å²	222	151 Å²	151	87%	0.871	79%	0.793	S	S	*	*			trans	-126.5	124.1	151.3	-79.9	-78.5	0	0	0	109	N145 E149	N145-Y147 PolarHBondContact O-N 2.95Å; Y147-E149 PolarHBondContact O-N 3.41Å
148	S	25	Very low	25.7	Very low	105 Å²	105	151 Å²	151	73%	0.734	79%	0.791	S	S	*	*			trans	-61.5	122.1	-169.7	50.6	0	0	0	0	112.4	N150	S148-N150 PolarHBondContact O-N 3.46Å
149	E	24.5	Very low	25.5	Very low	189 Å²	189	151.6 Å²	151.6	88%	0.883	81%	0.806	S	S	*	*			trans	-57.7	114.6	162.5	-62.1	-179.8	137.7	0	0	109.6	Y147	Y147-E149 PolarHBondContact O-N 3.41Å
150	N	24.2	Very low	25.4	Very low	141 Å²	141	155.8 Å²	155.8	75%	0.754	81%	0.813	S	S	*	*			trans	-154.4	137	158.5	-89.2	-49.3	0	0	0	109.5	S148	S148-N150 PolarHBondContact O-N 3.46Å
151	E	24.7	Very low	25.1	Very low	189 Å²	189	160.5 Å²	160.5	88%	0.883	82%	0.824	S	S	*	*			trans	64.1	68.7	163.5	-58	-176.6	166.6	0	0	118.6
152	I	25.2	Very low	24.9	Very low	135 Å²	135	158.3 Å²	158.3	69%	0.692	82%	0.817	S	S	*	*	S	Bend	trans	-135.3	113	143.5	-57.2	-177.6	0	0	0	110.4
153	D	26.2	Very low	25	Very low	149 Å²	149	154.7 Å²	154.7	80%	0.797	80%	0.803	S	S	*	*			trans	32.4	97.1	155.8	-56.3	-21.3	0	0	0	119.6	E155	D153-E155 VanDerWaalsContact C-N 3.33Å; D153-E155 PolarHBondContact O-N 2.82Å
154	K	25.7	Very low	25.1	Very low	214 Å²	214	156.8 Å²	156.8	93%	0.93	81%	0.811	S	S	*	*			trans	-73.9	73.3	164.4	-70.8	-178.2	176.3	176.5	0	112.2
155	E	25.6	Very low	25.5	Very low	181 Å²	181	161.8 Å²	161.8	85%	0.846	82%	0.82	S	S	*	*			trans	-156.1	67.7	167.4	-131.4	171.5	-137.8	0	0	115.6	D153	D153-E155 VanDerWaalsContact C-N 3.33Å; D153-E155 PolarHBondContact O-N 2.82Å
156	C	23.5	Very low	25.6	Very low	127 Å²	127	159.8 Å²	159.8	86%	0.858	81%	0.809	S	S	*	*			trans	-165.4	59.1	153.1	-112.3	0	0	0	0	113.3
157	S	23.7	Very low	26.1	Very low	121 Å²	121	159.8 Å²	159.8	85%	0.846	81%	0.808	S	S	*	*			trans	-105.7	56.3	174.5	41.2	0	0	0	0	112.3
158	T	26.2	Very low	26.5	Very low	119 Å²	119	155.9 Å²	155.9	73%	0.73	80%	0.796	S	S	*	*			trans	-107.2	82.4	168.4	43.7	0	0	0	0	110.8	K160	T158-K160 VanDerWaalsContact C-N 3.27Å; T158-K160 PolarHBondContact O-N 3.41Å
159	N	24.1	Very low	26.8	Very low	175 Å²	175	159.9 Å²	159.9	94%	0.936	80%	0.802	S	S	*	*			trans	-61.2	87.1	166.7	-87.2	-20.6	0	0	0	110.4
160	K	27.2	Very low	27.3	Very low	180 Å²	180	158 Å²	158	78%	0.783	79%	0.794	S	S	*	*			trans	-113	115.9	159.4	-74.9	-172	174.9	-177.4	0	107.8	T158 I162	T158-K160 VanDerWaalsContact C-N 3.27Å; T158-K160 PolarHBondContact O-N 3.41Å; K160-I162 PolarHBondContact O-N 3.06Å
161	Q	23.7	Very low	28.1	Very low	198 Å²	198	158.2 Å²	158.2	93%	0.925	80%	0.8	S	S	*	*			trans	-59.8	109.5	171.1	-73	172.8	-24.6	0	0	108.5
162	I	24.7	Very low	29.4	Very low	134 Å²	134	153.9 Å²	153.9	69%	0.687	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-77.8	128.5	176.4	-62.2	174.4	0	0	0	107.7	K160	K160-I162 PolarHBondContact O-N 3.06Å
163	P	27.6	Very low	31.9	Very low	88 Å²	88	151.4 Å²	151.4	57%	0.571	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-71.8	140.2	-165	-18.7	32.6	0	0	0	113.6	L166	P163-L166 HydrophobicContact CB-CD1 4.35Å; P163-L166 HydrophobicContact CG-CD1 4.43Å
164	K	30.2	Very low	34.6	Very low	206 Å²	206	148.9 Å²	148.9	90%	0.896	75%	0.752	S	S	*	*	S	Bend	trans	-63.8	138.5	168.7	-69.2	178.8	176.8	178.2	0	109.9
165	K	31.1	Very low	37.5	Very low	209 Å²	209	140.1 Å²	140.1	91%	0.909	72%	0.717	S	S	*	*			trans	60.9	70.6	-176.1	-72.3	-173.9	170.3	-176.7	0	114.5	L167	K165-L167 PolarHBondContact O-N 3.23Å
166	L	28.9	Very low	40.5	Very low	114 Å²	114	137.3 Å²	137.3	60%	0.597	70%	0.702	S	S	*	*			trans	-88.3	98	158.8	-126.5	74.2	0	0	0	109.7	P163 F168	P163-L166 HydrophobicContact CB-CD1 4.35Å; P163-L166 HydrophobicContact CG-CD1 4.43Å; L166-F168 HydrophobicContact CB-CD2 4.11Å; L166-F168 HydrophobicContact CD2-CD2 3.68Å; L166-F168 HydrophobicContact CD2-CE2 3.51Å; L166-F168 HydrophobicContact CG-CD2 3.66Å; L166-F168 HydrophobicContact CG-CE2 3.59Å; L166-F168 PolarHBondContact O-N 3.01Å; L166-F168 VanDerWaalsContact O-N 3.13Å
167	L	31.5	Very low	43.7	Very low	159 Å²	159	133.9 Å²	133.9	83%	0.832	68%	0.677	S	S	*	*			trans	-79.5	84.6	178.1	-171	83.6	0	0	0	109.6	K165	K165-L167 PolarHBondContact O-N 3.23Å
168	F	32.3	Very low	47	Very low	141 Å²	141	128.4 Å²	128.4	62%	0.618	64%	0.638	S	S	*	*			trans	-107.6	115.2	178.2	-90.3	-96.7	0	0	0	111.2	L166 E170	L166-F168 HydrophobicContact CB-CD2 4.11Å; L166-F168 HydrophobicContact CD2-CD2 3.68Å; L166-F168 HydrophobicContact CD2-CE2 3.51Å; L166-F168 HydrophobicContact CG-CD2 3.66Å; L166-F168 HydrophobicContact CG-CE2 3.59Å; L166-F168 PolarHBondContact O-N 3.01Å; L166-F168 VanDerWaalsContact O-N 3.13Å; F168-E170 PolarHBondContact O-N 2.95Å
169	H	31.5	Very low	50.2	Low	188 Å²	188	123.6 Å²	123.6	87%	0.87	61%	0.608	S	S	*	*			trans	-81.9	4.3	177.5	-108.2	-71	0	0	0	113.6	V171	H169-V171 PolarHBondContact O-N 3.19Å
170	E	36	Very low	53.5	Low	151 Å²	151	121.7 Å²	121.7	71%	0.706	59%	0.588	S	S	*	*	S	Bend	trans	-71.3	122.6	167.9	-67.2	-172.7	158.3	0	0	108.8	F168 M172	F168-E170 PolarHBondContact O-N 2.95Å; E170-M172 PolarHBondContact O-N 2.94Å
171	V	40.6	Very low	56.6	Low	145 Å²	145	115.1 Å²	115.1	88%	0.879	56%	0.561	S	S	*	*			trans	-60.9	101.1	175.1	179.8	0	0	0	0	108.1	H169 D173	H169-V171 PolarHBondContact O-N 3.19Å; V171-D173 PolarHBondContact O-N 3.48Å
172	M	52.2	Low	60	Low	98 Å²	98	105.8 Å²	105.8	48%	0.483	52%	0.517	S	S	.	.			trans	-61.2	119.3	173.8	-78	-86.3	-75.9	0	0	108.5	E170 E174 K176 T177	E170-M172 PolarHBondContact O-N 2.94Å; M172-E174 PolarHBondContact O-N 2.79Å; M172-K176 HydrophobicContact CE-CB 3.74Å; M172-K176 HydrophobicContact SD-CB 4.25Å; M172-K176 HydrophobicContact SD-CD 4.47Å; M172-T177 WeakPolarHBondContact CB-OG1 3.34Å
173	D	78.5	Confident	63.4	Low	82 Å²	82	105.4 Å²	105.4	44%	0.439	51%	0.507	S	S	.	.			trans	-42	126.9	163.4	175.5	-9.1	0	0	0	109.4	V171 T175 K176 T177	V171-D173 PolarHBondContact O-N 3.48Å; D173-T175 PolarHBondContact O-N 3.47Å; D173-T175 WeakPolarHBondContact OD1-CB 3.44Å; D173-T175 PolarHBondContact OD1-N 3.36Å; D173-T175 VanDerWaalsContact OD1-N 3.13Å; D173-T175 PolarHBondContact OD1-OG1 3.23Å; D173-K176 HydrophobicContact CB-CD 4.09Å; D173-K176 HydrophobicContact CB-CG 4.11Å; D173-K176 WeakPolarHBondContact O-CA 3.4Å; D173-K176 WeakPolarHBondContact O-CB 3.49Å; D173-K176 PolarHBondContact O-N 3.27Å; D173-T177 PolarHBondContact O-N 2.89Å
174	E	82.4	Confident	66.6	Low	97 Å²	97	103.2 Å²	103.2	45%	0.453	49%	0.491	S	S	.	.	H	α-helix	trans	-44.5	-42.9	-177.2	-64	-179.7	-167.6	0	0	111.2	M172 K176 T177 L178 T207	M172-E174 PolarHBondContact O-N 2.79Å; E174-K176 PolarHBondContact O-N 3.26Å; E174-T177 WeakPolarHBondContact O-CB 3.31Å; E174-T177 PolarHBondContact O-N 3.27Å; E174-T177 VanDerWaalsContact O-N 3.14Å; E174-L178 WeakPolarHBondContact O-CG 3.16Å; E174-L178 PolarHBondContact O-N 2.92Å; E174-T207 HydrophobicContact CG-CG2 4.44Å
175	T	85.7	Confident	69.7	Low	30 Å²	30	94 Å²	94	18%	0.184	45%	0.451	C	S	.	.	H	α-helix	trans	-54.2	-47.3	177.6	-43	0	0	0	0	112.8	D173 T177 L178 I179 E202	D173-T175 PolarHBondContact O-N 3.47Å; D173-T175 WeakPolarHBondContact OD1-CB 3.44Å; D173-T175 PolarHBondContact OD1-N 3.36Å; D173-T175 VanDerWaalsContact OD1-N 3.13Å; D173-T175 PolarHBondContact OD1-OG1 3.23Å; T175-T177 VanDerWaalsContact C-N 3.34Å; T175-L178 PolarHBondContact O-N 2.67Å; T175-I179 HydrophobicContact CG2-CD1 4.3Å; T175-I179 VanDerWaalsContact O-CG1 3.3Å; T175-I179 WeakPolarHBondContact O-CG1 3.38Å; T175-I179 PolarHBondContact O-N 3.21Å; T175-I179 VanDerWaalsContact O-N 3.09Å; T175-E202 VanDerWaalsContact CG2-CA 3.43Å; T175-E202 HydrophobicContact CG2-CB 4.37Å; T175-E202 HydrophobicContact CG2-CG 4.32Å
176	K	89.8	Confident	72.7	Confident	122 Å²	122	84.1 Å²	84.1	53%	0.53	41%	0.408	S	S	.	.	H	α-helix	trans	-68.8	-36.3	179.3	-64.6	178.1	-175.3	171.8	0	111	M172 D173 E174 I179 Y180	M172-K176 HydrophobicContact CE-CB 3.74Å; M172-K176 HydrophobicContact SD-CB 4.25Å; M172-K176 HydrophobicContact SD-CD 4.47Å; D173-K176 HydrophobicContact CB-CD 4.09Å; D173-K176 HydrophobicContact CB-CG 4.11Å; D173-K176 WeakPolarHBondContact O-CA 3.4Å; D173-K176 WeakPolarHBondContact O-CB 3.49Å; D173-K176 PolarHBondContact O-N 3.27Å; E174-K176 PolarHBondContact O-N 3.26Å; K176-I179 PolarHBondContact O-N 3.42Å; K176-Y180 WeakPolarHBondContact O-CB 3.48Å; K176-Y180 PolarHBondContact O-N 2.61Å
177	T	90.3	Very high	75.8	Confident	55 Å²	55	84.6 Å²	84.6	34%	0.337	41%	0.409	S	S	.	.	H	α-helix	trans	-64.3	-46.6	176	-56.9	0	0	0	0	111.1	M172 D173 E174 T175 I179 Y180 I181	M172-T177 WeakPolarHBondContact CB-OG1 3.34Å; D173-T177 PolarHBondContact O-N 2.89Å; E174-T177 WeakPolarHBondContact O-CB 3.31Å; E174-T177 PolarHBondContact O-N 3.27Å; E174-T177 VanDerWaalsContact O-N 3.14Å; T175-T177 VanDerWaalsContact C-N 3.34Å; T177-I179 PolarHBondContact O-N 3.4Å; T177-Y180 WeakPolarHBondContact O-CB 3.48Å; T177-Y180 PolarHBondContact O-N 3.14Å; T177-I181 HydrophobicContact CG2-CD1 3.97Å; T177-I181 WeakPolarHBondContact O-CG1 3.37Å; T177-I181 PolarHBondContact O-N 3.16Å
178	L	91.8	Very high	78.7	Confident	6 Å²	6	83.7 Å²	83.7	3%	0.031	40%	0.398	C	S	.	.	H	α-helix	trans	-59.9	-44.5	174.9	-66.5	177.9	0	0	0	112.3	E174 T175 Y180 I181 Y182 C205 M210 L228	E174-L178 WeakPolarHBondContact O-CG 3.16Å; E174-L178 PolarHBondContact O-N 2.92Å; T175-L178 PolarHBondContact O-N 2.67Å; L178-Y180 VanDerWaalsContact C-N 3.33Å; L178-Y180 PolarHBondContact O-N 2.76Å; L178-I181 PolarHBondContact O-N 2.93Å; L178-Y182 WeakPolarHBondContact O-CB 3.47Å; L178-Y182 PolarHBondContact O-N 3.24Å; L178-C205 HydrophobicContact CD1-CB 4.26Å; L178-M210 HydrophobicContact CD1-CE 3.81Å; L178-M210 HydrophobicContact CD2-CE 3.57Å; L178-M210 HydrophobicContact CG-CE 4.35Å; L178-L228 HydrophobicContact CD2-CD1 4.03Å; L178-L228 WeakPolarHBondContact O-CD1 3.13Å
179	I	93.6	Very high	81.5	Confident	18 Å²	18	80.5 Å²	80.5	9%	0.092	39%	0.388	C	S	.	.	H	α-helix	trans	-64.9	-37.5	177.3	-67.8	165.8	0	0	0	111.5	T175 K176 T177 R183 I198 L201 E202	T175-I179 HydrophobicContact CG2-CD1 4.3Å; T175-I179 VanDerWaalsContact O-CG1 3.3Å; T175-I179 WeakPolarHBondContact O-CG1 3.38Å; T175-I179 PolarHBondContact O-N 3.21Å; T175-I179 VanDerWaalsContact O-N 3.09Å; K176-I179 PolarHBondContact O-N 3.42Å; T177-I179 PolarHBondContact O-N 3.4Å; I179-R183 WeakPolarHBondContact O-CB 3.25Å; I179-R183 WeakPolarHBondContact O-CG 3.34Å; I179-R183 PolarHBondContact O-N 2.97Å; I179-I198 HydrophobicContact CD1-CG2 4.27Å; I179-I198 HydrophobicContact CG1-CG2 4.34Å; I179-I198 HydrophobicContact CG2-CG2 4.04Å; I179-L201 HydrophobicContact CG1-CB 3.85Å; I179-L201 HydrophobicContact CG1-CD1 4.36Å; I179-E202 HydrophobicContact CD1-CB 4.05Å; I179-E202 HydrophobicContact CD1-CG 4.49Å
180	Y	94.1	Very high	84.3	Confident	135 Å²	135	81.1 Å²	81.1	53%	0.529	39%	0.388	S	S	.	.	H	α-helix	trans	-64	-50.9	175.3	176.2	-97.7	0	0	0	111.5	K176 T177 L178 Y182 R183 D184	K176-Y180 WeakPolarHBondContact O-CB 3.48Å; K176-Y180 PolarHBondContact O-N 2.61Å; T177-Y180 WeakPolarHBondContact O-CB 3.48Å; T177-Y180 PolarHBondContact O-N 3.14Å; L178-Y180 VanDerWaalsContact C-N 3.33Å; L178-Y180 PolarHBondContact O-N 2.76Å; Y180-Y182 VanDerWaalsContact C-N 3.33Å; Y180-Y182 PolarHBondContact O-N 2.79Å; Y180-R183 PolarHBondContact O-N 2.9Å; Y180-D184 WeakPolarHBondContact O-CB 3.12Å; Y180-D184 PolarHBondContact O-N 3.47Å
181	I	93.1	Very high	86.9	Confident	42 Å²	42	76.1 Å²	76.1	22%	0.215	37%	0.369	C	S	.	.	H	α-helix	trans	-59.9	-43.5	177.9	-64.4	164.1	0	0	0	110.6	T177 L178 R183 D184 N185 L228 E231	T177-I181 HydrophobicContact CG2-CD1 3.97Å; T177-I181 WeakPolarHBondContact O-CG1 3.37Å; T177-I181 PolarHBondContact O-N 3.16Å; L178-I181 PolarHBondContact O-N 2.93Å; I181-R183 PolarHBondContact O-N 3.37Å; I181-D184 PolarHBondContact O-N 3.21Å; I181-N185 WeakPolarHBondContact O-CB 3.48Å; I181-N185 VanDerWaalsContact O-CG 3.31Å; I181-N185 PolarHBondContact O-N 3.37Å; I181-N185 PolarHBondContact O-ND2 3.23Å; I181-L228 HydrophobicContact CB-CD1 3.7Å; I181-L228 HydrophobicContact CG2-CD1 3.54Å; I181-E231 HydrophobicContact CG2-CG 4.26Å
182	Y	94.9	Very high	89.3	Confident	1 Å²	1	76.2 Å²	76.2	0%	0.004	37%	0.365	C	S	.	.	H	α-helix	trans	-59.6	-45.8	175.9	175.8	-114.6	0	0	0	112.5	L178 Y180 N185 C186 A193 V194 V197 I198 L201 P224 V225	L178-Y182 WeakPolarHBondContact O-CB 3.47Å; L178-Y182 PolarHBondContact O-N 3.24Å; Y180-Y182 VanDerWaalsContact C-N 3.33Å; Y180-Y182 PolarHBondContact O-N 2.79Å; Y182-N185 PolarHBondContact O-N 2.93Å; Y182-C186 VanDerWaalsContact CZ-SG 3.51Å; Y182-C186 PolarHBondContact O-N 3.39Å; Y182-C186 PolarHBondContact O-SG 3.42Å; Y182-A193 HydrophobicContact CD1-CB 4.44Å; Y182-A193 HydrophobicContact CE1-CB 3.88Å; Y182-V194 PolarHBondContact OH-N 3.3Å; Y182-V197 HydrophobicContact CD1-CG1 4.17Å; Y182-V197 HydrophobicContact CD2-CG1 4.1Å; Y182-V197 HydrophobicContact CE1-CB 3.89Å; Y182-V197 HydrophobicContact CE1-CG1 3.76Å; Y182-V197 HydrophobicContact CE2-CB 4.35Å; Y182-V197 HydrophobicContact CE2-CG1 3.7Å; Y182-V197 HydrophobicContact CG-CG1 4.33Å; Y182-I198 HydrophobicContact CD1-CG1 3.97Å; Y182-I198 HydrophobicContact CE1-CG1 3.86Å; Y182-L201 HydrophobicContact CD1-CD1 4.06Å; Y182-L201 HydrophobicContact CG-CD1 3.84Å; Y182-P224 HydrophobicContact CD2-CB 4.13Å; Y182-P224 HydrophobicContact CE2-CB 3.82Å; Y182-V225 HydrophobicContact CD2-CG2 4.15Å; Y182-V225 HydrophobicContact CE2-CG2 3.58Å
183	R	95.8	Very high	91.1	Very high	127 Å²	127	73.3 Å²	73.3	48%	0.479	36%	0.356	S	S	.	.	H	α-helix	trans	-64.9	-41	177.4	-77.4	174.9	172.8	165.8	-0.6	112.1	I179 Y180 I181 C186 M187 A193	I179-R183 WeakPolarHBondContact O-CB 3.25Å; I179-R183 WeakPolarHBondContact O-CG 3.34Å; I179-R183 PolarHBondContact O-N 2.97Å; Y180-R183 PolarHBondContact O-N 2.9Å; I181-R183 PolarHBondContact O-N 3.37Å; R183-C186 WeakPolarHBondContact O-CB 3.5Å; R183-C186 PolarHBondContact O-N 3.27Å; R183-M187 WeakPolarHBondContact O-CG 3.25Å; R183-M187 PolarHBondContact O-N 2.85Å; R183-A193 HydrophobicContact CG-CB 4.21Å
184	D	95.5	Very high	91.7	Very high	42 Å²	42	71.1 Å²	71.1	23%	0.225	35%	0.346	C	S	.	.	H	α-helix	trans	-63.6	-43.5	175.9	-175.5	57.9	0	0	0	111.8	Y180 I181 C186 M187 K188	Y180-D184 WeakPolarHBondContact O-CB 3.12Å; Y180-D184 PolarHBondContact O-N 3.47Å; I181-D184 PolarHBondContact O-N 3.21Å; D184-C186 VanDerWaalsContact C-N 3.32Å; D184-C186 PolarHBondContact O-N 2.91Å; D184-M187 HydrophobicContact CB-CE 4.39Å; D184-M187 PolarHBondContact O-N 2.78Å; D184-K188 WeakPolarHBondContact O-CB 3.47Å; D184-K188 WeakPolarHBondContact O-CG 3.34Å; D184-K188 PolarHBondContact O-N 3.46Å; D184-K188 WeakPolarHBondContact OD2-CE 3.2Å; D184-K188 IonicContact OD2-NZ 2.71Å; D184-K188 PolarHBondContact OD2-NZ 3.29Å
185	N	94.4	Very high	92.2	Very high	11 Å²	11	74.1 Å²	74.1	6%	0.059	36%	0.357	C	S	.	.	H	α-helix	trans	-61.8	-38.1	172.4	-73.6	-22.4	0	0	0	112.5	I181 Y182 L189 P224 N227 L228	I181-N185 WeakPolarHBondContact O-CB 3.48Å; I181-N185 VanDerWaalsContact O-CG 3.31Å; I181-N185 PolarHBondContact O-N 3.37Å; I181-N185 PolarHBondContact O-ND2 3.23Å; Y182-N185 PolarHBondContact O-N 2.93Å; N185-L189 WeakPolarHBondContact O-CB 3.25Å; N185-L189 WeakPolarHBondContact O-CG 3.45Å; N185-L189 PolarHBondContact O-N 2.95Å; N185-P224 HydrophobicContact CB-CB 4.05Å; N185-N227 HydrophobicContact CB-CB 4.32Å; N185-N227 VanDerWaalsContact ND2-C 3.28Å; N185-N227 WeakPolarHBondContact ND2-CB 3.32Å; N185-L228 PolarHBondContact ND2-N 2.88Å; N185-L228 VanDerWaalsContact ND2-N 3.14Å
186	C	93.7	Very high	92.6	Very high	2 Å²	2	75.1 Å²	75.1	1%	0.014	37%	0.365	C	S	.	.	H	α-helix	trans	-64	-44.3	173.8	-69.3	0	0	0	0	111.9	Y182 R183 D184 L189 K190 C191 A193 P224	Y182-C186 VanDerWaalsContact CZ-SG 3.51Å; Y182-C186 PolarHBondContact O-N 3.39Å; Y182-C186 PolarHBondContact O-SG 3.42Å; R183-C186 WeakPolarHBondContact O-CB 3.5Å; R183-C186 PolarHBondContact O-N 3.27Å; D184-C186 VanDerWaalsContact C-N 3.32Å; D184-C186 PolarHBondContact O-N 2.91Å; C186-L189 CarbonylContact O-C 3.51Å; C186-L189 PolarHBondContact O-N 3.3Å; C186-K190 PolarHBondContact O-N 2.72Å; C186-C191 CarbonylContact C-O 3.41Å; C186-C191 WeakPolarHBondContact CB-O 3.08Å; C186-C191 PolarHBondContact O-N 2.97Å; C186-A193 HydrophobicContact CB-CB 4.06Å; C186-P224 HydrophobicContact CB-CB 4.47Å; C186-P224 WeakPolarHBondContact SG-CB 3.44Å
187	M	94.4	Very high	92.7	Very high	124 Å²	124	69.3 Å²	69.3	61%	0.611	34%	0.34	S	S	*	.	H	α-helix	trans	-63.5	-45.7	176.6	-70.8	-173.9	-64.2	0	0	111.9	R183 D184 L189 K190	R183-M187 WeakPolarHBondContact O-CG 3.25Å; R183-M187 PolarHBondContact O-N 2.85Å; D184-M187 HydrophobicContact CB-CE 4.39Å; D184-M187 PolarHBondContact O-N 2.78Å; M187-L189 VanDerWaalsContact C-N 3.3Å; M187-L189 PolarHBondContact O-N 2.78Å; M187-K190 PolarHBondContact O-N 3.02Å; M187-K190 VanDerWaalsContact O-N 3.09Å
188	K	93.4	Very high	92.9	Very high	140 Å²	140	67.7 Å²	67.7	61%	0.609	33%	0.329	S	S	*	.	H	α-helix	trans	-57.7	-40.7	175.6	-75.6	164.7	169.9	166.1	0	112.4	D184 K190	D184-K188 WeakPolarHBondContact O-CB 3.47Å; D184-K188 WeakPolarHBondContact O-CG 3.34Å; D184-K188 PolarHBondContact O-N 3.46Å; D184-K188 WeakPolarHBondContact OD2-CE 3.2Å; D184-K188 IonicContact OD2-NZ 2.71Å; D184-K188 PolarHBondContact OD2-NZ 3.29Å; K188-K190 VanDerWaalsContact C-N 3.31Å
189	L	91.1	Very high	92.9	Very high	75 Å²	75	70.7 Å²	70.7	39%	0.393	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	5.8	178.6	-66.8	170.1	0	0	0	113.9	N185 C186 M187 C191 Q223 P224	N185-L189 WeakPolarHBondContact O-CB 3.25Å; N185-L189 WeakPolarHBondContact O-CG 3.45Å; N185-L189 PolarHBondContact O-N 2.95Å; C186-L189 CarbonylContact O-C 3.51Å; C186-L189 PolarHBondContact O-N 3.3Å; M187-L189 VanDerWaalsContact C-N 3.3Å; M187-L189 PolarHBondContact O-N 2.78Å; L189-C191 VanDerWaalsContact C-N 3.26Å; L189-C191 PolarHBondContact O-N 3.49Å; L189-Q223 HydrophobicContact CD1-CB 3.76Å; L189-P224 HydrophobicContact CD1-CB 4.17Å; L189-P224 HydrophobicContact CD1-CG 3.75Å
190	K	90.2	Very high	92.9	Very high	200 Å²	200	71.8 Å²	71.8	87%	0.87	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	35.9	179.4	-56.1	179.5	-178.5	175.2	0	114.1	C186 M187 K188	C186-K190 PolarHBondContact O-N 2.72Å; M187-K190 PolarHBondContact O-N 3.02Å; M187-K190 VanDerWaalsContact O-N 3.09Å; K188-K190 VanDerWaalsContact C-N 3.31Å
191	C	89.5	Confident	92.8	Very high	46 Å²	46	65.3 Å²	65.3	31%	0.311	32%	0.323	S	S	.	.			trans	-122.7	152.6	178.4	65.5	0	0	0	0	112.1	C186 L189 P224	C186-C191 CarbonylContact C-O 3.41Å; C186-C191 WeakPolarHBondContact CB-O 3.08Å; C186-C191 PolarHBondContact O-N 2.97Å; L189-C191 VanDerWaalsContact C-N 3.26Å; L189-C191 PolarHBondContact O-N 3.49Å; C191-P224 WeakPolarHBondContact SG-CG 3.3Å
192	N	90.2	Very high	92.7	Very high	148 Å²	148	68.7 Å²	68.7	79%	0.791	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-73	131.7	178.4	-68.2	-23	0	0	0	111.4	V194	N192-V194 PolarHBondContact O-N 2.93Å
193	A	91.4	Very high	92.4	Very high	37 Å²	37	76 Å²	76	31%	0.306	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-65.8	119.4	177	0	0	0	0	0	110.7	Y182 R183 C186 K195 I198	Y182-A193 HydrophobicContact CD1-CB 4.44Å; Y182-A193 HydrophobicContact CE1-CB 3.88Å; R183-A193 HydrophobicContact CG-CB 4.21Å; C186-A193 HydrophobicContact CB-CB 4.06Å; A193-K195 PolarHBondContact O-N 3.33Å; A193-I198 HydrophobicContact CB-CD1 4.04Å
194	V	91.1	Very high	91.8	Very high	36 Å²	36	74.6 Å²	74.6	22%	0.218	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-74.5	123.5	-171.9	-173.1	0	0	0	0	110.1	Y182 N192 S196 V197 I198 K221	Y182-V194 PolarHBondContact OH-N 3.3Å; N192-V194 PolarHBondContact O-N 2.93Å; V194-S196 VanDerWaalsContact C-N 3.3Å; V194-S196 VanDerWaalsContact CG1-OG 3.28Å; V194-S196 WeakPolarHBondContact CG1-OG 3.5Å; V194-S196 PolarHBondContact O-N 3.06Å; V194-V197 HydrophobicContact CB-CB 4.37Å; V194-V197 HydrophobicContact CB-CG2 3.85Å; V194-V197 HydrophobicContact CG1-CG2 4.32Å; V194-V197 WeakPolarHBondContact O-CB 3.45Å; V194-V197 PolarHBondContact O-N 2.79Å; V194-I198 PolarHBondContact O-N 2.81Å; V194-I198 VanDerWaalsContact O-N 3.11Å; V194-K221 HydrophobicContact CG2-CD 4.37Å
195	K	93.1	Very high	91.4	Very high	160 Å²	160	73 Å²	73	70%	0.696	36%	0.363	S	S	*	.	H	α-helix	trans	-57.2	-37.8	-177.5	-172.3	174.9	-177	174.3	0	113.5	A193 V197 I198 N199	A193-K195 PolarHBondContact O-N 3.33Å; K195-V197 VanDerWaalsContact C-N 3.34Å; K195-V197 PolarHBondContact O-N 2.81Å; K195-I198 PolarHBondContact O-N 3.33Å; K195-N199 WeakPolarHBondContact O-CB 3.28Å; K195-N199 PolarHBondContact O-N 2.8Å; K195-N199 PolarHBondContact O-OD1 3.43Å
196	S	92.3	Very high	91.1	Very high	50 Å²	50	75 Å²	75	35%	0.35	38%	0.376	S	S	.	.	H	α-helix	trans	-64.1	-37.1	176.3	56.2	0	0	0	0	112.6	V194 R200	V194-S196 VanDerWaalsContact C-N 3.3Å; V194-S196 VanDerWaalsContact CG1-OG 3.28Å; V194-S196 WeakPolarHBondContact CG1-OG 3.5Å; V194-S196 PolarHBondContact O-N 3.06Å; S196-R200 VanDerWaalsContact O-CB 3.28Å; S196-R200 WeakPolarHBondContact O-CB 3.44Å; S196-R200 PolarHBondContact O-N 3.06Å
197	V	92.9	Very high	90.7	Very high	0 Å²	0	77 Å²	77	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-66.2	-47.6	174.2	-178.1	0	0	0	0	110.3	Y182 V194 K195 N199 R200 L201 L215 L217 V225	Y182-V197 HydrophobicContact CD1-CG1 4.17Å; Y182-V197 HydrophobicContact CD2-CG1 4.1Å; Y182-V197 HydrophobicContact CE1-CB 3.89Å; Y182-V197 HydrophobicContact CE1-CG1 3.76Å; Y182-V197 HydrophobicContact CE2-CB 4.35Å; Y182-V197 HydrophobicContact CE2-CG1 3.7Å; Y182-V197 HydrophobicContact CG-CG1 4.33Å; V194-V197 HydrophobicContact CB-CB 4.37Å; V194-V197 HydrophobicContact CB-CG2 3.85Å; V194-V197 HydrophobicContact CG1-CG2 4.32Å; V194-V197 WeakPolarHBondContact O-CB 3.45Å; V194-V197 PolarHBondContact O-N 2.79Å; K195-V197 VanDerWaalsContact C-N 3.34Å; K195-V197 PolarHBondContact O-N 2.81Å; V197-N199 PolarHBondContact O-N 3.22Å; V197-R200 WeakPolarHBondContact O-CA 3.25Å; V197-R200 WeakPolarHBondContact O-CB 3.49Å; V197-R200 PolarHBondContact O-N 3.44Å; V197-L201 HydrophobicContact CG1-CD1 4.08Å; V197-L201 HydrophobicContact CG1-CG 4.23Å; V197-L201 WeakPolarHBondContact O-CG 3.39Å; V197-L201 PolarHBondContact O-N 2.87Å; V197-L215 HydrophobicContact CB-CD1 4.5Å; V197-L215 HydrophobicContact CG2-CD1 4.02Å; V197-L217 HydrophobicContact CG2-CD1 4.34Å; V197-L217 HydrophobicContact CG2-CD2 3.72Å; V197-V225 HydrophobicContact CG1-CG2 3.94Å; V197-V225 HydrophobicContact CG2-CG2 4.34Å
198	I	93.6	Very high	90.5	Very high	22 Å²	22	74.6 Å²	74.6	11%	0.113	37%	0.374	C	S	.	.	H	α-helix	trans	-58	-50.2	178.1	-61.9	172.2	0	0	0	110.6	I179 Y182 A193 V194 K195 R200 L201 E202	I179-I198 HydrophobicContact CD1-CG2 4.27Å; I179-I198 HydrophobicContact CG1-CG2 4.34Å; I179-I198 HydrophobicContact CG2-CG2 4.04Å; Y182-I198 HydrophobicContact CD1-CG1 3.97Å; Y182-I198 HydrophobicContact CE1-CG1 3.86Å; A193-I198 HydrophobicContact CB-CD1 4.04Å; V194-I198 PolarHBondContact O-N 2.81Å; V194-I198 VanDerWaalsContact O-N 3.11Å; K195-I198 PolarHBondContact O-N 3.33Å; I198-R200 PolarHBondContact O-N 3.44Å; I198-R200 VanDerWaalsContact O-N 3.16Å; I198-L201 PolarHBondContact O-N 2.84Å; I198-E202 WeakPolarHBondContact O-CB 2.89Å; I198-E202 PolarHBondContact O-N 3.34Å
199	N	92.9	Very high	90.4	Very high	69 Å²	69	73.9 Å²	73.9	37%	0.369	37%	0.368	S	S	.	.	H	α-helix	trans	-59.9	-26.1	177.2	-67.6	-4.3	0	0	0	113	K195 V197 K203	K195-N199 WeakPolarHBondContact O-CB 3.28Å; K195-N199 PolarHBondContact O-N 2.8Å; K195-N199 PolarHBondContact O-OD1 3.43Å; V197-N199 PolarHBondContact O-N 3.22Å; N199-K203 WeakPolarHBondContact O-CG 3.4Å
200	R	92.7	Very high	90.6	Very high	40 Å²	40	70.4 Å²	70.4	15%	0.151	35%	0.35	C	S	.	.	H	α-helix	trans	-83.4	-43.8	179.4	-175.5	65.9	72.7	78.3	2.8	111.9	S196 V197 I198 E202 K203 L204 N211 L212 S213 L215	S196-R200 VanDerWaalsContact O-CB 3.28Å; S196-R200 WeakPolarHBondContact O-CB 3.44Å; S196-R200 PolarHBondContact O-N 3.06Å; V197-R200 WeakPolarHBondContact O-CA 3.25Å; V197-R200 WeakPolarHBondContact O-CB 3.49Å; V197-R200 PolarHBondContact O-N 3.44Å; I198-R200 PolarHBondContact O-N 3.44Å; I198-R200 VanDerWaalsContact O-N 3.16Å; R200-E202 PolarHBondContact O-N 3.27Å; R200-K203 PolarHBondContact O-N 2.9Å; R200-L204 PolarHBondContact O-N 3.14Å; R200-N211 WeakPolarHBondContact CD-O 3.48Å; R200-N211 WeakPolarHBondContact CG-O 3.39Å; R200-N211 PolarHBondContact NH1-O 2.9Å; R200-N211 PolarHBondContact NH1-OD1 3.14Å; R200-L212 HydrophobicContact CG-CD2 4.5Å; R200-S213 PolarHBondContact NH1-O 3.37Å; R200-S213 PolarHBondContact NH1-OG 3.24Å; R200-S213 PolarHBondContact NH2-O 2.88Å; R200-L215 HydrophobicContact CB-CD1 4.25Å; R200-L215 HydrophobicContact CB-CD2 4.21Å; R200-L215 HydrophobicContact CG-CD1 4.22Å
201	L	92.3	Very high	90.7	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-56	-39.2	170	-67.1	175.4	0	0	0	110.5	I179 Y182 V197 I198 K203 C205 L212 L228	I179-L201 HydrophobicContact CG1-CB 3.85Å; I179-L201 HydrophobicContact CG1-CD1 4.36Å; Y182-L201 HydrophobicContact CD1-CD1 4.06Å; Y182-L201 HydrophobicContact CG-CD1 3.84Å; V197-L201 HydrophobicContact CG1-CD1 4.08Å; V197-L201 HydrophobicContact CG1-CG 4.23Å; V197-L201 WeakPolarHBondContact O-CG 3.39Å; V197-L201 PolarHBondContact O-N 2.87Å; I198-L201 PolarHBondContact O-N 2.84Å; L201-K203 VanDerWaalsContact C-N 3.34Å; L201-K203 PolarHBondContact O-N 2.69Å; L201-C205 HydrophobicContact CD2-CB 4.06Å; L201-L212 HydrophobicContact CD2-CD2 4.21Å; L201-L228 HydrophobicContact CD1-CD2 3.91Å; L201-L228 HydrophobicContact CD2-CD2 3.6Å; L201-L228 HydrophobicContact CG-CD2 4.42Å
202	E	91.7	Very high	90.8	Very high	112 Å²	112	61.1 Å²	61.1	52%	0.523	31%	0.307	S	S	.	.	H	α-helix	trans	-65.8	-28.6	179.1	-166.7	176.1	-148.4	0	0	114.8	T175 I179 I198 R200	T175-E202 VanDerWaalsContact CG2-CA 3.43Å; T175-E202 HydrophobicContact CG2-CB 4.37Å; T175-E202 HydrophobicContact CG2-CG 4.32Å; I179-E202 HydrophobicContact CD1-CB 4.05Å; I179-E202 HydrophobicContact CD1-CG 4.49Å; I198-E202 WeakPolarHBondContact O-CB 2.89Å; I198-E202 PolarHBondContact O-N 3.34Å; R200-E202 PolarHBondContact O-N 3.27Å
203	K	88.7	Confident	90.9	Very high	156 Å²	156	54.6 Å²	54.6	68%	0.678	27%	0.273	S	S	*	.	H	α-helix	trans	-119.4	-30.2	-164.9	-66.6	-178.3	-178.2	-174.7	0	115.6	N199 R200 L201	N199-K203 WeakPolarHBondContact O-CG 3.4Å; R200-K203 PolarHBondContact O-N 2.9Å; L201-K203 VanDerWaalsContact C-N 3.34Å; L201-K203 PolarHBondContact O-N 2.69Å
204	L	83.6	Confident	90.7	Very high	96 Å²	96	57.5 Å²	57.5	50%	0.503	28%	0.28	S	S	.	.	H	α-helix	trans	-137.2	19.5	-167.7	-61.7	176.7	0	0	0	112.4	R200 N211	R200-L204 PolarHBondContact O-N 3.14Å; L204-N211 HydrophobicContact CB-CB 4.19Å; L204-N211 PolarHBondContact O-N 3.43Å
205	C	87.3	Confident	90.6	Very high	8 Å²	8	56.3 Å²	56.3	5%	0.054	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-130.3	139.2	176.3	-58.6	0	0	0	0	111.6	L178 L201 Y209 M210	L178-C205 HydrophobicContact CD1-CB 4.26Å; L201-C205 HydrophobicContact CD2-CB 4.06Å; C205-Y209 CarbonylContact C-O 3.46Å; C205-Y209 VanDerWaalsContact CA-O 3.24Å; C205-Y209 WeakPolarHBondContact CA-O 3.42Å; C205-M210 HydrophobicContact CB-CG 4.14Å
206	T	87.5	Confident	90	Very high	55 Å²	55	55.8 Å²	55.8	34%	0.337	27%	0.272	S	S	.	.			trans	-131.1	-179.7	164.5	70.9	0	0	0	0	108.3	K208 Y209 M210	T206-K208 PolarHBondContact O-N 3.04Å; T206-K208 PolarHBondContact OG1-N 2.77Å; T206-Y209 PolarHBondContact N-O 3.29Å; T206-Y209 PolarHBondContact OG1-N 2.85Å; T206-M210 WeakPolarHBondContact O-CE 3.41Å
207	T	84.4	Confident	89.4	Confident	42 Å²	42	53.4 Å²	53.4	26%	0.258	26%	0.256	S	S	.	.	S	Bend	trans	-58.5	-26.2	173.3	54.8	0	0	0	0	113.5	E174 E234 L235	E174-T207 HydrophobicContact CG-CG2 4.44Å; T207-E234 CarbonylContact O-C 3.57Å; T207-L235 WeakPolarHBondContact O-CA 3.28Å; T207-L235 PolarHBondContact O-N 3.06Å
208	K	90	Very high	88.4	Confident	74 Å²	74	56 Å²	56	32%	0.322	27%	0.274	S	S	.	.	S	Bend	trans	-103.9	-24.4	-174.7	-57.6	-165.1	175.3	-157.4	0	115	T206 E234 E236 T237	T206-K208 PolarHBondContact O-N 3.04Å; T206-K208 PolarHBondContact OG1-N 2.77Å; K208-E234 WeakPolarHBondContact CE-OE2 3.21Å; K208-E234 HydrophobicContact CG-CB 4.24Å; K208-E234 IonicContact NZ-OE2 3.19Å; K208-E234 PolarHBondContact NZ-OE2 2.92Å; K208-E236 PolarHBondContact O-N 3.39Å; K208-T237 PolarHBondContact O-N 2.93Å
209	Y	93	Very high	87.4	Confident	125 Å²	125	59.6 Å²	59.6	49%	0.49	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	115.1	-175.3	-59.4	-91.6	0	0	0	108.8	C205 T206 T237	C205-Y209 CarbonylContact C-O 3.46Å; C205-Y209 VanDerWaalsContact CA-O 3.24Å; C205-Y209 WeakPolarHBondContact CA-O 3.42Å; T206-Y209 PolarHBondContact N-O 3.29Å; T206-Y209 PolarHBondContact OG1-N 2.85Å; Y209-T237 WeakPolarHBondContact CA-O 3.34Å; Y209-T237 HydrophobicContact CD1-CG2 4.27Å
210	M	93.6	Very high	86.6	Confident	2 Å²	2	62 Å²	62	1%	0.01	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	110.6	175.6	-68.6	-161.7	-178.5	0	0	111.2	L178 C205 T206 L212 L229 C232 L235 T237 L238 D239	L178-M210 HydrophobicContact CD1-CE 3.81Å; L178-M210 HydrophobicContact CD2-CE 3.57Å; L178-M210 HydrophobicContact CG-CE 4.35Å; C205-M210 HydrophobicContact CB-CG 4.14Å; T206-M210 WeakPolarHBondContact O-CE 3.41Å; M210-L212 HydrophobicContact CB-CD1 4.19Å; M210-L212 HydrophobicContact CB-CG 4.41Å; M210-L212 HydrophobicContact SD-CD1 4.45Å; M210-L229 HydrophobicContact SD-CD2 3.59Å; M210-L229 VanDerWaalsContact SD-CD2 3.59Å; M210-C232 HydrophobicContact CE-CB 4.05Å; M210-C232 WeakPolarHBondContact CE-SG 3.43Å; M210-L235 HydrophobicContact CB-CD1 3.99Å; M210-L235 HydrophobicContact CG-CD1 3.73Å; M210-L235 HydrophobicContact SD-CD1 4.46Å; M210-T237 PolarHBondContact N-O 3.38Å; M210-L238 HydrophobicContact CB-CD1 4.16Å; M210-D239 PolarHBondContact O-N 2.62Å
211	N	93.4	Very high	86	Confident	51 Å²	51	64.4 Å²	64.4	27%	0.273	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	99.8	169.6	-177.8	-18	0	0	0	110.3	R200 L204 S213 D239	R200-N211 WeakPolarHBondContact CD-O 3.48Å; R200-N211 WeakPolarHBondContact CG-O 3.39Å; R200-N211 PolarHBondContact NH1-O 2.9Å; R200-N211 PolarHBondContact NH1-OD1 3.14Å; L204-N211 HydrophobicContact CB-CB 4.19Å; L204-N211 PolarHBondContact O-N 3.43Å; N211-S213 WeakPolarHBondContact OD1-CB 3.42Å; N211-S213 PolarHBondContact OD1-N 2.78Å; N211-S213 PolarHBondContact OD1-OG 3.49Å; N211-D239 HydrophobicContact CB-CB 4.44Å
212	L	92.2	Very high	85.6	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	31%	0.312	C	S	.	.			trans	-110.5	21.3	179.9	-65	161.8	0	0	0	112	R200 L201 M210 L215 V225 L229 L238 D239 L240 N243	R200-L212 HydrophobicContact CG-CD2 4.5Å; L201-L212 HydrophobicContact CD2-CD2 4.21Å; M210-L212 HydrophobicContact CB-CD1 4.19Å; M210-L212 HydrophobicContact CB-CG 4.41Å; M210-L212 HydrophobicContact SD-CD1 4.45Å; L212-L215 HydrophobicContact CB-CD1 4.12Å; L212-L215 HydrophobicContact CD2-CD1 3.91Å; L212-L215 WeakPolarHBondContact O-CD1 3.42Å; L212-L215 WeakPolarHBondContact O-CG 3.39Å; L212-V225 HydrophobicContact CD1-CG1 3.61Å; L212-V225 HydrophobicContact CD2-CG1 4.32Å; L212-V225 HydrophobicContact CG-CG1 4.48Å; L212-L229 HydrophobicContact CD1-CD1 4.18Å; L212-L229 HydrophobicContact CD1-CD2 4.06Å; L212-L229 HydrophobicContact CD1-CG 4.32Å; L212-L238 HydrophobicContact CD1-CD1 4.3Å; L212-D239 CarbonylContact C-O 3.57Å; L212-D239 WeakPolarHBondContact CA-O 3.32Å; L212-D239 PolarHBondContact N-O 3.11Å; L212-L240 HydrophobicContact CB-CD2 4.15Å; L212-L240 HydrophobicContact CD1-CD2 4.42Å; L212-N243 PolarHBondContact O-ND2 2.81Å; L212-N243 PolarHBondContact O-OD1 2.84Å
213	S	91.4	Very high	85.4	Confident	12 Å²	12	60.2 Å²	60.2	8%	0.084	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	155	-179	69.6	0	0	0	0	114.6	R200 N211 L215 D239 S241	R200-S213 PolarHBondContact NH1-O 3.37Å; R200-S213 PolarHBondContact NH1-OG 3.24Å; R200-S213 PolarHBondContact NH2-O 2.88Å; N211-S213 WeakPolarHBondContact OD1-CB 3.42Å; N211-S213 PolarHBondContact OD1-N 2.78Å; N211-S213 PolarHBondContact OD1-OG 3.49Å; S213-L215 WeakPolarHBondContact O-CG 3.41Å; S213-L215 PolarHBondContact O-N 2.87Å; S213-D239 PolarHBondContact N-O 3.15Å; S213-S241 CarbonylContact C-O 3.48Å; S213-S241 WeakPolarHBondContact CA-O 3.27Å; S213-S241 WeakPolarHBondContact CB-O 3.35Å; S213-S241 VanDerWaalsContact CB-OG 3.29Å; S213-S241 WeakPolarHBondContact CB-OG 3.39Å
214	E	87.8	Confident	85.4	Confident	97 Å²	97	52.8 Å²	52.8	45%	0.453	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	21.1	169.6	-62.3	174.5	-157.6	0	0	114.9	H216 S241 Y242	E214-H216 VanDerWaalsContact C-N 3.31Å; E214-H216 PolarHBondContact O-CE1 2.72Å; E214-H216 PolarHBondContact O-ND1 3.44Å; E214-S241 PolarHBondContact N-O 2.96Å; E214-Y242 WeakPolarHBondContact CA-O 3.38Å; E214-Y242 HydrophobicContact CG-CD2 4.11Å; E214-Y242 HydrophobicContact CG-CG 4.27Å
215	L	87.8	Confident	85.8	Confident	12 Å²	12	48.2 Å²	48.2	6%	0.063	24%	0.237	C	C	.	.	S	Bend	trans	-87	0.1	-180	-63	177.5	0	0	0	113.2	V197 R200 L212 S213 L217 N243	V197-L215 HydrophobicContact CB-CD1 4.5Å; V197-L215 HydrophobicContact CG2-CD1 4.02Å; R200-L215 HydrophobicContact CB-CD1 4.25Å; R200-L215 HydrophobicContact CB-CD2 4.21Å; R200-L215 HydrophobicContact CG-CD1 4.22Å; L212-L215 HydrophobicContact CB-CD1 4.12Å; L212-L215 HydrophobicContact CD2-CD1 3.91Å; L212-L215 WeakPolarHBondContact O-CD1 3.42Å; L212-L215 WeakPolarHBondContact O-CG 3.39Å; S213-L215 WeakPolarHBondContact O-CG 3.41Å; S213-L215 PolarHBondContact O-N 2.87Å; L215-L217 HydrophobicContact CB-CD1 3.83Å; L215-L217 HydrophobicContact CB-CD2 4.14Å; L215-L217 HydrophobicContact CB-CG 3.64Å; L215-L217 HydrophobicContact CD1-CD1 4.16Å; L215-L217 PolarHBondContact O-N 3.22Å; L215-N243 WeakPolarHBondContact CA-OD1 3.41Å; L215-N243 WeakPolarHBondContact CB-OD1 3.39Å; L215-N243 PolarHBondContact N-OD1 2.57Å; L215-N243 VanDerWaalsContact N-OD1 3.1Å
216	H	81.9	Confident	85.9	Confident	148 Å²	148	47.9 Å²	47.9	69%	0.685	23%	0.234	S	C	*	.			trans	54	39.5	177.8	-57.2	72.3	0	0	0	112.5	E214 S218 N243	E214-H216 VanDerWaalsContact C-N 3.31Å; E214-H216 PolarHBondContact O-CE1 2.72Å; E214-H216 PolarHBondContact O-ND1 3.44Å; H216-S218 PolarHBondContact O-N 3.14Å; H216-S218 VanDerWaalsContact O-N 3.1Å; H216-N243 CarbonylContact C-O 3.55Å; H216-N243 PolarHBondContact N-OD1 2.81Å
217	L	79	Confident	86	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.005	23%	0.229	C	C	.	.			trans	-80	89.6	-175.7	-59.2	174.3	0	0	0	111.3	V197 L215 K221 F222 V225 N243	V197-L217 HydrophobicContact CG2-CD1 4.34Å; V197-L217 HydrophobicContact CG2-CD2 3.72Å; L215-L217 HydrophobicContact CB-CD1 3.83Å; L215-L217 HydrophobicContact CB-CD2 4.14Å; L215-L217 HydrophobicContact CB-CG 3.64Å; L215-L217 HydrophobicContact CD1-CD1 4.16Å; L215-L217 PolarHBondContact O-N 3.22Å; L217-K221 HydrophobicContact CD2-CB 4.03Å; L217-F222 HydrophobicContact CB-CB 4.08Å; L217-F222 HydrophobicContact CB-CD2 3.96Å; L217-F222 HydrophobicContact CB-CG 4.49Å; L217-F222 HydrophobicContact CD1-CD2 3.86Å; L217-F222 HydrophobicContact CD1-CE2 4.44Å; L217-V225 HydrophobicContact CD1-CB 4.5Å; L217-V225 HydrophobicContact CD1-CG2 3.97Å; L217-N243 CarbonylContact C-O 3.46Å; L217-N243 VanDerWaalsContact C-O 3.32Å; L217-N243 HydrophobicContact CB-CB 4.31Å; L217-N243 PolarHBondContact N-O 3.4Å; L217-N243 VanDerWaalsContact N-O 3.1Å; L217-N243 PolarHBondContact N-OD1 3.14Å
218	S	71.4	Confident	86.3	Confident	55 Å²	55	45.3 Å²	45.3	39%	0.385	22%	0.217	S	C	.	.			trans	-55.2	157.5	163.9	68.2	0	0	0	0	111.6	H216 L220 K221 F222	H216-S218 PolarHBondContact O-N 3.14Å; H216-S218 VanDerWaalsContact O-N 3.1Å; S218-L220 PolarHBondContact O-N 2.9Å; S218-K221 CarbonylContact O-C 3.1Å; S218-K221 WeakPolarHBondContact O-CA 3.39Å; S218-K221 PolarHBondContact O-N 3.29Å; S218-F222 PolarHBondContact O-N 3.18Å
219	K	73.6	Confident	86.3	Confident	96 Å²	96	41.8 Å²	41.8	42%	0.417	20%	0.202	S	C	.	.	H	α-helix	trans	-34.8	-51.7	-178.6	-176.6	-176.8	-170.1	130.3	0	114.5	F222 Q223 D248	K219-F222 PolarHBondContact O-N 3.06Å; K219-Q223 PolarHBondContact O-N 3.26Å; K219-D248 WeakPolarHBondContact CD-OD2 3.26Å; K219-D248 VanDerWaalsContact CE-CG 3.42Å; K219-D248 VanDerWaalsContact CE-OD1 3.28Å; K219-D248 WeakPolarHBondContact CE-OD1 3.42Å; K219-D248 WeakPolarHBondContact CE-OD2 3.47Å; K219-D248 HydrophobicContact CG-CB 4.21Å; K219-D248 WeakPolarHBondContact CG-OD2 3.46Å; K219-D248 IonicContact NZ-OD1 3.41Å; K219-D248 PolarHBondContact NZ-OD1 3.01Å; K219-D248 IonicContact NZ-OD2 2.87Å; K219-D248 PolarHBondContact NZ-OD2 3.29Å
220	L	75.6	Confident	86	Confident	119 Å²	119	39.3 Å²	39.3	62%	0.623	19%	0.193	S	C	*	.	H	α-helix	trans	-68.3	-44.9	-179.3	-64.4	176.1	0	0	0	113	S218 F222 Q223	S218-L220 PolarHBondContact O-N 2.9Å; L220-F222 PolarHBondContact O-N 3.41Å; L220-Q223 PolarHBondContact O-N 2.92Å
221	K	80.6	Confident	85.7	Confident	91 Å²	91	45.4 Å²	45.4	40%	0.396	22%	0.222	S	C	.	.	H	α-helix	trans	-70.2	-22.3	177.7	-68.4	-177.6	178.3	177.7	0	112.5	V194 L217 S218	V194-K221 HydrophobicContact CG2-CD 4.37Å; L217-K221 HydrophobicContact CD2-CB 4.03Å; S218-K221 CarbonylContact O-C 3.1Å; S218-K221 WeakPolarHBondContact O-CA 3.39Å; S218-K221 PolarHBondContact O-N 3.29Å
222	F	84.1	Confident	85.4	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-76.9	-25	175.7	-166.1	-117.2	0	0	0	113.1	L217 S218 K219 L220 V225 G226 L229 L240 F245 L252	L217-F222 HydrophobicContact CB-CB 4.08Å; L217-F222 HydrophobicContact CB-CD2 3.96Å; L217-F222 HydrophobicContact CB-CG 4.49Å; L217-F222 HydrophobicContact CD1-CD2 3.86Å; L217-F222 HydrophobicContact CD1-CE2 4.44Å; S218-F222 PolarHBondContact O-N 3.18Å; K219-F222 PolarHBondContact O-N 3.06Å; L220-F222 PolarHBondContact O-N 3.41Å; F222-V225 HydrophobicContact CD2-CB 4.28Å; F222-V225 HydrophobicContact CD2-CG1 4.43Å; F222-V225 HydrophobicContact CE2-CB 4.42Å; F222-V225 HydrophobicContact CE2-CG1 4.12Å; F222-V225 CarbonylContact O-C 3.59Å; F222-V225 WeakPolarHBondContact O-CA 3.45Å; F222-V225 WeakPolarHBondContact O-CB 3.44Å; F222-V225 PolarHBondContact O-N 3.38Å; F222-V225 VanDerWaalsContact O-N 3.1Å; F222-G226 PolarHBondContact O-N 2.87Å; F222-L229 HydrophobicContact CZ-CD1 4.47Å; F222-L240 HydrophobicContact CE2-CD2 3.52Å; F222-L240 HydrophobicContact CZ-CD1 4.06Å; F222-L240 HydrophobicContact CZ-CD2 3.67Å; F222-F245 HydrophobicContact CB-CB 4.5Å; F222-F245 HydrophobicContact CD1-CB 4.23Å; F222-F245 HydrophobicContact CD1-CD1 4.36Å; F222-F245 HydrophobicContact CD1-CG 4.45Å; F222-F245 HydrophobicContact CD2-CD1 4.08Å; F222-F245 HydrophobicContact CE1-CD1 4.25Å; F222-F245 HydrophobicContact CE2-CD1 4Å; F222-F245 HydrophobicContact CE2-CE1 4.28Å; F222-F245 HydrophobicContact CG-CB 4.26Å; F222-F245 HydrophobicContact CG-CD1 4.28Å; F222-F245 HydrophobicContact CZ-CD1 4.08Å; F222-F245 HydrophobicContact CZ-CE1 4.23Å; F222-L252 HydrophobicContact CD1-CD2 4.44Å; F222-L252 HydrophobicContact CE1-CB 4.31Å; F222-L252 HydrophobicContact CE1-CD2 3.39Å; F222-L252 HydrophobicContact CE1-CG 4.48Å; F222-L252 HydrophobicContact CZ-CD2 3.62Å
223	Q	85.8	Confident	85	Confident	24 Å²	24	48.5 Å²	48.5	11%	0.112	24%	0.239	C	C	.	.	H	α-helix	trans	-60.1	-44.7	-175.7	-78.7	-51	-64.1	0	0	116	W138 L189 K219 L220 V225 G226 N227	W138-Q223 HydrophobicContact CE3-CG 4.4Å; W138-Q223 HydrophobicContact CH2-CG 3.78Å; W138-Q223 HydrophobicContact CZ3-CG 3.53Å; L189-Q223 HydrophobicContact CD1-CB 3.76Å; K219-Q223 PolarHBondContact O-N 3.26Å; L220-Q223 PolarHBondContact O-N 2.92Å; Q223-V225 PolarHBondContact O-N 3.16Å; Q223-G226 PolarHBondContact O-N 3.36Å; Q223-G226 VanDerWaalsContact O-N 3.16Å; Q223-N227 PolarHBondContact O-N 2.87Å
224	P	90.3	Very high	84.9	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.006	26%	0.258	C	S	.	.	H	α-helix	trans	-64.9	-28.5	176.3	-17.4	28.8	0	0	0	112.9	Y182 N185 C186 L189 C191 L228	Y182-P224 HydrophobicContact CD2-CB 4.13Å; Y182-P224 HydrophobicContact CE2-CB 3.82Å; N185-P224 HydrophobicContact CB-CB 4.05Å; C186-P224 HydrophobicContact CB-CB 4.47Å; C186-P224 WeakPolarHBondContact SG-CB 3.44Å; L189-P224 HydrophobicContact CD1-CB 4.17Å; L189-P224 HydrophobicContact CD1-CG 3.75Å; C191-P224 WeakPolarHBondContact SG-CG 3.3Å; P224-L228 WeakPolarHBondContact O-CB 3.35Å; P224-L228 PolarHBondContact O-N 3.45Å
225	V	90.5	Very high	85.1	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-73.8	-40.5	173.6	-178.4	0	0	0	0	110.7	Y182 V197 L212 L217 F222 Q223 L228 L229	Y182-V225 HydrophobicContact CD2-CG2 4.15Å; Y182-V225 HydrophobicContact CE2-CG2 3.58Å; V197-V225 HydrophobicContact CG1-CG2 3.94Å; V197-V225 HydrophobicContact CG2-CG2 4.34Å; L212-V225 HydrophobicContact CD1-CG1 3.61Å; L212-V225 HydrophobicContact CD2-CG1 4.32Å; L212-V225 HydrophobicContact CG-CG1 4.48Å; L217-V225 HydrophobicContact CD1-CB 4.5Å; L217-V225 HydrophobicContact CD1-CG2 3.97Å; F222-V225 HydrophobicContact CD2-CB 4.28Å; F222-V225 HydrophobicContact CD2-CG1 4.43Å; F222-V225 HydrophobicContact CE2-CB 4.42Å; F222-V225 HydrophobicContact CE2-CG1 4.12Å; F222-V225 CarbonylContact O-C 3.59Å; F222-V225 WeakPolarHBondContact O-CA 3.45Å; F222-V225 WeakPolarHBondContact O-CB 3.44Å; F222-V225 PolarHBondContact O-N 3.38Å; F222-V225 VanDerWaalsContact O-N 3.1Å; Q223-V225 PolarHBondContact O-N 3.16Å; V225-L228 WeakPolarHBondContact O-CB 3.39Å; V225-L228 PolarHBondContact O-N 2.98Å; V225-L229 HydrophobicContact CG1-CD1 4.17Å; V225-L229 WeakPolarHBondContact O-CB 3.44Å; V225-L229 VanDerWaalsContact O-CG 3.31Å; V225-L229 WeakPolarHBondContact O-CG 3.38Å; V225-L229 PolarHBondContact O-N 2.99Å
226	G	89.1	Confident	85.4	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62.1	-42.6	174.1	0	0	0	0	0	112.5	F222 Q223 L229 K230 L252	F222-G226 PolarHBondContact O-N 2.87Å; Q223-G226 PolarHBondContact O-N 3.36Å; Q223-G226 VanDerWaalsContact O-N 3.16Å; G226-L229 PolarHBondContact O-N 3.41Å; G226-K230 WeakPolarHBondContact O-CG 3.26Å; G226-K230 PolarHBondContact O-N 3.49Å; G226-K230 VanDerWaalsContact O-N 3.13Å; G226-L252 VanDerWaalsContact CA-CD2 3.47Å
227	N	89.6	Confident	86.1	Confident	44 Å²	44	44.3 Å²	44.3	24%	0.235	22%	0.221	C	C	.	.	H	α-helix	trans	-68.5	-33.3	174	-71.1	-10.7	0	0	0	112.6	N185 Q223	N185-N227 HydrophobicContact CB-CB 4.32Å; N185-N227 VanDerWaalsContact ND2-C 3.28Å; N185-N227 WeakPolarHBondContact ND2-CB 3.32Å; Q223-N227 PolarHBondContact O-N 2.87Å
228	L	91.3	Very high	86.9	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.2	-48.7	170.4	172.4	72.5	0	0	0	110.6	L178 I181 N185 L201 P224 V225 K230 E231 C232	L178-L228 HydrophobicContact CD2-CD1 4.03Å; L178-L228 WeakPolarHBondContact O-CD1 3.13Å; I181-L228 HydrophobicContact CB-CD1 3.7Å; I181-L228 HydrophobicContact CG2-CD1 3.54Å; N185-L228 PolarHBondContact ND2-N 2.88Å; N185-L228 VanDerWaalsContact ND2-N 3.14Å; L201-L228 HydrophobicContact CD1-CD2 3.91Å; L201-L228 HydrophobicContact CD2-CD2 3.6Å; L201-L228 HydrophobicContact CG-CD2 4.42Å; P224-L228 WeakPolarHBondContact O-CB 3.35Å; P224-L228 PolarHBondContact O-N 3.45Å; V225-L228 WeakPolarHBondContact O-CB 3.39Å; V225-L228 PolarHBondContact O-N 2.98Å; L228-K230 PolarHBondContact O-N 3.01Å; L228-E231 PolarHBondContact O-N 3.31Å; L228-C232 PolarHBondContact O-SG 3.35Å
229	L	90.6	Very high	88	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-58.3	-36.6	-178.4	-75.2	166.1	0	0	0	111.8	M210 L212 F222 V225 G226 E231 C232 L235 L238 L240 L252 L256 F260	M210-L229 HydrophobicContact SD-CD2 3.59Å; M210-L229 VanDerWaalsContact SD-CD2 3.59Å; L212-L229 HydrophobicContact CD1-CD1 4.18Å; L212-L229 HydrophobicContact CD1-CD2 4.06Å; L212-L229 HydrophobicContact CD1-CG 4.32Å; F222-L229 HydrophobicContact CZ-CD1 4.47Å; V225-L229 HydrophobicContact CG1-CD1 4.17Å; V225-L229 WeakPolarHBondContact O-CB 3.44Å; V225-L229 VanDerWaalsContact O-CG 3.31Å; V225-L229 WeakPolarHBondContact O-CG 3.38Å; V225-L229 PolarHBondContact O-N 2.99Å; G226-L229 PolarHBondContact O-N 3.41Å; L229-E231 PolarHBondContact O-N 2.92Å; L229-C232 WeakPolarHBondContact O-CB 3.4Å; L229-C232 PolarHBondContact O-N 2.95Å; L229-L235 HydrophobicContact CD2-CD2 3.73Å; L229-L238 HydrophobicContact CD1-CD1 4.23Å; L229-L238 HydrophobicContact CD1-CD2 4.43Å; L229-L238 HydrophobicContact CD2-CD1 3.63Å; L229-L238 HydrophobicContact CD2-CD2 4.34Å; L229-L240 HydrophobicContact CD1-CD2 4.44Å; L229-L252 HydrophobicContact CD1-CD2 3.92Å; L229-L256 HydrophobicContact CB-CD1 3.95Å; L229-L256 HydrophobicContact CB-CD2 4.15Å; L229-L256 HydrophobicContact CD1-CD1 4.21Å; L229-F260 WeakPolarHBondContact O-CE2 3.21Å; L229-F260 WeakPolarHBondContact O-CZ 3.43Å
230	K	86.9	Confident	88.9	Confident	72 Å²	72	38.7 Å²	38.7	31%	0.313	19%	0.191	S	C	.	.	H	α-helix	trans	-63.5	-22.1	176.7	-71.5	179.2	-179.3	174	0	115.2	G226 L228 C232 L252 Y255 L256	G226-K230 WeakPolarHBondContact O-CG 3.26Å; G226-K230 PolarHBondContact O-N 3.49Å; G226-K230 VanDerWaalsContact O-N 3.13Å; L228-K230 PolarHBondContact O-N 3.01Å; K230-C232 VanDerWaalsContact C-N 3.33Å; K230-L252 HydrophobicContact CG-CD1 4.34Å; K230-Y255 HydrophobicContact CD-CD1 4.33Å; K230-Y255 HydrophobicContact CD-CE1 3.86Å; K230-Y255 HydrophobicContact CG-CD1 4.11Å; K230-Y255 HydrophobicContact CG-CE1 3.71Å; K230-L256 HydrophobicContact CG-CD2 4.14Å
231	E	86.2	Confident	89.7	Confident	130 Å²	130	33.2 Å²	33.2	61%	0.607	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-5.5	175.4	-55.7	-67.3	151.1	0	0	112.2	I181 L228 L229 N233	I181-E231 HydrophobicContact CG2-CG 4.26Å; L228-E231 PolarHBondContact O-N 3.31Å; L229-E231 PolarHBondContact O-N 2.92Å; E231-N233 PolarHBondContact O-N 3.31Å
232	C	87.4	Confident	90.1	Very high	10 Å²	10	33 Å²	33	7%	0.068	16%	0.16	C	C	.	.			trans	-97.4	63.7	-169.3	-60.1	0	0	0	0	112.3	M210 L228 L229 K230 E234 L235 F260	M210-C232 HydrophobicContact CE-CB 4.05Å; M210-C232 WeakPolarHBondContact CE-SG 3.43Å; L228-C232 PolarHBondContact O-SG 3.35Å; L229-C232 WeakPolarHBondContact O-CB 3.4Å; L229-C232 PolarHBondContact O-N 2.95Å; K230-C232 VanDerWaalsContact C-N 3.33Å; C232-E234 PolarHBondContact O-N 3.36Å; C232-L235 HydrophobicContact CB-CB 4.29Å; C232-L235 WeakPolarHBondContact O-CB 3.33Å; C232-L235 PolarHBondContact O-N 3.19Å; C232-F260 VanDerWaalsContact O-CE2 3.3Å; C232-F260 WeakPolarHBondContact O-CE2 3.39Å
233	N	84.3	Confident	90.1	Very high	107 Å²	107	33 Å²	33	57%	0.572	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-18.7	-170.8	-61.1	-6.2	0	0	0	115.2	E231	E231-N233 PolarHBondContact O-N 3.31Å
234	E	89.3	Confident	89.7	Confident	102 Å²	102	35.1 Å²	35.1	48%	0.477	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	7	176.4	-61	-164.4	-174.4	0	0	114.1	T207 K208 C232 E236	T207-E234 CarbonylContact O-C 3.57Å; K208-E234 WeakPolarHBondContact CE-OE2 3.21Å; K208-E234 HydrophobicContact CG-CB 4.24Å; K208-E234 IonicContact NZ-OE2 3.19Å; K208-E234 PolarHBondContact NZ-OE2 2.92Å; C232-E234 PolarHBondContact O-N 3.36Å; E234-E236 PolarHBondContact O-N 3.02Å; E234-E236 VanDerWaalsContact O-N 3.12Å
235	L	91.7	Very high	88.9	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.173	C	C	.	.			trans	-63.6	112.7	-173.9	-174.2	64.8	0	0	0	112	T207 M210 L229 C232 T237 L238 F260 F262 L263	T207-L235 WeakPolarHBondContact O-CA 3.28Å; T207-L235 PolarHBondContact O-N 3.06Å; M210-L235 HydrophobicContact CB-CD1 3.99Å; M210-L235 HydrophobicContact CG-CD1 3.73Å; M210-L235 HydrophobicContact SD-CD1 4.46Å; L229-L235 HydrophobicContact CD2-CD2 3.73Å; C232-L235 HydrophobicContact CB-CB 4.29Å; C232-L235 WeakPolarHBondContact O-CB 3.33Å; C232-L235 PolarHBondContact O-N 3.19Å; L235-T237 WeakPolarHBondContact CD1-O 3.22Å; L235-L238 HydrophobicContact CD2-CB 4.16Å; L235-L238 HydrophobicContact CD2-CD1 4.33Å; L235-L238 HydrophobicContact CD2-CD2 4.14Å; L235-L238 HydrophobicContact CD2-CG 4.44Å; L235-F260 HydrophobicContact CB-CD2 4.23Å; L235-F260 HydrophobicContact CB-CE2 4.34Å; L235-F260 HydrophobicContact CD2-CE2 4.41Å; L235-F262 CarbonylContact O-C 3.52Å; L235-L263 HydrophobicContact CD2-CD1 4.41Å; L235-L263 HydrophobicContact CG-CD1 4.15Å; L235-L263 WeakPolarHBondContact O-CA 3.48Å; L235-L263 PolarHBondContact O-N 3.23Å
236	E	95.3	Very high	88.2	Confident	39 Å²	39	39.7 Å²	39.7	18%	0.182	19%	0.194	C	C	.	.			trans	-96.3	-34.1	178.6	-61.4	-165.7	-131.6	0	0	112.7	K208 E234 F262 K264 H265	K208-E236 PolarHBondContact O-N 3.39Å; E234-E236 PolarHBondContact O-N 3.02Å; E234-E236 VanDerWaalsContact O-N 3.12Å; E236-F262 WeakPolarHBondContact CA-O 3.39Å; E236-F262 HydrophobicContact CG-CB 4.32Å; E236-K264 PolarHBondContact O-N 2.9Å; E236-K264 IonicContact OE2-NZ 2.85Å; E236-K264 PolarHBondContact OE2-NZ 2.86Å; E236-H265 PolarHBondContact O-N 2.92Å
237	T	96.4	Very high	87.8	Confident	39 Å²	39	40.4 Å²	40.4	24%	0.239	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	127.1	-176.2	-57.9	0	0	0	0	111.7	K208 Y209 M210 L235 H265	K208-T237 PolarHBondContact O-N 2.93Å; Y209-T237 WeakPolarHBondContact CA-O 3.34Å; Y209-T237 HydrophobicContact CD1-CG2 4.27Å; M210-T237 PolarHBondContact N-O 3.38Å; L235-T237 WeakPolarHBondContact CD1-O 3.22Å; T237-H265 WeakPolarHBondContact CA-O 3.38Å; T237-H265 HydrophobicContact CG2-CB 4.09Å; T237-H265 PolarHBondContact OG1-CD2 3.18Å
238	L	95.2	Very high	87.3	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	113.9	-178.8	178.7	54.8	0	0	0	111.1	M210 L212 L229 L235 L240 L256 L263 H265 I266 N267	M210-L238 HydrophobicContact CB-CD1 4.16Å; L212-L238 HydrophobicContact CD1-CD1 4.3Å; L229-L238 HydrophobicContact CD1-CD1 4.23Å; L229-L238 HydrophobicContact CD1-CD2 4.43Å; L229-L238 HydrophobicContact CD2-CD1 3.63Å; L229-L238 HydrophobicContact CD2-CD2 4.34Å; L235-L238 HydrophobicContact CD2-CB 4.16Å; L235-L238 HydrophobicContact CD2-CD1 4.33Å; L235-L238 HydrophobicContact CD2-CD2 4.14Å; L235-L238 HydrophobicContact CD2-CG 4.44Å; L238-L240 HydrophobicContact CD1-CD1 4.34Å; L238-L240 HydrophobicContact CD1-CD2 4.22Å; L238-L240 HydrophobicContact CD1-CG 3.85Å; L238-L240 HydrophobicContact CD2-CD1 3.83Å; L238-L240 HydrophobicContact CD2-CG 4.24Å; L238-L240 HydrophobicContact CG-CD1 4.01Å; L238-L240 HydrophobicContact CG-CG 3.86Å; L238-L256 HydrophobicContact CD2-CD1 3.82Å; L238-L263 HydrophobicContact CB-CD1 3.95Å; L238-H265 PolarHBondContact N-O 3.48Å; L238-I266 WeakPolarHBondContact O-CA 3.45Å; L238-N267 PolarHBondContact O-N 2.94Å
239	D	94.8	Very high	86.8	Confident	33 Å²	33	40.1 Å²	40.1	18%	0.176	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	118.3	169.1	-160.2	-35.8	0	0	0	110.3	M210 N211 L212 S213 S241 N267	M210-D239 PolarHBondContact O-N 2.62Å; N211-D239 HydrophobicContact CB-CB 4.44Å; L212-D239 CarbonylContact C-O 3.57Å; L212-D239 WeakPolarHBondContact CA-O 3.32Å; L212-D239 PolarHBondContact N-O 3.11Å; S213-D239 PolarHBondContact N-O 3.15Å; D239-S241 VanDerWaalsContact OD1-CB 3.28Å; D239-S241 WeakPolarHBondContact OD1-CB 3.36Å; D239-S241 PolarHBondContact OD1-N 2.99Å; D239-S241 PolarHBondContact OD1-OG 3.49Å; D239-N267 HydrophobicContact CB-CB 4.29Å; D239-N267 VanDerWaalsContact CG-ND2 3.26Å; D239-N267 PolarHBondContact OD1-ND2 3.21Å; D239-N267 PolarHBondContact OD2-ND2 3.49Å
240	L	92.6	Very high	86.6	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.196	C	C	.	.			trans	-120.6	12.7	-179.9	-80.1	178.8	0	0	0	111.9	L212 F222 L229 L238 N243 F245 V253 N267 L268 N271	L212-L240 HydrophobicContact CB-CD2 4.15Å; L212-L240 HydrophobicContact CD1-CD2 4.42Å; F222-L240 HydrophobicContact CE2-CD2 3.52Å; F222-L240 HydrophobicContact CZ-CD1 4.06Å; F222-L240 HydrophobicContact CZ-CD2 3.67Å; L229-L240 HydrophobicContact CD1-CD2 4.44Å; L238-L240 HydrophobicContact CD1-CD1 4.34Å; L238-L240 HydrophobicContact CD1-CD2 4.22Å; L238-L240 HydrophobicContact CD1-CG 3.85Å; L238-L240 HydrophobicContact CD2-CD1 3.83Å; L238-L240 HydrophobicContact CD2-CG 4.24Å; L238-L240 HydrophobicContact CG-CD1 4.01Å; L238-L240 HydrophobicContact CG-CG 3.86Å; L240-N243 PolarHBondContact O-ND2 3.21Å; L240-F245 HydrophobicContact CB-CE1 3.82Å; L240-F245 HydrophobicContact CB-CZ 3.9Å; L240-F245 HydrophobicContact CD1-CE1 4.38Å; L240-F245 HydrophobicContact CD1-CZ 4.33Å; L240-F245 HydrophobicContact CD2-CE1 4.26Å; L240-F245 HydrophobicContact CG-CE1 4.39Å; L240-F245 WeakPolarHBondContact O-CE1 3.41Å; L240-V253 HydrophobicContact CD1-CG2 3.65Å; L240-N267 PolarHBondContact N-O 3.25Å; L240-L268 HydrophobicContact CB-CD2 4.07Å; L240-L268 HydrophobicContact CD1-CD2 4.25Å; L240-N271 PolarHBondContact O-ND2 3.44Å
241	S	91.7	Very high	86.7	Confident	4 Å²	4	40.9 Å²	40.9	3%	0.028	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	148	-172.2	56.4	0	0	0	0	114.3	S213 E214 D239 N243 N267 S269	S213-S241 CarbonylContact C-O 3.48Å; S213-S241 WeakPolarHBondContact CA-O 3.27Å; S213-S241 WeakPolarHBondContact CB-O 3.35Å; S213-S241 VanDerWaalsContact CB-OG 3.29Å; S213-S241 WeakPolarHBondContact CB-OG 3.39Å; E214-S241 PolarHBondContact N-O 2.96Å; D239-S241 VanDerWaalsContact OD1-CB 3.28Å; D239-S241 WeakPolarHBondContact OD1-CB 3.36Å; D239-S241 PolarHBondContact OD1-N 2.99Å; D239-S241 PolarHBondContact OD1-OG 3.49Å; S241-N243 PolarHBondContact O-N 3.06Å; S241-N243 PolarHBondContact O-ND2 2.97Å; S241-N267 PolarHBondContact N-O 3.5Å; S241-N267 PolarHBondContact OG-ND2 3.42Å; S241-S269 CarbonylContact C-O 3.45Å; S241-S269 WeakPolarHBondContact CA-O 3.48Å; S241-S269 WeakPolarHBondContact CB-O 3.33Å
242	Y	88.7	Confident	86.6	Confident	86 Å²	86	35.3 Å²	35.3	34%	0.337	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	44.8	175.7	-50.6	-82.8	0	0	0	115.2	E214 S269	E214-Y242 WeakPolarHBondContact CA-O 3.38Å; E214-Y242 HydrophobicContact CG-CD2 4.11Å; E214-Y242 HydrophobicContact CG-CG 4.27Å; Y242-S269 PolarHBondContact N-O 3.32Å
243	N	84.6	Confident	86.7	Confident	1 Å²	1	35 Å²	35	1%	0.005	17%	0.174	C	C	.	.			trans	-105	-20.4	175.8	-82.3	-63.8	0	0	0	114.8	L212 L215 H216 L217 L240 S241 F245 N271	L212-N243 PolarHBondContact O-ND2 2.81Å; L212-N243 PolarHBondContact O-OD1 2.84Å; L215-N243 WeakPolarHBondContact CA-OD1 3.41Å; L215-N243 WeakPolarHBondContact CB-OD1 3.39Å; L215-N243 PolarHBondContact N-OD1 2.57Å; L215-N243 VanDerWaalsContact N-OD1 3.1Å; H216-N243 CarbonylContact C-O 3.55Å; H216-N243 PolarHBondContact N-OD1 2.81Å; L217-N243 CarbonylContact C-O 3.46Å; L217-N243 VanDerWaalsContact C-O 3.32Å; L217-N243 HydrophobicContact CB-CB 4.31Å; L217-N243 PolarHBondContact N-O 3.4Å; L217-N243 VanDerWaalsContact N-O 3.1Å; L217-N243 PolarHBondContact N-OD1 3.14Å; L240-N243 PolarHBondContact O-ND2 3.21Å; S241-N243 PolarHBondContact O-N 3.06Å; S241-N243 PolarHBondContact O-ND2 2.97Å; N243-F245 HydrophobicContact CB-CD1 3.53Å; N243-F245 HydrophobicContact CB-CE1 3.73Å; N243-N271 WeakPolarHBondContact CA-OD1 3.48Å; N243-N271 PolarHBondContact N-OD1 3.39Å
244	N	77.4	Confident	87	Confident	69 Å²	69	32.4 Å²	32.4	37%	0.369	16%	0.158	S	C	.	.			trans	58.4	44.6	-177.7	-159.5	82	0	0	0	113.6	E246 N271 H272	N244-E246 VanDerWaalsContact C-N 3.31Å; N244-N271 PolarHBondContact N-OD1 3.11Å; N244-H272 PolarHBondContact OD1-CD2 2.92Å; N244-H272 VanDerWaalsContact OD1-CD2 3.3Å
245	F	73.5	Confident	87	Confident	4 Å²	4	32 Å²	32	2%	0.018	15%	0.153	C	C	.	.			trans	-87.3	2.5	168.2	51.8	-120.1	0	0	0	113.7	F222 L240 N243 N247 D248 G249 L268 N271	F222-F245 HydrophobicContact CB-CB 4.5Å; F222-F245 HydrophobicContact CD1-CB 4.23Å; F222-F245 HydrophobicContact CD1-CD1 4.36Å; F222-F245 HydrophobicContact CD1-CG 4.45Å; F222-F245 HydrophobicContact CD2-CD1 4.08Å; F222-F245 HydrophobicContact CE1-CD1 4.25Å; F222-F245 HydrophobicContact CE2-CD1 4Å; F222-F245 HydrophobicContact CE2-CE1 4.28Å; F222-F245 HydrophobicContact CG-CB 4.26Å; F222-F245 HydrophobicContact CG-CD1 4.28Å; F222-F245 HydrophobicContact CZ-CD1 4.08Å; F222-F245 HydrophobicContact CZ-CE1 4.23Å; L240-F245 HydrophobicContact CB-CE1 3.82Å; L240-F245 HydrophobicContact CB-CZ 3.9Å; L240-F245 HydrophobicContact CD1-CE1 4.38Å; L240-F245 HydrophobicContact CD1-CZ 4.33Å; L240-F245 HydrophobicContact CD2-CE1 4.26Å; L240-F245 HydrophobicContact CG-CE1 4.39Å; L240-F245 WeakPolarHBondContact O-CE1 3.41Å; N243-F245 HydrophobicContact CB-CD1 3.53Å; N243-F245 HydrophobicContact CB-CE1 3.73Å; F245-N247 PolarHBondContact O-N 3.13Å; F245-D248 PolarHBondContact O-N 3.07Å; F245-G249 PolarHBondContact O-N 3.43Å; F245-L268 HydrophobicContact CZ-CD2 4.46Å; F245-N271 HydrophobicContact CD2-CB 4.39Å; F245-N271 HydrophobicContact CE2-CB 3.85Å; F245-N271 HydrophobicContact CZ-CB 4.08Å; F245-N271 VanDerWaalsContact CZ-CG 3.41Å; F245-N271 VanDerWaalsContact CZ-ND2 3.29Å; F245-N271 WeakPolarHBondContact CZ-ND2 3.47Å
246	E	75.6	Confident	86.8	Confident	93 Å²	93	32 Å²	32	44%	0.435	15%	0.153	S	C	.	.	H	α-helix	trans	49.6	-127.8	176.1	-58	178.4	-159.6	0	0	112.7	N244	N244-E246 VanDerWaalsContact C-N 3.31Å
247	N	80.4	Confident	86.5	Confident	14 Å²	14	30.6 Å²	30.6	8%	0.075	15%	0.147	C	C	.	.	H	α-helix	trans	-73.4	-31.5	-177.9	-63.3	-10.1	0	0	0	112.6	F245 G249 L250 I251 N274 E276 A277	F245-N247 PolarHBondContact O-N 3.13Å; N247-G249 PolarHBondContact O-N 3.33Å; N247-L250 WeakPolarHBondContact O-CA 3.35Å; N247-L250 WeakPolarHBondContact O-CB 3.45Å; N247-L250 PolarHBondContact O-N 3.46Å; N247-I251 PolarHBondContact O-N 2.95Å; N247-N274 VanDerWaalsContact ND2-CG 3.26Å; N247-N274 PolarHBondContact ND2-ND2 3.41Å; N247-N274 PolarHBondContact ND2-OD1 3.22Å; N247-N274 VanDerWaalsContact OD1-CG 3.3Å; N247-N274 PolarHBondContact OD1-ND2 3.17Å; N247-N274 PolarHBondContact OD1-OD1 3.16Å; N247-E276 WeakPolarHBondContact ND2-CB 3.42Å; N247-E276 PolarHBondContact ND2-OE2 3.36Å; N247-A277 VanDerWaalsContact OD1-CB 3.24Å; N247-A277 WeakPolarHBondContact OD1-CB 3.48Å
248	D	80.1	Confident	86.2	Confident	39 Å²	39	32 Å²	32	21%	0.209	15%	0.151	C	C	.	.	H	α-helix	trans	-65.3	-40.9	-171.5	-69.3	-67.7	0	0	0	113	K219 F245 L250 I251 L252	K219-D248 WeakPolarHBondContact CD-OD2 3.26Å; K219-D248 VanDerWaalsContact CE-CG 3.42Å; K219-D248 VanDerWaalsContact CE-OD1 3.28Å; K219-D248 WeakPolarHBondContact CE-OD1 3.42Å; K219-D248 WeakPolarHBondContact CE-OD2 3.47Å; K219-D248 HydrophobicContact CG-CB 4.21Å; K219-D248 WeakPolarHBondContact CG-OD2 3.46Å; K219-D248 IonicContact NZ-OD1 3.41Å; K219-D248 PolarHBondContact NZ-OD1 3.01Å; K219-D248 IonicContact NZ-OD2 2.87Å; K219-D248 PolarHBondContact NZ-OD2 3.29Å; F245-D248 PolarHBondContact O-N 3.07Å; D248-L250 VanDerWaalsContact C-N 3.25Å; D248-L250 PolarHBondContact O-N 3.21Å; D248-I251 WeakPolarHBondContact O-CB 3.45Å; D248-I251 PolarHBondContact O-N 3.09Å; D248-L252 PolarHBondContact O-N 2.98Å; D248-L252 VanDerWaalsContact O-N 3.08Å
249	G	79.5	Confident	85.7	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-70.7	-23	174.8	0	0	0	0	0	112.9	F245 N247 L252 V253	F245-G249 PolarHBondContact O-N 3.43Å; N247-G249 PolarHBondContact O-N 3.33Å; G249-L252 PolarHBondContact O-N 3.27Å; G249-V253 VanDerWaalsContact O-CG2 3.22Å; G249-V253 WeakPolarHBondContact O-CG2 3.33Å; G249-V253 PolarHBondContact O-N 3.09Å
250	L	87	Confident	85.3	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-75.1	-32.7	171.5	-170.5	62.9	0	0	0	112.2	N247 D248 L252 V253 K254 L268 A277 L280 L281 I284	N247-L250 WeakPolarHBondContact O-CA 3.35Å; N247-L250 WeakPolarHBondContact O-CB 3.45Å; N247-L250 PolarHBondContact O-N 3.46Å; D248-L250 VanDerWaalsContact C-N 3.25Å; D248-L250 PolarHBondContact O-N 3.21Å; L250-L252 VanDerWaalsContact C-N 3.34Å; L250-V253 HydrophobicContact CD1-CB 4.37Å; L250-V253 HydrophobicContact CD1-CG1 4.41Å; L250-V253 PolarHBondContact O-N 3.04Å; L250-K254 PolarHBondContact O-N 2.95Å; L250-L268 HydrophobicContact CD1-CD1 3.67Å; L250-A277 HydrophobicContact CD2-CB 3.64Å; L250-A277 WeakPolarHBondContact CD2-O 3.24Å; L250-L280 HydrophobicContact CB-CD1 4.33Å; L250-L280 HydrophobicContact CD2-CB 3.61Å; L250-L280 HydrophobicContact CD2-CD1 4.25Å; L250-L280 HydrophobicContact CG-CB 3.97Å; L250-L280 HydrophobicContact CG-CD1 4.3Å; L250-L281 HydrophobicContact CD1-CD2 3.91Å; L250-L281 HydrophobicContact CD2-CD2 4.07Å; L250-L281 HydrophobicContact CD2-CG 3.91Å; L250-I284 HydrophobicContact CD1-CD1 3.53Å; L250-I284 HydrophobicContact CG-CD1 3.99Å
251	I	88.3	Confident	84.8	Confident	86 Å²	86	38.1 Å²	38.1	44%	0.441	19%	0.191	S	C	.	.	H	α-helix	trans	-62.1	-43.7	169.2	-63.3	170.6	0	0	0	110.1	N247 D248 K254 Y255 L280	N247-I251 PolarHBondContact O-N 2.95Å; D248-I251 WeakPolarHBondContact O-CB 3.45Å; D248-I251 PolarHBondContact O-N 3.09Å; I251-K254 PolarHBondContact O-N 3.47Å; I251-Y255 PolarHBondContact O-N 3.04Å; I251-Y255 VanDerWaalsContact O-N 3.1Å; I251-L280 HydrophobicContact CD1-CD1 4.46Å; I251-L280 HydrophobicContact CG1-CD1 3.59Å; I251-L280 HydrophobicContact CG1-CD2 4.38Å
252	L	85.8	Confident	84.7	Confident	14 Å²	14	43.2 Å²	43.2	7%	0.073	21%	0.212	C	C	.	.	H	α-helix	trans	-59.6	-47.9	172.2	179.4	74.1	0	0	0	111.2	F222 G226 L229 K230 D248 G249 L250 K254 Y255 L256	F222-L252 HydrophobicContact CD1-CD2 4.44Å; F222-L252 HydrophobicContact CE1-CB 4.31Å; F222-L252 HydrophobicContact CE1-CD2 3.39Å; F222-L252 HydrophobicContact CE1-CG 4.48Å; F222-L252 HydrophobicContact CZ-CD2 3.62Å; G226-L252 VanDerWaalsContact CA-CD2 3.47Å; L229-L252 HydrophobicContact CD1-CD2 3.92Å; K230-L252 HydrophobicContact CG-CD1 4.34Å; D248-L252 PolarHBondContact O-N 2.98Å; D248-L252 VanDerWaalsContact O-N 3.08Å; G249-L252 PolarHBondContact O-N 3.27Å; L250-L252 VanDerWaalsContact C-N 3.34Å; L252-K254 VanDerWaalsContact C-N 3.29Å; L252-K254 PolarHBondContact O-N 3.41Å; L252-Y255 WeakPolarHBondContact O-CA 3.5Å; L252-Y255 WeakPolarHBondContact O-CB 3.43Å; L252-Y255 PolarHBondContact O-N 2.92Å; L252-Y255 VanDerWaalsContact O-N 3.08Å; L252-L256 HydrophobicContact CD1-CD1 4.39Å; L252-L256 HydrophobicContact CD1-CD2 4.42Å; L252-L256 HydrophobicContact CD1-CG 4.22Å; L252-L256 HydrophobicContact CD2-CD1 4.06Å; L252-L256 HydrophobicContact CG-CD1 3.84Å; L252-L256 HydrophobicContact CG-CG 4.07Å; L252-L256 WeakPolarHBondContact O-CG 3.29Å; L252-L256 PolarHBondContact O-N 3.42Å
253	V	88	Confident	84.9	Confident	2 Å²	2	39.1 Å²	39.1	1%	0.012	20%	0.196	C	C	.	.	H	α-helix	trans	-61.1	-37.7	-179.8	166.8	0	0	0	0	112	L240 G249 L250 L256 L257 I266 L268 I284	L240-V253 HydrophobicContact CD1-CG2 3.65Å; G249-V253 VanDerWaalsContact O-CG2 3.22Å; G249-V253 WeakPolarHBondContact O-CG2 3.33Å; G249-V253 PolarHBondContact O-N 3.09Å; L250-V253 HydrophobicContact CD1-CB 4.37Å; L250-V253 HydrophobicContact CD1-CG1 4.41Å; L250-V253 PolarHBondContact O-N 3.04Å; V253-L256 PolarHBondContact O-N 2.87Å; V253-L257 HydrophobicContact CG1-CD1 4.01Å; V253-L257 HydrophobicContact CG1-CG 4.43Å; V253-L257 WeakPolarHBondContact O-CB 3.49Å; V253-L257 WeakPolarHBondContact O-CG 3.24Å; V253-L257 PolarHBondContact O-N 3.19Å; V253-I266 HydrophobicContact CG1-CD1 3.73Å; V253-I266 HydrophobicContact CG1-CG2 4.31Å; V253-L268 HydrophobicContact CG1-CD1 4.32Å; V253-L268 HydrophobicContact CG2-CD2 3.78Å; V253-I284 HydrophobicContact CG1-CD1 4.46Å
254	K	91.2	Very high	85.4	Confident	53 Å²	53	42.1 Å²	42.1	23%	0.23	21%	0.209	C	C	.	.	H	α-helix	trans	-57.4	-50.4	171.1	-179.8	-176.9	175.7	-68.5	0	110.9	L250 I251 L252 L257 E258 L280 T283 I284	L250-K254 PolarHBondContact O-N 2.95Å; I251-K254 PolarHBondContact O-N 3.47Å; L252-K254 VanDerWaalsContact C-N 3.29Å; L252-K254 PolarHBondContact O-N 3.41Å; K254-L257 PolarHBondContact O-N 3.18Å; K254-E258 IonicContact NZ-OE1 3.68Å; K254-E258 PolarHBondContact NZ-OE1 2.89Å; K254-E258 IonicContact NZ-OE2 3.72Å; K254-E258 PolarHBondContact NZ-OE2 3.05Å; K254-E258 WeakPolarHBondContact O-CG 3.44Å; K254-E258 PolarHBondContact O-N 2.94Å; K254-L280 HydrophobicContact CD-CD2 4.31Å; K254-T283 HydrophobicContact CD-CG2 4.4Å; K254-I284 HydrophobicContact CB-CD1 4.05Å; K254-I284 HydrophobicContact CB-CG1 3.87Å; K254-I284 HydrophobicContact CG-CG1 4.11Å
255	Y	88.4	Confident	86.4	Confident	95 Å²	95	41.9 Å²	41.9	37%	0.373	21%	0.206	S	C	.	.	H	α-helix	trans	-58.9	-49.8	178	177.2	-87.5	0	0	0	112.1	K230 I251 L252 L257 E258 D259	K230-Y255 HydrophobicContact CD-CD1 4.33Å; K230-Y255 HydrophobicContact CD-CE1 3.86Å; K230-Y255 HydrophobicContact CG-CD1 4.11Å; K230-Y255 HydrophobicContact CG-CE1 3.71Å; I251-Y255 PolarHBondContact O-N 3.04Å; I251-Y255 VanDerWaalsContact O-N 3.1Å; L252-Y255 WeakPolarHBondContact O-CA 3.5Å; L252-Y255 WeakPolarHBondContact O-CB 3.43Å; L252-Y255 PolarHBondContact O-N 2.92Å; L252-Y255 VanDerWaalsContact O-N 3.08Å; Y255-L257 VanDerWaalsContact C-N 3.3Å; Y255-L257 PolarHBondContact O-N 3Å; Y255-E258 PolarHBondContact O-N 3.48Å; Y255-E258 VanDerWaalsContact O-N 3.1Å; Y255-D259 WeakPolarHBondContact CE1-OD2 3.28Å; Y255-D259 PolarHBondContact O-N 2.91Å; Y255-D259 PolarHBondContact OH-OD2 2.9Å
256	L	88.9	Confident	87.5	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61.1	-38.1	178.8	-62.5	173.7	0	0	0	111.8	L229 K230 L238 L252 V253 E258 F260 L263	L229-L256 HydrophobicContact CB-CD1 3.95Å; L229-L256 HydrophobicContact CB-CD2 4.15Å; L229-L256 HydrophobicContact CD1-CD1 4.21Å; K230-L256 HydrophobicContact CG-CD2 4.14Å; L238-L256 HydrophobicContact CD2-CD1 3.82Å; L252-L256 HydrophobicContact CD1-CD1 4.39Å; L252-L256 HydrophobicContact CD1-CD2 4.42Å; L252-L256 HydrophobicContact CD1-CG 4.22Å; L252-L256 HydrophobicContact CD2-CD1 4.06Å; L252-L256 HydrophobicContact CG-CD1 3.84Å; L252-L256 HydrophobicContact CG-CG 4.07Å; L252-L256 WeakPolarHBondContact O-CG 3.29Å; L252-L256 PolarHBondContact O-N 3.42Å; V253-L256 PolarHBondContact O-N 2.87Å; L256-E258 VanDerWaalsContact C-N 3.34Å; L256-F260 HydrophobicContact CB-CD2 4.31Å; L256-F260 HydrophobicContact CD2-CD2 4.19Å; L256-F260 HydrophobicContact CD2-CE1 4.49Å; L256-F260 HydrophobicContact CD2-CE2 3.6Å; L256-F260 HydrophobicContact CD2-CZ 3.78Å; L256-F260 WeakPolarHBondContact O-CA 3.38Å; L256-F260 WeakPolarHBondContact O-CB 3.18Å; L256-F260 WeakPolarHBondContact O-CG 3.49Å; L256-F260 PolarHBondContact O-N 3.48Å; L256-L263 HydrophobicContact CB-CD2 3.94Å
257	L	89.5	Confident	88.4	Confident	9 Å²	9	38.5 Å²	38.5	5%	0.047	19%	0.191	C	C	.	.	H	α-helix	trans	-71.8	-24.5	176.2	-79.8	176.1	0	0	0	114.2	V253 K254 Y255 L263 I266 I284 T289 M291	V253-L257 HydrophobicContact CG1-CD1 4.01Å; V253-L257 HydrophobicContact CG1-CG 4.43Å; V253-L257 WeakPolarHBondContact O-CB 3.49Å; V253-L257 WeakPolarHBondContact O-CG 3.24Å; V253-L257 PolarHBondContact O-N 3.19Å; K254-L257 PolarHBondContact O-N 3.18Å; Y255-L257 VanDerWaalsContact C-N 3.3Å; Y255-L257 PolarHBondContact O-N 3Å; L257-L263 HydrophobicContact CD2-CB 4.33Å; L257-L263 HydrophobicContact CD2-CD2 4.04Å; L257-L263 HydrophobicContact CD2-CG 4Å; L257-L263 HydrophobicContact CG-CD2 4.33Å; L257-I266 HydrophobicContact CD1-CD1 3.82Å; L257-I266 HydrophobicContact CD2-CD1 3.61Å; L257-I266 HydrophobicContact CG-CD1 3.63Å; L257-I284 HydrophobicContact CD1-CG2 3.48Å; L257-I284 VanDerWaalsContact CD1-CG2 3.48Å; L257-T289 HydrophobicContact CB-CG2 4.24Å; L257-T289 WeakPolarHBondContact O-CB 3.15Å; L257-T289 VanDerWaalsContact O-CG2 3.25Å; L257-T289 WeakPolarHBondContact O-CG2 3.14Å; L257-M291 HydrophobicContact CD1-CE 4.11Å; L257-M291 HydrophobicContact CD1-SD 3.9Å; L257-M291 HydrophobicContact CD2-CB 3.92Å; L257-M291 HydrophobicContact CD2-CG 4.43Å; L257-M291 HydrophobicContact CD2-SD 4.23Å
258	E	88.4	Confident	89.1	Confident	69 Å²	69	38 Å²	38	32%	0.322	19%	0.188	S	C	.	.	H	α-helix	trans	-82.1	-35.9	177.4	-74.5	176.3	146.1	0	0	111.8	K254 Y255 L256 K287	K254-E258 IonicContact NZ-OE1 3.68Å; K254-E258 PolarHBondContact NZ-OE1 2.89Å; K254-E258 IonicContact NZ-OE2 3.72Å; K254-E258 PolarHBondContact NZ-OE2 3.05Å; K254-E258 WeakPolarHBondContact O-CG 3.44Å; K254-E258 PolarHBondContact O-N 2.94Å; Y255-E258 PolarHBondContact O-N 3.48Å; Y255-E258 VanDerWaalsContact O-N 3.1Å; L256-E258 VanDerWaalsContact C-N 3.34Å; E258-K287 HydrophobicContact CG-CG 4.21Å; E258-K287 IonicContact OE1-NZ 3.99Å
259	D	85.9	Confident	89.7	Confident	91 Å²	91	36.3 Å²	36.3	49%	0.487	18%	0.179	S	C	.	.	H	α-helix	trans	-90.4	-34.6	-179.5	-76.6	17.6	0	0	0	113.3	Y255 A261	Y255-D259 WeakPolarHBondContact CE1-OD2 3.28Å; Y255-D259 PolarHBondContact O-N 2.91Å; Y255-D259 PolarHBondContact OH-OD2 2.9Å; D259-A261 PolarHBondContact O-N 3.3Å
260	F	85.4	Confident	90.1	Very high	11 Å²	11	36.5 Å²	36.5	5%	0.048	18%	0.182	C	C	.	.			trans	-95.3	101.2	-170.9	-61.9	-6.1	0	0	0	112.9	L229 C232 L235 L256 F262 L263	L229-F260 WeakPolarHBondContact O-CE2 3.21Å; L229-F260 WeakPolarHBondContact O-CZ 3.43Å; C232-F260 VanDerWaalsContact O-CE2 3.3Å; C232-F260 WeakPolarHBondContact O-CE2 3.39Å; L235-F260 HydrophobicContact CB-CD2 4.23Å; L235-F260 HydrophobicContact CB-CE2 4.34Å; L235-F260 HydrophobicContact CD2-CE2 4.41Å; L256-F260 HydrophobicContact CB-CD2 4.31Å; L256-F260 HydrophobicContact CD2-CD2 4.19Å; L256-F260 HydrophobicContact CD2-CE1 4.49Å; L256-F260 HydrophobicContact CD2-CE2 3.6Å; L256-F260 HydrophobicContact CD2-CZ 3.78Å; L256-F260 WeakPolarHBondContact O-CA 3.38Å; L256-F260 WeakPolarHBondContact O-CB 3.18Å; L256-F260 WeakPolarHBondContact O-CG 3.49Å; L256-F260 PolarHBondContact O-N 3.48Å; F260-F262 PolarHBondContact O-N 3.33Å; F260-L263 HydrophobicContact CB-CB 4.03Å; F260-L263 PolarHBondContact O-N 2.87Å
261	A	83.1	Confident	90	Very high	59 Å²	59	36.5 Å²	36.5	49%	0.488	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-12.3	177.9	0	0	0	0	0	115.4	D259 Q290	D259-A261 PolarHBondContact O-N 3.3Å; A261-Q290 WeakPolarHBondContact O-CG 3.45Å
262	F	89.3	Confident	89.7	Confident	111 Å²	111	35.5 Å²	35.5	49%	0.487	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-10.3	-176.7	-60.1	-70	0	0	0	114.7	L235 E236 F260 K264	L235-F262 CarbonylContact O-C 3.52Å; E236-F262 WeakPolarHBondContact CA-O 3.39Å; E236-F262 HydrophobicContact CG-CB 4.32Å; F260-F262 PolarHBondContact O-N 3.33Å; F262-K264 WeakPolarHBondContact O-CG 3.28Å; F262-K264 PolarHBondContact O-N 2.76Å
263	L	92.9	Very high	89.7	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.173	C	C	.	.			trans	-73.8	101.1	-173.8	-175.5	53.9	0	0	0	111.6	L235 L238 L256 L257 F260 I266	L235-L263 HydrophobicContact CD2-CD1 4.41Å; L235-L263 HydrophobicContact CG-CD1 4.15Å; L235-L263 WeakPolarHBondContact O-CA 3.48Å; L235-L263 PolarHBondContact O-N 3.23Å; L238-L263 HydrophobicContact CB-CD1 3.95Å; L256-L263 HydrophobicContact CB-CD2 3.94Å; L257-L263 HydrophobicContact CD2-CB 4.33Å; L257-L263 HydrophobicContact CD2-CD2 4.04Å; L257-L263 HydrophobicContact CD2-CG 4Å; L257-L263 HydrophobicContact CG-CD2 4.33Å; F260-L263 HydrophobicContact CB-CB 4.03Å; F260-L263 PolarHBondContact O-N 2.87Å; L263-I266 HydrophobicContact CD1-CD1 4.37Å; L263-I266 HydrophobicContact CD1-CG1 4.11Å; L263-I266 HydrophobicContact CD2-CD1 3.69Å; L263-I266 HydrophobicContact CD2-CG1 4.33Å; L263-I266 HydrophobicContact CG-CD1 3.89Å; L263-I266 HydrophobicContact CG-CG1 4.07Å
264	K	95.7	Very high	89.7	Confident	64 Å²	64	38 Å²	38	28%	0.278	19%	0.188	S	C	.	.			trans	-102.5	-35.7	-171.7	-72.4	161.2	-162.8	162.8	0	113.6	E236 F262 M291 D292 T293	E236-K264 PolarHBondContact O-N 2.9Å; E236-K264 IonicContact OE2-NZ 2.85Å; E236-K264 PolarHBondContact OE2-NZ 2.86Å; F262-K264 WeakPolarHBondContact O-CG 3.28Å; F262-K264 PolarHBondContact O-N 2.76Å; K264-M291 CarbonylContact O-C 3.49Å; K264-M291 WeakPolarHBondContact O-CA 3.16Å; K264-D292 HydrophobicContact CB-CB 4.42Å; K264-D292 PolarHBondContact O-N 3.4Å; K264-T293 PolarHBondContact O-N 3.5Å
265	H	97.2	Very high	89.6	Confident	64 Å²	64	41.9 Å²	41.9	30%	0.296	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	117.4	-169.7	-50.5	-72.9	0	0	0	110.8	E236 T237 L238 T293	E236-H265 PolarHBondContact O-N 2.92Å; T237-H265 WeakPolarHBondContact CA-O 3.38Å; T237-H265 HydrophobicContact CG2-CB 4.09Å; T237-H265 PolarHBondContact OG1-CD2 3.18Å; L238-H265 PolarHBondContact N-O 3.48Å; H265-T293 VanDerWaalsContact ND1-CB 3.34Å; H265-T293 WeakPolarHBondContact ND1-CB 3.29Å; H265-T293 PolarHBondContact ND1-OG1 2.99Å
266	I	96.1	Very high	89.8	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	129.2	178.6	-50.9	-167.7	0	0	0	111.1	L238 V253 L257 L263 L268 M291 T293 I295	L238-I266 WeakPolarHBondContact O-CA 3.45Å; V253-I266 HydrophobicContact CG1-CD1 3.73Å; V253-I266 HydrophobicContact CG1-CG2 4.31Å; L257-I266 HydrophobicContact CD1-CD1 3.82Å; L257-I266 HydrophobicContact CD2-CD1 3.61Å; L257-I266 HydrophobicContact CG-CD1 3.63Å; L263-I266 HydrophobicContact CD1-CD1 4.37Å; L263-I266 HydrophobicContact CD1-CG1 4.11Å; L263-I266 HydrophobicContact CD2-CD1 3.69Å; L263-I266 HydrophobicContact CD2-CG1 4.33Å; L263-I266 HydrophobicContact CG-CD1 3.89Å; L263-I266 HydrophobicContact CG-CG1 4.07Å; I266-L268 HydrophobicContact CG2-CD1 4.35Å; I266-L268 HydrophobicContact CG2-CD2 3.59Å; I266-L268 HydrophobicContact CG2-CG 3.74Å; I266-M291 HydrophobicContact CB-SD 4.34Å; I266-M291 HydrophobicContact CD1-SD 4.18Å; I266-M291 HydrophobicContact CG1-SD 4.16Å; I266-T293 PolarHBondContact N-O 3.38Å; I266-I295 PolarHBondContact O-N 3.06Å
267	N	95.8	Very high	89.9	Confident	25 Å²	25	43.6 Å²	43.6	13%	0.134	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	118.4	169.7	-178.6	12.3	0	0	0	111	L238 D239 L240 S241 S269 I295	L238-N267 PolarHBondContact O-N 2.94Å; D239-N267 HydrophobicContact CB-CB 4.29Å; D239-N267 VanDerWaalsContact CG-ND2 3.26Å; D239-N267 PolarHBondContact OD1-ND2 3.21Å; D239-N267 PolarHBondContact OD2-ND2 3.49Å; L240-N267 PolarHBondContact N-O 3.25Å; S241-N267 PolarHBondContact N-O 3.5Å; S241-N267 PolarHBondContact OG-ND2 3.42Å; N267-S269 VanDerWaalsContact OD1-CB 3.27Å; N267-S269 WeakPolarHBondContact OD1-CB 3.32Å; N267-S269 PolarHBondContact OD1-N 3.36Å; N267-S269 PolarHBondContact OD1-OG 2.93Å; N267-I295 HydrophobicContact CB-CB 4.17Å; N267-I295 HydrophobicContact CB-CD1 4.39Å
268	L	94	Very high	90.2	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.016	22%	0.217	C	C	.	.			trans	-117.7	13.4	-179.2	-56.6	179.1	0	0	0	112.6	L240 F245 L250 V253 I266 N271 L294 I295 L296	L240-L268 HydrophobicContact CB-CD2 4.07Å; L240-L268 HydrophobicContact CD1-CD2 4.25Å; F245-L268 HydrophobicContact CZ-CD2 4.46Å; L250-L268 HydrophobicContact CD1-CD1 3.67Å; V253-L268 HydrophobicContact CG1-CD1 4.32Å; V253-L268 HydrophobicContact CG2-CD2 3.78Å; I266-L268 HydrophobicContact CG2-CD1 4.35Å; I266-L268 HydrophobicContact CG2-CD2 3.59Å; I266-L268 HydrophobicContact CG2-CG 3.74Å; L268-N271 PolarHBondContact O-N 2.96Å; L268-N271 PolarHBondContact O-ND2 2.81Å; L268-L294 HydrophobicContact CD1-CD1 4.19Å; L268-I295 PolarHBondContact N-O 2.88Å; L268-L296 HydrophobicContact CB-CD2 4Å; L268-L296 HydrophobicContact CD1-CD2 4.16Å
269	S	93.4	Very high	90.5	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.021	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	144.9	-174.4	-57	0	0	0	0	113.1	S241 Y242 N267 N271 I295 K297	S241-S269 CarbonylContact C-O 3.45Å; S241-S269 WeakPolarHBondContact CA-O 3.48Å; S241-S269 WeakPolarHBondContact CB-O 3.33Å; Y242-S269 PolarHBondContact N-O 3.32Å; N267-S269 VanDerWaalsContact OD1-CB 3.27Å; N267-S269 WeakPolarHBondContact OD1-CB 3.32Å; N267-S269 PolarHBondContact OD1-N 3.36Å; N267-S269 PolarHBondContact OD1-OG 2.93Å; S269-N271 VanDerWaalsContact C-N 3.25Å; S269-N271 PolarHBondContact O-N 3.02Å; S269-N271 VanDerWaalsContact O-N 3.16Å; S269-N271 PolarHBondContact O-ND2 3.01Å; S269-I295 WeakPolarHBondContact OG-CG2 3.31Å; S269-K297 CarbonylContact C-O 3.6Å; S269-K297 WeakPolarHBondContact CA-O 3.02Å; S269-K297 WeakPolarHBondContact CB-O 3.37Å; S269-K297 WeakPolarHBondContact OG-CB 3.44Å; S269-K297 PolarHBondContact OG-N 3.5Å
270	G	88.3	Confident	90.9	Very high	5 Å²	5	40.2 Å²	40.2	5%	0.052	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	-0.8	173.9	0	0	0	0	0	117.1	H272 K297 D298	G270-H272 PolarHBondContact O-N 3.37Å; G270-H272 VanDerWaalsContact O-N 3.12Å; G270-H272 PolarHBondContact O-ND1 3.13Å; G270-K297 PolarHBondContact N-O 2.85Å; G270-D298 WeakPolarHBondContact CA-O 3.42Å; G270-D298 PolarHBondContact N-O 3.35Å
271	N	85.3	Confident	91.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.202	C	C	.	.	S	Bend	trans	-82.5	23.4	-176.3	-71.6	-58.8	0	0	0	115.8	L240 N243 N244 F245 L268 S269 L273	L240-N271 PolarHBondContact O-ND2 3.44Å; N243-N271 WeakPolarHBondContact CA-OD1 3.48Å; N243-N271 PolarHBondContact N-OD1 3.39Å; N244-N271 PolarHBondContact N-OD1 3.11Å; F245-N271 HydrophobicContact CD2-CB 4.39Å; F245-N271 HydrophobicContact CE2-CB 3.85Å; F245-N271 HydrophobicContact CZ-CB 4.08Å; F245-N271 VanDerWaalsContact CZ-CG 3.41Å; F245-N271 VanDerWaalsContact CZ-ND2 3.29Å; F245-N271 WeakPolarHBondContact CZ-ND2 3.47Å; L268-N271 PolarHBondContact O-N 2.96Å; L268-N271 PolarHBondContact O-ND2 2.81Å; S269-N271 VanDerWaalsContact C-N 3.25Å; S269-N271 PolarHBondContact O-N 3.02Å; S269-N271 VanDerWaalsContact O-N 3.16Å; S269-N271 PolarHBondContact O-ND2 3.01Å; N271-L273 HydrophobicContact CB-CD2 4.45Å; N271-L273 PolarHBondContact O-N 3.48Å
272	H	81.2	Confident	92	Very high	65 Å²	65	39.1 Å²	39.1	30%	0.301	19%	0.189	S	C	.	.			trans	46.8	51	166.7	-65.9	-7.5	0	0	0	115.7	N244 G270 R300	N244-H272 PolarHBondContact OD1-CD2 2.92Å; N244-H272 VanDerWaalsContact OD1-CD2 3.3Å; G270-H272 PolarHBondContact O-N 3.37Å; G270-H272 VanDerWaalsContact O-N 3.12Å; G270-H272 PolarHBondContact O-ND1 3.13Å; H272-R300 PolarHBondContact CD2-NH2 3.35Å; H272-R300 PolarHBondContact CE1-NH2 2.83Å; H272-R300 PolarHBondContact ND1-NE 2.92Å; H272-R300 PolarHBondContact NE2-NH2 3.41Å
273	L	85.8	Confident	92.3	Very high	7 Å²	7	35.4 Å²	35.4	4%	0.037	18%	0.176	C	C	.	.			trans	-65.2	143.7	-174.7	-55	-177.5	0	0	0	112.6	N271 A277 F278 L281 L296 A299	N271-L273 HydrophobicContact CB-CD2 4.45Å; N271-L273 PolarHBondContact O-N 3.48Å; L273-A277 HydrophobicContact CB-CB 3.76Å; L273-A277 HydrophobicContact CD1-CB 4.5Å; L273-A277 HydrophobicContact CD2-CB 3.95Å; L273-A277 HydrophobicContact CG-CB 4.27Å; L273-F278 HydrophobicContact CB-CE1 4.01Å; L273-L281 HydrophobicContact CD1-CD1 3.85Å; L273-L281 HydrophobicContact CD1-CG 4.47Å; L273-L296 HydrophobicContact CD1-CD2 3.88Å; L273-A299 WeakPolarHBondContact CB-O 3.22Å; L273-A299 HydrophobicContact CD1-CB 4.06Å; L273-A299 HydrophobicContact CG-CB 4.25Å; L273-A299 PolarHBondContact N-O 3.24Å; L273-A299 VanDerWaalsContact N-O 3.16Å
274	N	88.3	Confident	92.4	Very high	62 Å²	62	35.7 Å²	35.7	33%	0.332	18%	0.178	S	C	.	.			trans	-110.4	-170.1	176.1	75.8	35.7	0	0	0	112.2	N247 E276 A277 F278	N247-N274 VanDerWaalsContact ND2-CG 3.26Å; N247-N274 PolarHBondContact ND2-ND2 3.41Å; N247-N274 PolarHBondContact ND2-OD1 3.22Å; N247-N274 VanDerWaalsContact OD1-CG 3.3Å; N247-N274 PolarHBondContact OD1-ND2 3.17Å; N247-N274 PolarHBondContact OD1-OD1 3.16Å; N274-E276 PolarHBondContact O-N 2.82Å; N274-E276 PolarHBondContact OD1-N 3.32Å; N274-A277 PolarHBondContact O-N 3.4Å; N274-F278 WeakPolarHBondContact O-CD1 3.32Å; N274-F278 WeakPolarHBondContact O-CG 3.5Å; N274-F278 PolarHBondContact O-N 2.96Å
275	Q	89.7	Confident	92.5	Very high	134 Å²	134	32.7 Å²	32.7	63%	0.626	16%	0.164	S	C	*	.	H	α-helix	trans	-61.6	-36.7	-175.5	-69.4	-171	-4.2	0	0	114.2	F278 V279	Q275-F278 WeakPolarHBondContact O-CB 3.27Å; Q275-F278 PolarHBondContact O-N 3.45Å; Q275-V279 PolarHBondContact O-N 3.05Å
276	E	91.3	Very high	92.4	Very high	131 Å²	131	32.7 Å²	32.7	61%	0.612	17%	0.169	S	C	*	.	H	α-helix	trans	-68.5	-40.1	178.1	-57.1	169.2	175.9	0	0	110.5	N247 N274 F278 V279 L280	N247-E276 WeakPolarHBondContact ND2-CB 3.42Å; N247-E276 PolarHBondContact ND2-OE2 3.36Å; N274-E276 PolarHBondContact O-N 2.82Å; N274-E276 PolarHBondContact OD1-N 3.32Å; E276-F278 PolarHBondContact O-N 3.46Å; E276-V279 WeakPolarHBondContact O-CB 3.5Å; E276-V279 PolarHBondContact O-N 3.47Å; E276-L280 PolarHBondContact O-N 3.07Å
277	A	91.9	Very high	92.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.3	-29.8	172.6	0	0	0	0	0	112.7	N247 L250 L273 N274 L280 L281	N247-A277 VanDerWaalsContact OD1-CB 3.24Å; N247-A277 WeakPolarHBondContact OD1-CB 3.48Å; L250-A277 HydrophobicContact CD2-CB 3.64Å; L250-A277 WeakPolarHBondContact CD2-O 3.24Å; L273-A277 HydrophobicContact CB-CB 3.76Å; L273-A277 HydrophobicContact CD1-CB 4.5Å; L273-A277 HydrophobicContact CD2-CB 3.95Å; L273-A277 HydrophobicContact CG-CB 4.27Å; N274-A277 PolarHBondContact O-N 3.4Å; A277-L280 PolarHBondContact O-N 3.44Å; A277-L281 WeakPolarHBondContact O-CG 3.49Å; A277-L281 PolarHBondContact O-N 2.88Å
278	F	95	Very high	91.8	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.018	20%	0.196	C	C	.	.	H	α-helix	trans	-67.9	-34.6	174.3	-55.1	-25.7	0	0	0	112.6	L273 N274 Q275 E276 L281 Q282 I301 N302 M308	L273-F278 HydrophobicContact CB-CE1 4.01Å; N274-F278 WeakPolarHBondContact O-CD1 3.32Å; N274-F278 WeakPolarHBondContact O-CG 3.5Å; N274-F278 PolarHBondContact O-N 2.96Å; Q275-F278 WeakPolarHBondContact O-CB 3.27Å; Q275-F278 PolarHBondContact O-N 3.45Å; E276-F278 PolarHBondContact O-N 3.46Å; F278-L281 PolarHBondContact O-N 3.1Å; F278-Q282 PolarHBondContact O-N 3.22Å; F278-I301 HydrophobicContact CE1-CB 4.5Å; F278-I301 HydrophobicContact CE1-CG1 4Å; F278-N302 WeakPolarHBondContact CE2-OD1 3.16Å; F278-M308 HydrophobicContact CB-CB 4.13Å; F278-M308 HydrophobicContact CB-CG 4.14Å; F278-M308 WeakPolarHBondContact O-CB 3.48Å
279	V	95.1	Very high	91.6	Very high	58 Å²	58	39.6 Å²	39.6	35%	0.352	20%	0.201	S	C	.	.	H	α-helix	trans	-69.1	-38.9	172.8	-177.1	0	0	0	0	110.8	Q275 E276 Q282 T283	Q275-V279 PolarHBondContact O-N 3.05Å; E276-V279 WeakPolarHBondContact O-CB 3.5Å; E276-V279 PolarHBondContact O-N 3.47Å; V279-Q282 WeakPolarHBondContact O-CB 3.42Å; V279-Q282 PolarHBondContact O-N 3.44Å; V279-T283 PolarHBondContact O-N 3.35Å; V279-T283 PolarHBondContact O-OG1 3.43Å
280	L	94.1	Very high	91.5	Very high	36 Å²	36	43.3 Å²	43.3	19%	0.188	22%	0.218	C	C	.	.	H	α-helix	trans	-63.2	-42.3	172.4	-68.4	172.7	0	0	0	111.8	L250 I251 K254 E276 A277 T283 I284	L250-L280 HydrophobicContact CB-CD1 4.33Å; L250-L280 HydrophobicContact CD2-CB 3.61Å; L250-L280 HydrophobicContact CD2-CD1 4.25Å; L250-L280 HydrophobicContact CG-CB 3.97Å; L250-L280 HydrophobicContact CG-CD1 4.3Å; I251-L280 HydrophobicContact CD1-CD1 4.46Å; I251-L280 HydrophobicContact CG1-CD1 3.59Å; I251-L280 HydrophobicContact CG1-CD2 4.38Å; K254-L280 HydrophobicContact CD-CD2 4.31Å; E276-L280 PolarHBondContact O-N 3.07Å; A277-L280 PolarHBondContact O-N 3.44Å; L280-T283 WeakPolarHBondContact O-CB 3.39Å; L280-T283 PolarHBondContact O-N 2.9Å; L280-I284 WeakPolarHBondContact O-CB 3.46Å; L280-I284 VanDerWaalsContact O-CG1 3.29Å; L280-I284 WeakPolarHBondContact O-CG1 3.4Å; L280-I284 PolarHBondContact O-N 3.07Å
281	L	95.5	Very high	91.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61.6	-44	174.4	-74.7	179.9	0	0	0	112.3	L250 L273 A277 F278 T283 I284 L285 L296 I309	L250-L281 HydrophobicContact CD1-CD2 3.91Å; L250-L281 HydrophobicContact CD2-CD2 4.07Å; L250-L281 HydrophobicContact CD2-CG 3.91Å; L273-L281 HydrophobicContact CD1-CD1 3.85Å; L273-L281 HydrophobicContact CD1-CG 4.47Å; A277-L281 WeakPolarHBondContact O-CG 3.49Å; A277-L281 PolarHBondContact O-N 2.88Å; F278-L281 PolarHBondContact O-N 3.1Å; L281-T283 VanDerWaalsContact C-N 3.29Å; L281-T283 PolarHBondContact O-N 3.46Å; L281-I284 PolarHBondContact O-N 3.33Å; L281-L285 WeakPolarHBondContact O-CB 3.45Å; L281-L285 VanDerWaalsContact O-CG 3.29Å; L281-L285 WeakPolarHBondContact O-CG 3.33Å; L281-L285 PolarHBondContact O-N 3.21Å; L281-L296 HydrophobicContact CD1-CD1 3.87Å; L281-L296 HydrophobicContact CD1-CD2 4.08Å; L281-L296 HydrophobicContact CD2-CD1 4.02Å; L281-L296 HydrophobicContact CD2-CD2 4.02Å; L281-I309 HydrophobicContact CB-CG1 4.26Å; L281-I309 HydrophobicContact CD1-CD1 3.94Å; L281-I309 HydrophobicContact CD1-CG1 4.14Å
282	Q	96.8	Very high	92.4	Very high	47 Å²	47	45.1 Å²	45.1	22%	0.22	23%	0.226	C	C	.	.	H	α-helix	trans	-56.6	-46.3	172.9	-178.2	-174.6	14.4	0	0	110.8	F278 V279 L285 T286 M308 S311	F278-Q282 PolarHBondContact O-N 3.22Å; V279-Q282 WeakPolarHBondContact O-CB 3.42Å; V279-Q282 PolarHBondContact O-N 3.44Å; Q282-L285 PolarHBondContact O-N 3.31Å; Q282-T286 VanDerWaalsContact O-CB 3.29Å; Q282-T286 WeakPolarHBondContact O-CB 3.21Å; Q282-T286 PolarHBondContact O-N 3.48Å; Q282-T286 PolarHBondContact O-OG1 2.92Å; Q282-M308 HydrophobicContact CB-CB 4.19Å; Q282-M308 WeakPolarHBondContact CB-O 3.22Å; Q282-M308 WeakPolarHBondContact CG-O 3.44Å; Q282-M308 PolarHBondContact OE1-SD 3.32Å; Q282-S311 PolarHBondContact NE2-OG 3.44Å
283	T	95.5	Very high	93.2	Very high	33 Å²	33	42.8 Å²	42.8	20%	0.202	22%	0.217	C	C	.	.	H	α-helix	trans	-63.2	-47.8	-179.6	-55.1	0	0	0	0	111.6	K254 V279 L280 L281 L285 T286 K287	K254-T283 HydrophobicContact CD-CG2 4.4Å; V279-T283 PolarHBondContact O-N 3.35Å; V279-T283 PolarHBondContact O-OG1 3.43Å; L280-T283 WeakPolarHBondContact O-CB 3.39Å; L280-T283 PolarHBondContact O-N 2.9Å; L281-T283 VanDerWaalsContact C-N 3.29Å; L281-T283 PolarHBondContact O-N 3.46Å; T283-L285 VanDerWaalsContact C-N 3.34Å; T283-L285 PolarHBondContact O-N 3.14Å; T283-T286 PolarHBondContact O-N 2.97Å; T283-K287 WeakPolarHBondContact O-CB 3.34Å; T283-K287 PolarHBondContact O-N 2.74Å
284	I	95.1	Very high	93.8	Very high	7 Å²	7	42.6 Å²	42.6	4%	0.036	22%	0.216	C	C	.	.	H	α-helix	trans	-55.7	-47.7	176.1	-74.7	163.4	0	0	0	111.2	L250 V253 K254 L257 L280 L281 K287 M291	L250-I284 HydrophobicContact CD1-CD1 3.53Å; L250-I284 HydrophobicContact CG-CD1 3.99Å; V253-I284 HydrophobicContact CG1-CD1 4.46Å; K254-I284 HydrophobicContact CB-CD1 4.05Å; K254-I284 HydrophobicContact CB-CG1 3.87Å; K254-I284 HydrophobicContact CG-CG1 4.11Å; L257-I284 HydrophobicContact CD1-CG2 3.48Å; L257-I284 VanDerWaalsContact CD1-CG2 3.48Å; L280-I284 WeakPolarHBondContact O-CB 3.46Å; L280-I284 VanDerWaalsContact O-CG1 3.29Å; L280-I284 WeakPolarHBondContact O-CG1 3.4Å; L280-I284 PolarHBondContact O-N 3.07Å; L281-I284 PolarHBondContact O-N 3.33Å; I284-K287 PolarHBondContact O-N 3.07Å; I284-M291 HydrophobicContact CG2-CE 3.87Å
285	L	96.4	Very high	94.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-68.8	-41.5	-180	-69.9	166.8	0	0	0	111.9	L281 Q282 T283 K287 N288 M291 L294 I309 L313 N316 L319	L281-L285 WeakPolarHBondContact O-CB 3.45Å; L281-L285 VanDerWaalsContact O-CG 3.29Å; L281-L285 WeakPolarHBondContact O-CG 3.33Å; L281-L285 PolarHBondContact O-N 3.21Å; Q282-L285 PolarHBondContact O-N 3.31Å; T283-L285 VanDerWaalsContact C-N 3.34Å; T283-L285 PolarHBondContact O-N 3.14Å; L285-K287 VanDerWaalsContact C-N 3.29Å; L285-K287 PolarHBondContact O-N 3.1Å; L285-N288 PolarHBondContact O-N 3.49Å; L285-M291 HydrophobicContact CD2-CE 4.39Å; L285-L294 HydrophobicContact CD2-CD2 3.94Å; L285-L294 HydrophobicContact CG-CD2 4.48Å; L285-I309 HydrophobicContact CD1-CB 4.25Å; L285-I309 HydrophobicContact CD1-CG1 4.33Å; L285-I309 HydrophobicContact CD1-CG2 3.87Å; L285-L313 HydrophobicContact CD1-CG 4.32Å; L285-L313 HydrophobicContact CD2-CD2 4.1Å; L285-N316 PolarHBondContact O-ND2 3.46Å; L285-L319 HydrophobicContact CD2-CD2 3.92Å
286	T	95.6	Very high	94.6	Very high	65 Å²	65	35.1 Å²	35.1	40%	0.399	18%	0.18	S	C	.	.	H	α-helix	trans	-62.8	-35.8	178.1	-56.3	0	0	0	0	111.9	Q282 T283 N288 G312	Q282-T286 VanDerWaalsContact O-CB 3.29Å; Q282-T286 WeakPolarHBondContact O-CB 3.21Å; Q282-T286 PolarHBondContact O-N 3.48Å; Q282-T286 PolarHBondContact O-OG1 2.92Å; T283-T286 PolarHBondContact O-N 2.97Å; T286-N288 PolarHBondContact O-N 3.39Å; T286-G312 WeakPolarHBondContact OG1-CA 3.37Å
287	K	93	Very high	94.7	Very high	121 Å²	121	31.6 Å²	31.6	53%	0.526	16%	0.162	S	C	.	.	H	α-helix	trans	-62.9	-21	179.4	-170.8	67.5	176.9	-163	0	113.1	E258 T283 I284 L285 T289	E258-K287 HydrophobicContact CG-CG 4.21Å; E258-K287 IonicContact OE1-NZ 3.99Å; T283-K287 WeakPolarHBondContact O-CB 3.34Å; T283-K287 PolarHBondContact O-N 2.74Å; I284-K287 PolarHBondContact O-N 3.07Å; L285-K287 VanDerWaalsContact C-N 3.29Å; L285-K287 PolarHBondContact O-N 3.1Å; K287-T289 HydrophobicContact CB-CG2 4.01Å; K287-T289 HydrophobicContact CG-CG2 3.58Å; K287-T289 PolarHBondContact O-N 3.26Å
288	N	87.2	Confident	94.7	Very high	35 Å²	35	34.5 Å²	34.5	19%	0.187	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	49.7	171.3	-157.4	9	0	0	0	112.2	L285 T286 T315 T317 R318	L285-N288 PolarHBondContact O-N 3.49Å; T286-N288 PolarHBondContact O-N 3.39Å; N288-T315 PolarHBondContact ND2-O 3.12Å; N288-T317 PolarHBondContact ND2-N 2.82Å; N288-T317 PolarHBondContact ND2-OG1 3.38Å; N288-T317 PolarHBondContact OD1-N 3.49Å; N288-R318 WeakPolarHBondContact O-CD 3.34Å; N288-R318 PolarHBondContact O-NE 3.19Å; N288-R318 WeakPolarHBondContact OD1-CB 3.48Å; N288-R318 VanDerWaalsContact OD1-CG 3.31Å; N288-R318 WeakPolarHBondContact OD1-CG 3.29Å; N288-R318 PolarHBondContact OD1-N 3.32Å
289	T	90	Very high	94.6	Very high	18 Å²	18	34.3 Å²	34.3	11%	0.11	18%	0.177	C	C	.	.			trans	-75.8	176	179.5	63.4	0	0	0	0	111.7	L257 K287 M291 R318	L257-T289 HydrophobicContact CB-CG2 4.24Å; L257-T289 WeakPolarHBondContact O-CB 3.15Å; L257-T289 VanDerWaalsContact O-CG2 3.25Å; L257-T289 WeakPolarHBondContact O-CG2 3.14Å; K287-T289 HydrophobicContact CB-CG2 4.01Å; K287-T289 HydrophobicContact CG-CG2 3.58Å; K287-T289 PolarHBondContact O-N 3.26Å; T289-M291 PolarHBondContact O-N 3.22Å; T289-R318 WeakPolarHBondContact O-CD 3.47Å
290	Q	90.5	Very high	94.4	Very high	82 Å²	82	37.8 Å²	37.8	38%	0.383	18%	0.184	S	C	.	.	S	Bend	trans	-67.7	9.8	-174.4	-60.1	-77.3	93.8	0	0	114.9	A261 D292	A261-Q290 WeakPolarHBondContact O-CG 3.45Å; Q290-D292 PolarHBondContact O-N 3.25Å
291	M	95.2	Very high	94.4	Very high	4 Å²	4	36 Å²	36	2%	0.02	18%	0.175	C	C	.	.			trans	-71.8	112.3	-179.9	-173.7	171.7	59	0	0	112.4	L257 K264 I266 I284 L285 T289 T293 L294 L319	L257-M291 HydrophobicContact CD1-CE 4.11Å; L257-M291 HydrophobicContact CD1-SD 3.9Å; L257-M291 HydrophobicContact CD2-CB 3.92Å; L257-M291 HydrophobicContact CD2-CG 4.43Å; L257-M291 HydrophobicContact CD2-SD 4.23Å; K264-M291 CarbonylContact O-C 3.49Å; K264-M291 WeakPolarHBondContact O-CA 3.16Å; I266-M291 HydrophobicContact CB-SD 4.34Å; I266-M291 HydrophobicContact CD1-SD 4.18Å; I266-M291 HydrophobicContact CG1-SD 4.16Å; I284-M291 HydrophobicContact CG2-CE 3.87Å; L285-M291 HydrophobicContact CD2-CE 4.39Å; T289-M291 PolarHBondContact O-N 3.22Å; M291-T293 WeakPolarHBondContact CG-O 3.31Å; M291-L294 HydrophobicContact CE-CB 4.13Å; M291-L294 HydrophobicContact CE-CD1 4.42Å; M291-L294 HydrophobicContact CE-CD2 4.01Å; M291-L294 HydrophobicContact CE-CG 4.42Å; M291-L294 HydrophobicContact SD-CB 4.02Å; M291-L294 HydrophobicContact SD-CD1 4.07Å; M291-L294 HydrophobicContact SD-CG 4.46Å; M291-L319 HydrophobicContact CE-CD1 4.33Å; M291-L319 HydrophobicContact CG-CD1 4.26Å
292	D	97.5	Very high	94.5	Very high	38 Å²	38	38.5 Å²	38.5	20%	0.203	19%	0.188	C	C	.	.			trans	-85.5	-28.5	173.3	-86.2	-7.8	0	0	0	112.9	K264 Q290 K320 M321	K264-D292 HydrophobicContact CB-CB 4.42Å; K264-D292 PolarHBondContact O-N 3.4Å; Q290-D292 PolarHBondContact O-N 3.25Å; D292-K320 WeakPolarHBondContact O-CA 3.02Å; D292-K320 PolarHBondContact O-N 3.4Å; D292-K320 IonicContact OD1-NZ 2.66Å; D292-K320 PolarHBondContact OD1-NZ 3.15Å; D292-K320 IonicContact OD2-NZ 3.88Å; D292-K320 PolarHBondContact OD2-NZ 2.66Å; D292-M321 PolarHBondContact O-N 3.27Å
293	T	98.4	Very high	94.5	Very high	17 Å²	17	38 Å²	38	10%	0.104	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	128.3	-173.4	-55.1	0	0	0	0	112.6	K264 H265 I266 M291 I295 M321	K264-T293 PolarHBondContact O-N 3.5Å; H265-T293 VanDerWaalsContact ND1-CB 3.34Å; H265-T293 WeakPolarHBondContact ND1-CB 3.29Å; H265-T293 PolarHBondContact ND1-OG1 2.99Å; I266-T293 PolarHBondContact N-O 3.38Å; M291-T293 WeakPolarHBondContact CG-O 3.31Å; T293-I295 HydrophobicContact CG2-CD1 4.34Å; T293-I295 HydrophobicContact CG2-CG1 3.98Å; T293-M321 WeakPolarHBondContact CA-O 3.39Å; T293-M321 HydrophobicContact CG2-CB 3.98Å; T293-M321 HydrophobicContact CG2-CG 3.93Å; T293-M321 HydrophobicContact CG2-SD 3.68Å
294	L	97.9	Very high	94.6	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.016	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	118.1	174.2	179.9	59.1	0	0	0	110.2	L268 L285 M291 L296 L319 M321 L322 D323	L268-L294 HydrophobicContact CD1-CD1 4.19Å; L285-L294 HydrophobicContact CD2-CD2 3.94Å; L285-L294 HydrophobicContact CG-CD2 4.48Å; M291-L294 HydrophobicContact CE-CB 4.13Å; M291-L294 HydrophobicContact CE-CD1 4.42Å; M291-L294 HydrophobicContact CE-CD2 4.01Å; M291-L294 HydrophobicContact CE-CG 4.42Å; M291-L294 HydrophobicContact SD-CB 4.02Å; M291-L294 HydrophobicContact SD-CD1 4.07Å; M291-L294 HydrophobicContact SD-CG 4.46Å; L294-L296 HydrophobicContact CD1-CD1 4.31Å; L294-L296 HydrophobicContact CD1-CG 4.11Å; L294-L296 HydrophobicContact CD2-CD1 3.71Å; L294-L296 HydrophobicContact CD2-CG 4.39Å; L294-L296 HydrophobicContact CG-CD1 3.83Å; L294-L296 HydrophobicContact CG-CG 3.98Å; L294-L319 HydrophobicContact CB-CD1 3.82Å; L294-L319 HydrophobicContact CB-CD2 4.48Å; L294-M321 PolarHBondContact N-O 3.28Å; L294-L322 HydrophobicContact CB-CD1 4.23Å; L294-L322 HydrophobicContact CD2-CD1 4.24Å; L294-L322 HydrophobicContact CG-CD1 4.24Å; L294-L322 WeakPolarHBondContact O-CA 3.42Å; L294-D323 PolarHBondContact O-N 3.2Å
295	I	97.9	Very high	94.7	Very high	39 Å²	39	39.2 Å²	39.2	20%	0.2	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	116.7	178.3	-52	178.5	0	0	0	108.8	I266 N267 L268 S269 T293 K297 D323	I266-I295 PolarHBondContact O-N 3.06Å; N267-I295 HydrophobicContact CB-CB 4.17Å; N267-I295 HydrophobicContact CB-CD1 4.39Å; L268-I295 PolarHBondContact N-O 2.88Å; S269-I295 WeakPolarHBondContact OG-CG2 3.31Å; T293-I295 HydrophobicContact CG2-CD1 4.34Å; T293-I295 HydrophobicContact CG2-CG1 3.98Å; I295-K297 HydrophobicContact CG2-CB 4.34Å; I295-D323 HydrophobicContact CB-CB 4.38Å; I295-D323 HydrophobicContact CG1-CB 4.46Å; I295-D323 HydrophobicContact CG2-CB 3.89Å
296	L	96.5	Very high	94.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.195	C	C	.	.			trans	-126.4	38.2	-175.3	-75.7	166.6	0	0	0	111	L268 L273 L281 L294 A299 I301 I309 L322 D323 L324 N327	L268-L296 HydrophobicContact CB-CD2 4Å; L268-L296 HydrophobicContact CD1-CD2 4.16Å; L273-L296 HydrophobicContact CD1-CD2 3.88Å; L281-L296 HydrophobicContact CD1-CD1 3.87Å; L281-L296 HydrophobicContact CD1-CD2 4.08Å; L281-L296 HydrophobicContact CD2-CD1 4.02Å; L281-L296 HydrophobicContact CD2-CD2 4.02Å; L294-L296 HydrophobicContact CD1-CD1 4.31Å; L294-L296 HydrophobicContact CD1-CG 4.11Å; L294-L296 HydrophobicContact CD2-CD1 3.71Å; L294-L296 HydrophobicContact CD2-CG 4.39Å; L294-L296 HydrophobicContact CG-CD1 3.83Å; L294-L296 HydrophobicContact CG-CG 3.98Å; L296-A299 HydrophobicContact CB-CB 4.34Å; L296-A299 HydrophobicContact CD2-CB 4.35Å; L296-A299 VanDerWaalsContact O-CB 3.28Å; L296-A299 WeakPolarHBondContact O-CB 3.2Å; L296-I301 HydrophobicContact CB-CD1 3.75Å; L296-I301 HydrophobicContact CD1-CD1 4.09Å; L296-I301 HydrophobicContact CD2-CD1 4.48Å; L296-I301 HydrophobicContact CG-CD1 4.35Å; L296-I309 HydrophobicContact CD1-CD1 4.25Å; L296-L322 HydrophobicContact CD1-CD1 4.49Å; L296-D323 CarbonylContact C-O 3.52Å; L296-D323 WeakPolarHBondContact CA-O 3.34Å; L296-D323 PolarHBondContact N-O 3.43Å; L296-L324 HydrophobicContact CB-CD2 4.02Å; L296-L324 HydrophobicContact CD1-CD2 4.11Å; L296-N327 PolarHBondContact O-ND2 3.41Å
297	K	93.8	Very high	94.9	Very high	57 Å²	57	38.8 Å²	38.8	25%	0.248	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	136.5	-177.9	169.9	178.4	-173.5	170	0	111.1	S269 G270 I295 A299 S325 K326	S269-K297 CarbonylContact C-O 3.6Å; S269-K297 WeakPolarHBondContact CA-O 3.02Å; S269-K297 WeakPolarHBondContact CB-O 3.37Å; S269-K297 WeakPolarHBondContact OG-CB 3.44Å; S269-K297 PolarHBondContact OG-N 3.5Å; G270-K297 PolarHBondContact N-O 2.85Å; I295-K297 HydrophobicContact CG2-CB 4.34Å; K297-A299 PolarHBondContact O-N 3.35Å; K297-A299 VanDerWaalsContact O-N 3.15Å; K297-S325 CarbonylContact C-O 3.32Å; K297-S325 VanDerWaalsContact CA-O 3.24Å; K297-S325 WeakPolarHBondContact CA-O 3.27Å; K297-S325 WeakPolarHBondContact CD-OG 3.5Å; K297-S325 VanDerWaalsContact CG-OG 3.27Å; K297-S325 WeakPolarHBondContact CG-OG 3.39Å; K297-K326 HydrophobicContact CG-CB 4.33Å; K297-K326 HydrophobicContact CG-CD 4.38Å; K297-K326 HydrophobicContact CG-CG 4.43Å
298	D	92.1	Very high	95.1	Very high	60 Å²	60	35.7 Å²	35.7	32%	0.321	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	33.7	-179.4	-156.6	3.6	0	0	0	113.4	G270 R300 S325 K326	G270-D298 WeakPolarHBondContact CA-O 3.42Å; G270-D298 PolarHBondContact N-O 3.35Å; D298-R300 VanDerWaalsContact C-N 3.27Å; D298-R300 PolarHBondContact O-N 3.17Å; D298-S325 PolarHBondContact N-O 3.26Å; D298-K326 HydrophobicContact CB-CB 4.1Å
299	A	91.7	Very high	95.7	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-88.7	11.7	-178.2	0	0	0	0	0	112.9	L273 L296 K297 I301 N327	L273-A299 WeakPolarHBondContact CB-O 3.22Å; L273-A299 HydrophobicContact CD1-CB 4.06Å; L273-A299 HydrophobicContact CG-CB 4.25Å; L273-A299 PolarHBondContact N-O 3.24Å; L273-A299 VanDerWaalsContact N-O 3.16Å; L296-A299 HydrophobicContact CB-CB 4.34Å; L296-A299 HydrophobicContact CD2-CB 4.35Å; L296-A299 VanDerWaalsContact O-CB 3.28Å; L296-A299 WeakPolarHBondContact O-CB 3.2Å; K297-A299 PolarHBondContact O-N 3.35Å; K297-A299 VanDerWaalsContact O-N 3.15Å; A299-I301 HydrophobicContact CB-CD1 3.97Å; A299-I301 HydrophobicContact CB-CG1 4.06Å; A299-I301 PolarHBondContact O-N 3.38Å; A299-N327 PolarHBondContact N-OD1 3.2Å
300	R	91.3	Very high	96.1	Very high	131 Å²	131	33.2 Å²	33.2	49%	0.494	17%	0.166	S	C	.	.			trans	58.8	22.7	-173.7	-58.6	-175.4	179.8	-179.4	2.5	115.1	H272 D298 N302 N327	H272-R300 PolarHBondContact CD2-NH2 3.35Å; H272-R300 PolarHBondContact CE1-NH2 2.83Å; H272-R300 PolarHBondContact ND1-NE 2.92Å; H272-R300 PolarHBondContact NE2-NH2 3.41Å; D298-R300 VanDerWaalsContact C-N 3.27Å; D298-R300 PolarHBondContact O-N 3.17Å; R300-N302 PolarHBondContact O-N 3.07Å; R300-N302 VanDerWaalsContact O-N 3.17Å; R300-N327 PolarHBondContact N-OD1 3.03Å
301	I	95.2	Very high	96.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.164	C	C	.	.			trans	-63.8	118.1	178.9	-63.9	164.4	0	0	0	109.3	F278 L296 A299 A306 I309 L324 N327 L328 I329	F278-I301 HydrophobicContact CE1-CB 4.5Å; F278-I301 HydrophobicContact CE1-CG1 4Å; L296-I301 HydrophobicContact CB-CD1 3.75Å; L296-I301 HydrophobicContact CD1-CD1 4.09Å; L296-I301 HydrophobicContact CD2-CD1 4.48Å; L296-I301 HydrophobicContact CG-CD1 4.35Å; A299-I301 HydrophobicContact CB-CD1 3.97Å; A299-I301 HydrophobicContact CB-CG1 4.06Å; A299-I301 PolarHBondContact O-N 3.38Å; I301-A306 HydrophobicContact CG2-CB 4.4Å; I301-I309 HydrophobicContact CD1-CD1 3.7Å; I301-I309 HydrophobicContact CG1-CD1 4.33Å; I301-I309 HydrophobicContact CG2-CD1 4Å; I301-L324 HydrophobicContact CD1-CD2 3.65Å; I301-N327 HydrophobicContact CB-CB 4.11Å; I301-N327 PolarHBondContact N-OD1 2.98Å; I301-N327 WeakPolarHBondContact O-CB 3.42Å; I301-L328 CarbonylContact O-C 3.45Å; I301-L328 WeakPolarHBondContact O-CA 3.48Å; I301-L328 PolarHBondContact O-N 3.45Å; I301-I329 HydrophobicContact CG2-CD1 4.13Å; I301-I329 HydrophobicContact CG2-CG1 4.1Å; I301-I329 PolarHBondContact O-N 3.27Å
302	N	96.3	Very high	96.4	Very high	51 Å²	51	31.4 Å²	31.4	27%	0.273	16%	0.163	S	C	.	.	B	Isolated β-bridge	trans	-99.5	-172.5	174.8	63.5	18.2	0	0	0	110.5	F278 R300 T304 G305 A306 L328	F278-N302 WeakPolarHBondContact CE2-OD1 3.16Å; R300-N302 PolarHBondContact O-N 3.07Å; R300-N302 VanDerWaalsContact O-N 3.17Å; N302-T304 VanDerWaalsContact C-N 3.29Å; N302-T304 PolarHBondContact O-N 3.41Å; N302-T304 WeakPolarHBondContact OD1-CB 3.37Å; N302-T304 PolarHBondContact OD1-N 3.13Å; N302-T304 VanDerWaalsContact OD1-N 3.08Å; N302-G305 PolarHBondContact O-N 3.29Å; N302-G305 VanDerWaalsContact O-N 3.15Å; N302-G305 PolarHBondContact OD1-N 3.43Å; N302-A306 WeakPolarHBondContact O-CB 3.43Å; N302-A306 PolarHBondContact O-N 3.24Å; N302-L328 HydrophobicContact CB-CB 4.26Å
303	D	97.7	Very high	96.4	Very high	37 Å²	37	30.4 Å²	30.4	20%	0.198	16%	0.158	C	C	.	.	H	α-helix	trans	-55.1	-41.8	177.2	-67.1	-52.3	0	0	0	112.7	G305 A306 V307 R330 E332 G333	D303-G305 PolarHBondContact O-N 3.02Å; D303-A306 PolarHBondContact O-N 3.45Å; D303-V307 WeakPolarHBondContact O-CG2 3.42Å; D303-V307 PolarHBondContact O-N 3.45Å; D303-R330 WeakPolarHBondContact OD1-CA 3.26Å; D303-R330 PolarHBondContact OD1-N 3.49Å; D303-R330 WeakPolarHBondContact OD2-CB 3.25Å; D303-E332 HydrophobicContact CB-CB 4.42Å; D303-G333 WeakPolarHBondContact OD1-CA 3.4Å; D303-G333 PolarHBondContact OD1-N 3.41Å
304	T	97.6	Very high	96.3	Very high	66 Å²	66	36.5 Å²	36.5	41%	0.405	18%	0.179	S	C	.	.	H	α-helix	trans	-60	-46.6	176.3	-47.5	0	0	0	0	111.6	N302 A306 V307 M308	N302-T304 VanDerWaalsContact C-N 3.29Å; N302-T304 PolarHBondContact O-N 3.41Å; N302-T304 WeakPolarHBondContact OD1-CB 3.37Å; N302-T304 PolarHBondContact OD1-N 3.13Å; N302-T304 VanDerWaalsContact OD1-N 3.08Å; T304-A306 PolarHBondContact O-N 2.68Å; T304-V307 PolarHBondContact O-N 3.5Å; T304-M308 WeakPolarHBondContact O-CG 3.48Å; T304-M308 PolarHBondContact O-N 3.14Å; T304-M308 VanDerWaalsContact O-N 3.09Å
305	G	97.1	Very high	96.1	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-64.3	-39	177.2	0	0	0	0	0	113	N302 D303 M308 I309	N302-G305 PolarHBondContact O-N 3.29Å; N302-G305 VanDerWaalsContact O-N 3.15Å; N302-G305 PolarHBondContact OD1-N 3.43Å; D303-G305 PolarHBondContact O-N 3.02Å; G305-M308 PolarHBondContact O-N 2.84Å; G305-I309 WeakPolarHBondContact O-CB 3.45Å; G305-I309 VanDerWaalsContact O-CG1 3.29Å; G305-I309 WeakPolarHBondContact O-CG1 3.3Å; G305-I309 PolarHBondContact O-N 3.11Å
306	A	98.2	Very high	96	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-63.1	-38.8	174.2	0	0	0	0	0	112.7	I301 N302 D303 T304 I309 A310 I329 I337	I301-A306 HydrophobicContact CG2-CB 4.4Å; N302-A306 WeakPolarHBondContact O-CB 3.43Å; N302-A306 PolarHBondContact O-N 3.24Å; D303-A306 PolarHBondContact O-N 3.45Å; T304-A306 PolarHBondContact O-N 2.68Å; A306-I309 PolarHBondContact O-N 3.2Å; A306-A310 VanDerWaalsContact O-CB 3.28Å; A306-A310 WeakPolarHBondContact O-CB 3.43Å; A306-A310 PolarHBondContact O-N 2.89Å; A306-I329 HydrophobicContact CB-CD1 4.07Å; A306-I329 HydrophobicContact CB-CG1 4.06Å; A306-I329 HydrophobicContact CB-CG2 3.86Å; A306-I337 HydrophobicContact CB-CD1 3.64Å; A306-I337 HydrophobicContact CB-CG1 4.31Å
307	V	98.2	Very high	95.9	Very high	56 Å²	56	42.2 Å²	42.2	34%	0.339	22%	0.215	S	C	.	.	H	α-helix	trans	-64.3	-42.2	173.2	173.3	0	0	0	0	111.6	D303 T304 A310 S311 E336	D303-V307 WeakPolarHBondContact O-CG2 3.42Å; D303-V307 PolarHBondContact O-N 3.45Å; T304-V307 PolarHBondContact O-N 3.5Å; V307-A310 PolarHBondContact O-N 3.14Å; V307-S311 PolarHBondContact O-N 3.3Å; V307-E336 HydrophobicContact CG2-CB 4.18Å; V307-E336 HydrophobicContact CG2-CG 3.97Å
308	M	97.8	Very high	96	Very high	55 Å²	55	44.6 Å²	44.6	27%	0.271	22%	0.222	S	C	.	.	H	α-helix	trans	-65.2	-42.4	177.4	-65.3	-53.5	178.2	0	0	112.1	F278 Q282 T304 G305 S311 G312	F278-M308 HydrophobicContact CB-CB 4.13Å; F278-M308 HydrophobicContact CB-CG 4.14Å; F278-M308 WeakPolarHBondContact O-CB 3.48Å; Q282-M308 HydrophobicContact CB-CB 4.19Å; Q282-M308 WeakPolarHBondContact CB-O 3.22Å; Q282-M308 WeakPolarHBondContact CG-O 3.44Å; Q282-M308 PolarHBondContact OE1-SD 3.32Å; T304-M308 WeakPolarHBondContact O-CG 3.48Å; T304-M308 PolarHBondContact O-N 3.14Å; T304-M308 VanDerWaalsContact O-N 3.09Å; G305-M308 PolarHBondContact O-N 2.84Å; M308-S311 WeakPolarHBondContact O-CB 3.48Å; M308-S311 PolarHBondContact O-N 3.13Å; M308-G312 PolarHBondContact O-N 3.05Å
309	I	98.1	Very high	96.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.4	-47.2	173.2	-70.4	165.1	0	0	0	110.7	L281 L285 L296 I301 G305 A306 S311 G312 L313 L322 L324	L281-I309 HydrophobicContact CB-CG1 4.26Å; L281-I309 HydrophobicContact CD1-CD1 3.94Å; L281-I309 HydrophobicContact CD1-CG1 4.14Å; L285-I309 HydrophobicContact CD1-CB 4.25Å; L285-I309 HydrophobicContact CD1-CG1 4.33Å; L285-I309 HydrophobicContact CD1-CG2 3.87Å; L296-I309 HydrophobicContact CD1-CD1 4.25Å; I301-I309 HydrophobicContact CD1-CD1 3.7Å; I301-I309 HydrophobicContact CG1-CD1 4.33Å; I301-I309 HydrophobicContact CG2-CD1 4Å; G305-I309 WeakPolarHBondContact O-CB 3.45Å; G305-I309 VanDerWaalsContact O-CG1 3.29Å; G305-I309 WeakPolarHBondContact O-CG1 3.3Å; G305-I309 PolarHBondContact O-N 3.11Å; A306-I309 PolarHBondContact O-N 3.2Å; I309-S311 VanDerWaalsContact C-N 3.3Å; I309-S311 PolarHBondContact O-N 2.97Å; I309-G312 PolarHBondContact O-N 3.26Å; I309-L313 HydrophobicContact CG2-CD1 3.87Å; I309-L313 HydrophobicContact CG2-CG 4.29Å; I309-L313 WeakPolarHBondContact O-CB 3.11Å; I309-L313 VanDerWaalsContact O-CG 3.3Å; I309-L313 WeakPolarHBondContact O-CG 3.44Å; I309-L313 PolarHBondContact O-N 3.06Å; I309-L322 HydrophobicContact CG2-CD2 4.33Å; I309-L324 HydrophobicContact CD1-CD2 3.86Å; I309-L324 HydrophobicContact CG2-CD1 4.41Å
310	A	98	Very high	96.6	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.008	22%	0.224	C	C	.	.	H	α-helix	trans	-59.4	-40.1	175.7	0	0	0	0	0	111.9	A306 V307 G312 L313 R314 E336 I337 V340	A306-A310 VanDerWaalsContact O-CB 3.28Å; A306-A310 WeakPolarHBondContact O-CB 3.43Å; A306-A310 PolarHBondContact O-N 2.89Å; V307-A310 PolarHBondContact O-N 3.14Å; A310-G312 PolarHBondContact O-N 3.07Å; A310-L313 PolarHBondContact O-N 3.34Å; A310-R314 PolarHBondContact O-N 3.24Å; A310-E336 HydrophobicContact CB-CB 4.03Å; A310-I337 HydrophobicContact CB-CG1 4.24Å; A310-V340 HydrophobicContact CB-CG2 4.04Å; A310-V340 WeakPolarHBondContact O-CG2 3.47Å
311	S	97.1	Very high	96.9	Very high	49 Å²	49	41.9 Å²	41.9	34%	0.343	21%	0.213	S	C	.	.	H	α-helix	trans	-60.5	-45.3	175	-178.2	0	0	0	0	112.2	Q282 V307 M308 I309 R314	Q282-S311 PolarHBondContact NE2-OG 3.44Å; V307-S311 PolarHBondContact O-N 3.3Å; M308-S311 WeakPolarHBondContact O-CB 3.48Å; M308-S311 PolarHBondContact O-N 3.13Å; I309-S311 VanDerWaalsContact C-N 3.3Å; I309-S311 PolarHBondContact O-N 2.97Å; S311-R314 WeakPolarHBondContact O-CB 3.4Å; S311-R314 PolarHBondContact O-N 3.22Å
312	G	96.8	Very high	97.1	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-69.8	-33.8	177	0	0	0	0	0	113.7	T286 M308 I309 A310 R314 N316	T286-G312 WeakPolarHBondContact OG1-CA 3.37Å; M308-G312 PolarHBondContact O-N 3.05Å; I309-G312 PolarHBondContact O-N 3.26Å; A310-G312 PolarHBondContact O-N 3.07Å; G312-R314 PolarHBondContact O-N 2.92Å; G312-N316 PolarHBondContact O-N 3Å
313	L	97.3	Very high	97.2	Very high	17 Å²	17	40.2 Å²	40.2	9%	0.089	20%	0.204	C	C	.	.	H	α-helix	trans	-65.9	-21.7	174.2	-72.7	172.6	0	0	0	113.3	L285 I309 A310 T315 N316 L319 L322 V340	L285-L313 HydrophobicContact CD1-CG 4.32Å; L285-L313 HydrophobicContact CD2-CD2 4.1Å; I309-L313 HydrophobicContact CG2-CD1 3.87Å; I309-L313 HydrophobicContact CG2-CG 4.29Å; I309-L313 WeakPolarHBondContact O-CB 3.11Å; I309-L313 VanDerWaalsContact O-CG 3.3Å; I309-L313 WeakPolarHBondContact O-CG 3.44Å; I309-L313 PolarHBondContact O-N 3.06Å; A310-L313 PolarHBondContact O-N 3.34Å; L313-T315 VanDerWaalsContact C-N 3.26Å; L313-T315 PolarHBondContact O-N 3.11Å; L313-N316 PolarHBondContact O-N 3.43Å; L313-L319 HydrophobicContact CD2-CD2 3.75Å; L313-L322 HydrophobicContact CD1-CD2 3.71Å; L313-L322 HydrophobicContact CD2-CD2 4.34Å; L313-V340 HydrophobicContact CB-CG1 3.62Å
314	R	95.5	Very high	97.3	Very high	145 Å²	145	38.4 Å²	38.4	55%	0.547	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-28.1	-178.3	-168.3	178.5	-62	-82.4	-0.8	113.3	A310 S311 G312 E336 V340	A310-R314 PolarHBondContact O-N 3.24Å; S311-R314 WeakPolarHBondContact O-CB 3.4Å; S311-R314 PolarHBondContact O-N 3.22Å; G312-R314 PolarHBondContact O-N 2.92Å; R314-E336 IonicContact NH2-OE2 2.76Å; R314-V340 HydrophobicContact CB-CG1 4.45Å
315	T	93.6	Very high	97.2	Very high	76 Å²	76	35.3 Å²	35.3	47%	0.466	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-5.4	175.6	57.6	0	0	0	0	113	N288 L313	N288-T315 PolarHBondContact ND2-O 3.12Å; L313-T315 VanDerWaalsContact C-N 3.26Å; L313-T315 PolarHBondContact O-N 3.11Å
316	N	96.2	Very high	96.9	Very high	21 Å²	21	39.5 Å²	39.5	11%	0.112	19%	0.193	C	C	.	.			trans	-76.6	126.6	179.1	-167.9	-72.4	0	0	0	110.8	L285 G312 L313 R318 L319	L285-N316 PolarHBondContact O-ND2 3.46Å; G312-N316 PolarHBondContact O-N 3Å; L313-N316 PolarHBondContact O-N 3.43Å; N316-R318 PolarHBondContact OD1-N 3.36Å; N316-L319 WeakPolarHBondContact OD1-CB 3.45Å; N316-L319 PolarHBondContact OD1-N 3.11Å
317	T	95	Very high	96.7	Very high	64 Å²	64	39.7 Å²	39.7	39%	0.393	19%	0.194	S	C	.	.			trans	-126.1	28.8	-179.7	68.6	0	0	0	0	111.4	N288 I345 N346	N288-T317 PolarHBondContact ND2-N 2.82Å; N288-T317 PolarHBondContact ND2-OG1 3.38Å; N288-T317 PolarHBondContact OD1-N 3.49Å; T317-I345 HydrophobicContact CG2-CD1 4.12Å; T317-N346 PolarHBondContact O-ND2 2.84Å
318	R	95.3	Very high	96.6	Very high	108 Å²	108	41.2 Å²	41.2	41%	0.408	20%	0.2	S	C	.	.	S	Bend	trans	-133.5	-38	-179.7	-71.8	178.6	-171	-80.2	8.5	113.9	N288 T289 N316 K320	N288-R318 WeakPolarHBondContact O-CD 3.34Å; N288-R318 PolarHBondContact O-NE 3.19Å; N288-R318 WeakPolarHBondContact OD1-CB 3.48Å; N288-R318 VanDerWaalsContact OD1-CG 3.31Å; N288-R318 WeakPolarHBondContact OD1-CG 3.29Å; N288-R318 PolarHBondContact OD1-N 3.32Å; T289-R318 WeakPolarHBondContact O-CD 3.47Å; N316-R318 PolarHBondContact OD1-N 3.36Å; R318-K320 WeakPolarHBondContact O-CG 3.16Å; R318-K320 PolarHBondContact O-N 2.83Å; R318-K320 VanDerWaalsContact O-N 3.16Å
319	L	97.8	Very high	96.5	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.016	19%	0.187	C	C	.	.			trans	-60.5	118.7	-176	-170	73.2	0	0	0	111	L285 M291 L294 L313 N316 L322 N346 L347	L285-L319 HydrophobicContact CD2-CD2 3.92Å; M291-L319 HydrophobicContact CE-CD1 4.33Å; M291-L319 HydrophobicContact CG-CD1 4.26Å; L294-L319 HydrophobicContact CB-CD1 3.82Å; L294-L319 HydrophobicContact CB-CD2 4.48Å; L313-L319 HydrophobicContact CD2-CD2 3.75Å; N316-L319 WeakPolarHBondContact OD1-CB 3.45Å; N316-L319 PolarHBondContact OD1-N 3.11Å; L319-L322 HydrophobicContact CD2-CB 4Å; L319-L322 HydrophobicContact CD2-CD1 4.31Å; L319-L322 HydrophobicContact CD2-CD2 4.37Å; L319-L322 HydrophobicContact CD2-CG 4.46Å; L319-N346 CarbonylContact O-C 3.48Å; L319-L347 HydrophobicContact CD2-CD1 4.35Å; L319-L347 HydrophobicContact CG-CD1 4.38Å; L319-L347 WeakPolarHBondContact O-CA 3.38Å; L319-L347 PolarHBondContact O-N 3.22Å
320	K	98.3	Very high	96.5	Very high	78 Å²	78	45.1 Å²	45.1	34%	0.339	21%	0.212	S	C	.	.			trans	-96.8	-31.9	-179.6	-57.7	-173.4	179.1	92.4	0	112.5	D292 R318 N346 Q348 W349	D292-K320 WeakPolarHBondContact O-CA 3.02Å; D292-K320 PolarHBondContact O-N 3.4Å; D292-K320 IonicContact OD1-NZ 2.66Å; D292-K320 PolarHBondContact OD1-NZ 3.15Å; D292-K320 IonicContact OD2-NZ 3.88Å; D292-K320 PolarHBondContact OD2-NZ 2.66Å; R318-K320 WeakPolarHBondContact O-CG 3.16Å; R318-K320 PolarHBondContact O-N 2.83Å; R318-K320 VanDerWaalsContact O-N 3.16Å; K320-N346 WeakPolarHBondContact CA-O 3.47Å; K320-Q348 PolarHBondContact O-N 3.03Å; K320-W349 PolarHBondContact O-N 3.41Å
321	M	98.6	Very high	96.4	Very high	53 Å²	53	46.7 Å²	46.7	26%	0.261	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	126.6	-174.6	-177.9	178.8	-175.2	0	0	111.6	D292 T293 L294 W349	D292-M321 PolarHBondContact O-N 3.27Å; T293-M321 WeakPolarHBondContact CA-O 3.39Å; T293-M321 HydrophobicContact CG2-CB 3.98Å; T293-M321 HydrophobicContact CG2-CG 3.93Å; T293-M321 HydrophobicContact CG2-SD 3.68Å; L294-M321 PolarHBondContact N-O 3.28Å; M321-W349 WeakPolarHBondContact CA-O 3.1Å; M321-W349 HydrophobicContact CB-CB 4.19Å; M321-W349 HydrophobicContact CE-CD2 3.69Å; M321-W349 HydrophobicContact CE-CE3 3.65Å; M321-W349 HydrophobicContact CE-CG 4.39Å; M321-W349 HydrophobicContact CE-CH2 3.73Å; M321-W349 HydrophobicContact CE-CZ2 3.8Å; M321-W349 HydrophobicContact CE-CZ3 3.66Å; M321-W349 HydrophobicContact CG-CB 3.99Å; M321-W349 HydrophobicContact CG-CD2 3.82Å; M321-W349 HydrophobicContact CG-CE3 3.48Å; M321-W349 VanDerWaalsContact CG-CE3 3.48Å; M321-W349 HydrophobicContact CG-CG 4.05Å; M321-W349 HydrophobicContact CG-CZ3 4.17Å; M321-W349 HydrophobicContact SD-CD2 4.38Å; M321-W349 HydrophobicContact SD-CE3 4.39Å
322	L	98.7	Very high	96.4	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	122.2	176.8	179.9	57.4	0	0	0	110.9	L294 L296 I309 L313 L319 L324 L347 W349 L350 S351	L294-L322 HydrophobicContact CB-CD1 4.23Å; L294-L322 HydrophobicContact CD2-CD1 4.24Å; L294-L322 HydrophobicContact CG-CD1 4.24Å; L294-L322 WeakPolarHBondContact O-CA 3.42Å; L296-L322 HydrophobicContact CD1-CD1 4.49Å; I309-L322 HydrophobicContact CG2-CD2 4.33Å; L313-L322 HydrophobicContact CD1-CD2 3.71Å; L313-L322 HydrophobicContact CD2-CD2 4.34Å; L319-L322 HydrophobicContact CD2-CB 4Å; L319-L322 HydrophobicContact CD2-CD1 4.31Å; L319-L322 HydrophobicContact CD2-CD2 4.37Å; L319-L322 HydrophobicContact CD2-CG 4.46Å; L322-L324 HydrophobicContact CD1-CD2 4.23Å; L322-L324 HydrophobicContact CD1-CG 4.11Å; L322-L324 HydrophobicContact CD2-CD1 3.91Å; L322-L324 HydrophobicContact CD2-CG 4.25Å; L322-L324 HydrophobicContact CG-CD1 4.17Å; L322-L324 HydrophobicContact CG-CG 3.97Å; L322-L347 HydrophobicContact CB-CD1 3.87Å; L322-W349 PolarHBondContact N-O 2.85Å; L322-W349 WeakPolarHBondContact O-CZ3 3.43Å; L322-L350 HydrophobicContact CB-CD1 4.1Å; L322-L350 HydrophobicContact CD2-CD1 4.18Å; L322-L350 HydrophobicContact CG-CD1 4.11Å; L322-L350 WeakPolarHBondContact O-CA 3.02Å; L322-S351 PolarHBondContact O-N 3.08Å
323	D	98.6	Very high	96.5	Very high	14 Å²	14	49.4 Å²	49.4	8%	0.075	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	115.9	170.6	-167	2.6	0	0	0	110.9	L294 I295 L296 S325 W349 S351	L294-D323 PolarHBondContact O-N 3.2Å; I295-D323 HydrophobicContact CB-CB 4.38Å; I295-D323 HydrophobicContact CG1-CB 4.46Å; I295-D323 HydrophobicContact CG2-CB 3.89Å; L296-D323 CarbonylContact C-O 3.52Å; L296-D323 WeakPolarHBondContact CA-O 3.34Å; L296-D323 PolarHBondContact N-O 3.43Å; D323-S325 VanDerWaalsContact CG-OG 3.26Å; D323-S325 WeakPolarHBondContact OD1-CB 3.39Å; D323-S325 PolarHBondContact OD1-N 2.93Å; D323-S325 PolarHBondContact OD1-OG 2.99Å; D323-S325 PolarHBondContact OD2-OG 3.04Å; D323-W349 HydrophobicContact CB-CH2 4.22Å; D323-W349 HydrophobicContact CB-CZ3 3.79Å; D323-S351 WeakPolarHBondContact OD1-CB 3.18Å; D323-S351 PolarHBondContact OD1-OG 3.47Å
324	L	98.5	Very high	96.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.225	C	C	.	.			trans	-115.6	22.5	174.8	-66.3	172.2	0	0	0	111.2	L296 I301 I309 L322 N327 I329 I337 S351 L352 N355	L296-L324 HydrophobicContact CB-CD2 4.02Å; L296-L324 HydrophobicContact CD1-CD2 4.11Å; I301-L324 HydrophobicContact CD1-CD2 3.65Å; I309-L324 HydrophobicContact CD1-CD2 3.86Å; I309-L324 HydrophobicContact CG2-CD1 4.41Å; L322-L324 HydrophobicContact CD1-CD2 4.23Å; L322-L324 HydrophobicContact CD1-CG 4.11Å; L322-L324 HydrophobicContact CD2-CD1 3.91Å; L322-L324 HydrophobicContact CD2-CG 4.25Å; L322-L324 HydrophobicContact CG-CD1 4.17Å; L322-L324 HydrophobicContact CG-CG 3.97Å; L324-N327 VanDerWaalsContact C-ND2 3.27Å; L324-N327 PolarHBondContact O-ND2 2.91Å; L324-I329 HydrophobicContact CB-CD1 4.06Å; L324-I329 HydrophobicContact CD1-CD1 4.26Å; L324-I337 HydrophobicContact CD1-CD1 3.69Å; L324-S351 WeakPolarHBondContact CA-O 3.32Å; L324-S351 PolarHBondContact N-O 3.31Å; L324-L352 HydrophobicContact CB-CD2 3.73Å; L324-L352 HydrophobicContact CD1-CD2 4.02Å; L324-N355 PolarHBondContact O-ND2 3.01Å
325	S	95.7	Very high	96.6	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	159	179.9	57.9	0	0	0	0	114.6	K297 D298 D323 N327 S351 H353	K297-S325 CarbonylContact C-O 3.32Å; K297-S325 VanDerWaalsContact CA-O 3.24Å; K297-S325 WeakPolarHBondContact CA-O 3.27Å; K297-S325 WeakPolarHBondContact CD-OG 3.5Å; K297-S325 VanDerWaalsContact CG-OG 3.27Å; K297-S325 WeakPolarHBondContact CG-OG 3.39Å; D298-S325 PolarHBondContact N-O 3.26Å; D323-S325 VanDerWaalsContact CG-OG 3.26Å; D323-S325 WeakPolarHBondContact OD1-CB 3.39Å; D323-S325 PolarHBondContact OD1-N 2.93Å; D323-S325 PolarHBondContact OD1-OG 2.99Å; D323-S325 PolarHBondContact OD2-OG 3.04Å; S325-N327 PolarHBondContact O-N 3.49Å; S325-N327 PolarHBondContact O-ND2 3.02Å; S325-N327 VanDerWaalsContact O-ND2 3.15Å; S325-S351 WeakPolarHBondContact CB-OG 3.45Å; S325-H353 CarbonylContact C-O 3.27Å; S325-H353 WeakPolarHBondContact CA-O 3.26Å; S325-H353 WeakPolarHBondContact CB-CD2 3Å; S325-H353 WeakPolarHBondContact CB-NE2 3.39Å; S325-H353 VanDerWaalsContact CB-O 3.32Å; S325-H353 WeakPolarHBondContact CB-O 3.03Å
326	K	91.5	Very high	96.8	Very high	88 Å²	88	41.6 Å²	41.6	38%	0.383	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	29.6	179.6	-61.9	-171.3	172.2	-170.1	0	114.8	K297 D298 H353 W354	K297-K326 HydrophobicContact CG-CB 4.33Å; K297-K326 HydrophobicContact CG-CD 4.38Å; K297-K326 HydrophobicContact CG-CG 4.43Å; D298-K326 HydrophobicContact CB-CB 4.1Å; K326-H353 PolarHBondContact N-O 2.82Å; K326-W354 WeakPolarHBondContact CA-O 3.29Å; K326-W354 HydrophobicContact CG-CB 4.13Å; K326-W354 HydrophobicContact CG-CG 4.28Å
327	N	94.9	Very high	96.9	Very high	4 Å²	4	40.6 Å²	40.6	2%	0.021	19%	0.189	C	C	.	.	S	Bend	trans	-100	-172.5	179.4	-81	-61.8	0	0	0	111.7	L296 A299 R300 I301 L324 S325 I329 N355	L296-N327 PolarHBondContact O-ND2 3.41Å; A299-N327 PolarHBondContact N-OD1 3.2Å; R300-N327 PolarHBondContact N-OD1 3.03Å; I301-N327 HydrophobicContact CB-CB 4.11Å; I301-N327 PolarHBondContact N-OD1 2.98Å; I301-N327 WeakPolarHBondContact O-CB 3.42Å; L324-N327 VanDerWaalsContact C-ND2 3.27Å; L324-N327 PolarHBondContact O-ND2 2.91Å; S325-N327 PolarHBondContact O-N 3.49Å; S325-N327 PolarHBondContact O-ND2 3.02Å; S325-N327 VanDerWaalsContact O-ND2 3.15Å; N327-I329 HydrophobicContact CB-CD1 4.32Å; N327-I329 HydrophobicContact CB-CG1 4.06Å; N327-N355 WeakPolarHBondContact CA-OD1 3.44Å; N327-N355 VanDerWaalsContact CB-OD1 3.28Å; N327-N355 WeakPolarHBondContact CB-OD1 3.38Å; N327-N355 PolarHBondContact N-OD1 3.12Å; N327-N355 PolarHBondContact O-OD1 2.81Å; N327-N355 VanDerWaalsContact O-OD1 3.11Å
328	L	95	Very high	97.1	Very high	89 Å²	89	37.6 Å²	37.6	47%	0.466	17%	0.171	S	C	.	.	B	Isolated β-bridge	trans	-105.6	25.1	-178.1	-57.5	176.7	0	0	0	111.8	I301 N302	I301-L328 CarbonylContact O-C 3.45Å; I301-L328 WeakPolarHBondContact O-CA 3.48Å; I301-L328 PolarHBondContact O-N 3.45Å; N302-L328 HydrophobicContact CB-CB 4.26Å
329	I	96.7	Very high	97.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.167	C	C	.	.			trans	-73.9	127.4	-177.9	-50.9	176.1	0	0	0	108.9	I301 A306 L324 N327 A334 I337 L352 N355 Q356	I301-I329 HydrophobicContact CG2-CD1 4.13Å; I301-I329 HydrophobicContact CG2-CG1 4.1Å; I301-I329 PolarHBondContact O-N 3.27Å; A306-I329 HydrophobicContact CB-CD1 4.07Å; A306-I329 HydrophobicContact CB-CG1 4.06Å; A306-I329 HydrophobicContact CB-CG2 3.86Å; L324-I329 HydrophobicContact CB-CD1 4.06Å; L324-I329 HydrophobicContact CD1-CD1 4.26Å; N327-I329 HydrophobicContact CB-CD1 4.32Å; N327-I329 HydrophobicContact CB-CG1 4.06Å; I329-A334 HydrophobicContact CG2-CB 4.03Å; I329-I337 HydrophobicContact CD1-CD1 4.01Å; I329-I337 HydrophobicContact CG2-CD1 4.49Å; I329-L352 HydrophobicContact CD1-CD2 3.87Å; I329-N355 HydrophobicContact CB-CB 4.32Å; I329-N355 VanDerWaalsContact CB-OD1 3.3Å; I329-N355 WeakPolarHBondContact CB-OD1 3.45Å; I329-N355 WeakPolarHBondContact CG1-OD1 3.38Å; I329-N355 PolarHBondContact N-OD1 3.24Å; I329-Q356 CarbonylContact O-C 3.58Å; I329-Q356 WeakPolarHBondContact O-CA 3.36Å; I329-Q356 PolarHBondContact O-N 3.27Å
330	R	96.9	Very high	97.1	Very high	136 Å²	136	36.3 Å²	36.3	51%	0.513	17%	0.168	S	C	.	.			trans	-113.5	-150.8	178.8	-53.7	179	162.4	160.2	2.3	109.2	D303 A334 Q356 I357	D303-R330 WeakPolarHBondContact OD1-CA 3.26Å; D303-R330 PolarHBondContact OD1-N 3.49Å; D303-R330 WeakPolarHBondContact OD2-CB 3.25Å; R330-A334 WeakPolarHBondContact O-CB 3.42Å; R330-A334 PolarHBondContact O-N 3.26Å; R330-Q356 HydrophobicContact CB-CB 4.48Å; R330-Q356 HydrophobicContact CG-CB 3.93Å; R330-I357 CarbonylContact C-O 3.58Å
331	C	96.4	Very high	97	Very high	35 Å²	35	32.7 Å²	32.7	24%	0.236	15%	0.153	C	C	.	.	H	α-helix	trans	-68.7	-37.7	-172.1	58	0	0	0	0	113.4	L335 I357 S360 G361	C331-L335 WeakPolarHBondContact O-CB 3.29Å; C331-L335 PolarHBondContact O-N 3.42Å; C331-I357 WeakPolarHBondContact CA-O 3.29Å; C331-I357 VanDerWaalsContact CB-O 3.29Å; C331-I357 WeakPolarHBondContact CB-O 3.49Å; C331-I357 PolarHBondContact N-O 3.21Å; C331-I357 VanDerWaalsContact N-O 3.14Å; C331-S360 WeakPolarHBondContact CB-OG 3.17Å; C331-G361 WeakPolarHBondContact O-CA 3.25Å; C331-G361 PolarHBondContact O-N 3.14Å
332	E	97.2	Very high	96.8	Very high	105 Å²	105	30.9 Å²	30.9	49%	0.491	15%	0.146	S	C	.	.	H	α-helix	trans	-74.7	-49.3	-175.6	-59.1	-51.4	117.7	0	0	112.2	D303 A334 L335 E336	D303-E332 HydrophobicContact CB-CB 4.42Å; E332-A334 VanDerWaalsContact C-N 3.31Å; E332-A334 PolarHBondContact O-N 3.47Å; E332-L335 PolarHBondContact O-N 2.86Å; E332-E336 PolarHBondContact O-N 2.86Å
333	G	97.7	Very high	96.4	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-64.2	-38.4	177.9	0	0	0	0	0	112.3	D303 E336 I337	D303-G333 WeakPolarHBondContact OD1-CA 3.4Å; D303-G333 PolarHBondContact OD1-N 3.41Å; G333-E336 PolarHBondContact O-N 3.04Å; G333-I337 WeakPolarHBondContact O-CG1 3.5Å; G333-I337 PolarHBondContact O-N 3.23Å
334	A	98.3	Very high	96.2	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-69.8	-32.1	176.9	0	0	0	0	0	113.5	I329 R330 E332 A338 I357 F365	I329-A334 HydrophobicContact CG2-CB 4.03Å; R330-A334 WeakPolarHBondContact O-CB 3.42Å; R330-A334 PolarHBondContact O-N 3.26Å; E332-A334 VanDerWaalsContact C-N 3.31Å; E332-A334 PolarHBondContact O-N 3.47Å; A334-A338 VanDerWaalsContact O-CB 3.26Å; A334-A338 WeakPolarHBondContact O-CB 3.13Å; A334-A338 PolarHBondContact O-N 3.03Å; A334-I357 HydrophobicContact CB-CB 4.05Å; A334-I357 HydrophobicContact CB-CD1 4.3Å; A334-I357 HydrophobicContact CB-CG1 3.64Å; A334-I357 HydrophobicContact CB-CG2 3.62Å; A334-F365 HydrophobicContact CB-CE2 4.27Å
335	L	98.1	Very high	95.9	Very high	28 Å²	28	42 Å²	42	15%	0.147	21%	0.206	C	C	.	.	H	α-helix	trans	-65.5	-43	175	174.3	150.7	0	0	0	111.2	C331 E332 A338 K339 E364	C331-L335 WeakPolarHBondContact O-CB 3.29Å; C331-L335 PolarHBondContact O-N 3.42Å; E332-L335 PolarHBondContact O-N 2.86Å; L335-A338 PolarHBondContact O-N 3.39Å; L335-K339 HydrophobicContact CD2-CD 4.04Å; L335-K339 VanDerWaalsContact CD2-CE 3.41Å; L335-K339 VanDerWaalsContact CD2-NZ 3.32Å; L335-K339 WeakPolarHBondContact O-CG 3.24Å; L335-K339 PolarHBondContact O-N 2.93Å; L335-E364 HydrophobicContact CG-CB 4.36Å; L335-E364 HydrophobicContact CG-CG 4.35Å
336	E	97.9	Very high	95.9	Very high	46 Å²	46	45 Å²	45	22%	0.215	22%	0.222	C	C	.	.	H	α-helix	trans	-70.2	-38	175.4	-69.9	-54.6	135.3	0	0	112.7	V307 A310 R314 E332 G333 K339 V340	V307-E336 HydrophobicContact CG2-CB 4.18Å; V307-E336 HydrophobicContact CG2-CG 3.97Å; A310-E336 HydrophobicContact CB-CB 4.03Å; R314-E336 IonicContact NH2-OE2 2.76Å; E332-E336 PolarHBondContact O-N 2.86Å; G333-E336 PolarHBondContact O-N 3.04Å; E336-K339 PolarHBondContact O-N 3.28Å; E336-K339 WeakPolarHBondContact OE1-CD 3.42Å; E336-K339 IonicContact OE1-NZ 3.15Å; E336-K339 PolarHBondContact OE1-NZ 3.24Å; E336-V340 WeakPolarHBondContact O-CG2 3.45Å; E336-V340 PolarHBondContact O-N 2.88Å
337	I	98.3	Very high	96.2	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-58.4	-48.9	170.5	-72.9	169.9	0	0	0	110.5	A306 A310 L324 I329 G333 K339 V340 I341 L350 L352 F365	A306-I337 HydrophobicContact CB-CD1 3.64Å; A306-I337 HydrophobicContact CB-CG1 4.31Å; A310-I337 HydrophobicContact CB-CG1 4.24Å; L324-I337 HydrophobicContact CD1-CD1 3.69Å; I329-I337 HydrophobicContact CD1-CD1 4.01Å; I329-I337 HydrophobicContact CG2-CD1 4.49Å; G333-I337 WeakPolarHBondContact O-CG1 3.5Å; G333-I337 PolarHBondContact O-N 3.23Å; I337-K339 PolarHBondContact O-N 3.47Å; I337-V340 PolarHBondContact O-N 2.81Å; I337-I341 HydrophobicContact CG2-CD1 3.54Å; I337-I341 HydrophobicContact CG2-CG1 4.45Å; I337-I341 VanDerWaalsContact O-CD1 3.28Å; I337-I341 WeakPolarHBondContact O-CD1 3.47Å; I337-I341 VanDerWaalsContact O-CG1 3.28Å; I337-I341 WeakPolarHBondContact O-CG1 3.31Å; I337-I341 PolarHBondContact O-N 3.23Å; I337-I341 VanDerWaalsContact O-N 3.09Å; I337-L350 HydrophobicContact CG2-CD2 4.46Å; I337-L352 HydrophobicContact CD1-CD2 4.23Å; I337-L352 HydrophobicContact CG2-CD1 4.18Å; I337-F365 HydrophobicContact CG2-CZ 4.23Å
338	A	98.1	Very high	96.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-58.1	-47.5	178.9	0	0	0	0	0	112.2	A334 L335 V340 I341 A342 E364 F365 S368	A334-A338 VanDerWaalsContact O-CB 3.26Å; A334-A338 WeakPolarHBondContact O-CB 3.13Å; A334-A338 PolarHBondContact O-N 3.03Å; L335-A338 PolarHBondContact O-N 3.39Å; A338-V340 VanDerWaalsContact C-N 3.26Å; A338-V340 PolarHBondContact O-N 3.34Å; A338-I341 PolarHBondContact O-N 3.21Å; A338-A342 PolarHBondContact O-N 3.43Å; A338-A342 VanDerWaalsContact O-N 3.12Å; A338-E364 HydrophobicContact CB-CB 3.98Å; A338-E364 HydrophobicContact CB-CG 3.72Å; A338-F365 HydrophobicContact CB-CD1 4.1Å; A338-F365 HydrophobicContact CB-CD2 4.09Å; A338-F365 HydrophobicContact CB-CE1 4.08Å; A338-F365 HydrophobicContact CB-CE2 4.05Å; A338-F365 HydrophobicContact CB-CG 4.08Å; A338-F365 HydrophobicContact CB-CZ 4.02Å; A338-S368 WeakPolarHBondContact O-CB 3.46Å; A338-S368 PolarHBondContact O-OG 3.1Å
339	K	97.4	Very high	96.6	Very high	78 Å²	78	43.7 Å²	43.7	34%	0.339	21%	0.212	S	C	.	.	H	α-helix	trans	-57.4	-35.2	176.8	-77.2	173.6	180	172.6	0	114	L335 E336 I337 A342 N343 E364	L335-K339 HydrophobicContact CD2-CD 4.04Å; L335-K339 VanDerWaalsContact CD2-CE 3.41Å; L335-K339 VanDerWaalsContact CD2-NZ 3.32Å; L335-K339 WeakPolarHBondContact O-CG 3.24Å; L335-K339 PolarHBondContact O-N 2.93Å; E336-K339 PolarHBondContact O-N 3.28Å; E336-K339 WeakPolarHBondContact OE1-CD 3.42Å; E336-K339 IonicContact OE1-NZ 3.15Å; E336-K339 PolarHBondContact OE1-NZ 3.24Å; I337-K339 PolarHBondContact O-N 3.47Å; K339-A342 VanDerWaalsContact O-CB 3.28Å; K339-A342 WeakPolarHBondContact O-CB 3.37Å; K339-N343 PolarHBondContact O-ND2 3.13Å; K339-E364 HydrophobicContact CG-CG 4.14Å
340	V	96.2	Very high	96.7	Very high	6 Å²	6	43.7 Å²	43.7	4%	0.036	21%	0.212	C	C	.	.	H	α-helix	trans	-78.4	-38	-178.7	174.3	0	0	0	0	110.9	A310 L313 R314 E336 I337 A338 A342 N343 S344	A310-V340 HydrophobicContact CB-CG2 4.04Å; A310-V340 WeakPolarHBondContact O-CG2 3.47Å; L313-V340 HydrophobicContact CB-CG1 3.62Å; R314-V340 HydrophobicContact CB-CG1 4.45Å; E336-V340 WeakPolarHBondContact O-CG2 3.45Å; E336-V340 PolarHBondContact O-N 2.88Å; I337-V340 PolarHBondContact O-N 2.81Å; A338-V340 VanDerWaalsContact C-N 3.26Å; A338-V340 PolarHBondContact O-N 3.34Å; V340-A342 PolarHBondContact O-N 3.44Å; V340-N343 PolarHBondContact O-N 2.86Å; V340-N343 VanDerWaalsContact O-N 3.11Å; V340-S344 PolarHBondContact O-N 2.93Å; V340-S344 VanDerWaalsContact O-N 3.09Å
341	I	95.4	Very high	96.7	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.015	19%	0.189	C	C	.	.	H	α-helix	trans	-60.6	-31.5	172.5	-62.2	154.6	0	0	0	111.7	I337 A338 N343 S344 L347 L350 F365 N372 L375	I337-I341 HydrophobicContact CG2-CD1 3.54Å; I337-I341 HydrophobicContact CG2-CG1 4.45Å; I337-I341 VanDerWaalsContact O-CD1 3.28Å; I337-I341 WeakPolarHBondContact O-CD1 3.47Å; I337-I341 VanDerWaalsContact O-CG1 3.28Å; I337-I341 WeakPolarHBondContact O-CG1 3.31Å; I337-I341 PolarHBondContact O-N 3.23Å; I337-I341 VanDerWaalsContact O-N 3.09Å; A338-I341 PolarHBondContact O-N 3.21Å; I341-N343 PolarHBondContact O-N 2.96Å; I341-S344 PolarHBondContact O-N 3.44Å; I341-S344 VanDerWaalsContact O-N 3.15Å; I341-S344 PolarHBondContact O-OG 2.9Å; I341-S344 VanDerWaalsContact O-OG 3.09Å; I341-L347 HydrophobicContact CG1-CD2 4.23Å; I341-L350 HydrophobicContact CD1-CD2 3.18Å; I341-L350 HydrophobicContact CG1-CD2 4.15Å; I341-F365 HydrophobicContact CD1-CE1 3.78Å; I341-F365 HydrophobicContact CD1-CZ 4.35Å; I341-N372 HydrophobicContact CG2-CB 4.43Å; I341-N372 PolarHBondContact O-ND2 3Å; I341-L375 HydrophobicContact CG2-CD2 4.24Å
342	A	95	Very high	96.8	Very high	14 Å²	14	35.7 Å²	35.7	12%	0.116	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-26.8	175.7	0	0	0	0	0	113.8	A338 K339 V340 S371	A338-A342 PolarHBondContact O-N 3.43Å; A338-A342 VanDerWaalsContact O-N 3.12Å; K339-A342 VanDerWaalsContact O-CB 3.28Å; K339-A342 WeakPolarHBondContact O-CB 3.37Å; V340-A342 PolarHBondContact O-N 3.44Å; A342-S371 PolarHBondContact O-OG 3.16Å
343	N	91.4	Very high	96.6	Very high	125 Å²	125	32.5 Å²	32.5	67%	0.668	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-122.8	3.9	-177.4	-55.9	-77.1	0	0	0	113	K339 V340 I341 I345	K339-N343 PolarHBondContact O-ND2 3.13Å; V340-N343 PolarHBondContact O-N 2.86Å; V340-N343 VanDerWaalsContact O-N 3.11Å; I341-N343 PolarHBondContact O-N 2.96Å; N343-I345 PolarHBondContact O-N 3.46Å
344	S	93	Very high	96.3	Very high	19 Å²	19	38.9 Å²	38.9	13%	0.133	19%	0.187	C	C	.	.			trans	-69.6	129.6	178.6	65.6	0	0	0	0	109.9	V340 I341 N372 S374	V340-S344 PolarHBondContact O-N 2.93Å; V340-S344 VanDerWaalsContact O-N 3.09Å; I341-S344 PolarHBondContact O-N 3.44Å; I341-S344 VanDerWaalsContact O-N 3.15Å; I341-S344 PolarHBondContact O-OG 2.9Å; I341-S344 VanDerWaalsContact O-OG 3.09Å; S344-N372 PolarHBondContact OG-ND2 3.29Å; S344-S374 WeakPolarHBondContact O-CB 3.32Å; S344-S374 PolarHBondContact O-OG 2.91Å; S344-S374 PolarHBondContact OG-OG 3.42Å; S344-S374 VanDerWaalsContact OG-OG 3.09Å
345	I	93.5	Very high	96	Very high	104 Å²	104	39.2 Å²	39.2	53%	0.533	19%	0.188	S	C	.	.	S	Bend	trans	-93.5	-27.8	-179	59.2	172.1	0	0	0	113.6	T317 N343 S374	T317-I345 HydrophobicContact CG2-CD1 4.12Å; N343-I345 PolarHBondContact O-N 3.46Å; I345-S374 WeakPolarHBondContact O-CB 3.46Å
346	N	95.1	Very high	95.7	Very high	64 Å²	64	41.1 Å²	41.1	34%	0.342	20%	0.197	S	C	.	.	S	Bend	trans	-119.7	-10.8	-171.8	-75.6	-22.9	0	0	0	115.4	T317 L319 K320 Q348	T317-N346 PolarHBondContact O-ND2 2.84Å; L319-N346 CarbonylContact O-C 3.48Å; K320-N346 WeakPolarHBondContact CA-O 3.47Å; N346-Q348 PolarHBondContact O-N 3.04Å; N346-Q348 VanDerWaalsContact O-N 3.16Å
347	L	98	Very high	95.5	Very high	9 Å²	9	39 Å²	39	5%	0.047	19%	0.186	C	C	.	.			trans	-73	109	177.1	-171.8	70.9	0	0	0	110.2	L319 L322 I341 L350 S374 L375	L319-L347 HydrophobicContact CD2-CD1 4.35Å; L319-L347 HydrophobicContact CG-CD1 4.38Å; L319-L347 WeakPolarHBondContact O-CA 3.38Å; L319-L347 PolarHBondContact O-N 3.22Å; L322-L347 HydrophobicContact CB-CD1 3.87Å; I341-L347 HydrophobicContact CG1-CD2 4.23Å; L347-L350 HydrophobicContact CD2-CB 4.5Å; L347-S374 CarbonylContact O-C 3.55Å; L347-S374 VanDerWaalsContact O-CB 3.29Å; L347-S374 WeakPolarHBondContact O-CB 3.27Å; L347-S374 PolarHBondContact O-OG 3.13Å; L347-L375 HydrophobicContact CG-CD1 4.31Å; L347-L375 WeakPolarHBondContact O-CA 3.4Å; L347-L375 WeakPolarHBondContact O-CD1 2.93Å; L347-L375 PolarHBondContact O-N 2.67Å
348	Q	98.4	Very high	94.9	Very high	80 Å²	80	43.7 Å²	43.7	37%	0.374	20%	0.204	S	C	.	.			trans	-101.7	-27.5	-174.7	-71.1	172.9	11.4	0	0	113	K320 N346 S374 L376 Y377	K320-Q348 PolarHBondContact O-N 3.03Å; N346-Q348 PolarHBondContact O-N 3.04Å; N346-Q348 VanDerWaalsContact O-N 3.16Å; Q348-S374 WeakPolarHBondContact CA-O 3.5Å; Q348-S374 WeakPolarHBondContact CG-O 3.43Å; Q348-L376 HydrophobicContact CB-CD1 4.24Å; Q348-L376 HydrophobicContact CB-CG 4.25Å; Q348-L376 HydrophobicContact CG-CD1 4.18Å; Q348-L376 HydrophobicContact CG-CG 4.32Å; Q348-L376 WeakPolarHBondContact O-CA 3.11Å; Q348-L376 PolarHBondContact O-N 3.05Å; Q348-Y377 PolarHBondContact O-N 3.1Å
349	W	98.7	Very high	94.6	Very high	64 Å²	64	47.5 Å²	47.5	24%	0.242	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	126.1	-177.6	-170.5	107.9	0	0	0	110.2	K320 M321 L322 D323 Y377	K320-W349 PolarHBondContact O-N 3.41Å; M321-W349 WeakPolarHBondContact CA-O 3.1Å; M321-W349 HydrophobicContact CB-CB 4.19Å; M321-W349 HydrophobicContact CE-CD2 3.69Å; M321-W349 HydrophobicContact CE-CE3 3.65Å; M321-W349 HydrophobicContact CE-CG 4.39Å; M321-W349 HydrophobicContact CE-CH2 3.73Å; M321-W349 HydrophobicContact CE-CZ2 3.8Å; M321-W349 HydrophobicContact CE-CZ3 3.66Å; M321-W349 HydrophobicContact CG-CB 3.99Å; M321-W349 HydrophobicContact CG-CD2 3.82Å; M321-W349 HydrophobicContact CG-CE3 3.48Å; M321-W349 VanDerWaalsContact CG-CE3 3.48Å; M321-W349 HydrophobicContact CG-CG 4.05Å; M321-W349 HydrophobicContact CG-CZ3 4.17Å; M321-W349 HydrophobicContact SD-CD2 4.38Å; M321-W349 HydrophobicContact SD-CE3 4.39Å; L322-W349 PolarHBondContact N-O 2.85Å; L322-W349 WeakPolarHBondContact O-CZ3 3.43Å; D323-W349 HydrophobicContact CB-CH2 4.22Å; D323-W349 HydrophobicContact CB-CZ3 3.79Å; W349-Y377 VanDerWaalsContact CD1-CB 3.46Å; W349-Y377 AromaticContact CD1-CD1 3.36Å; W349-Y377 AromaticContact CD1-CG 3.4Å; W349-Y377 AromaticContact CD2-CD1 3.75Å; W349-Y377 HydrophobicContact CD2-CD1 3.75Å; W349-Y377 HydrophobicContact CD2-CE1 4.11Å; W349-Y377 AromaticContact CE2-CD1 3.4Å; W349-Y377 VanDerWaalsContact CE2-CD1 3.4Å; W349-Y377 AromaticContact CE2-CE1 3.38Å; W349-Y377 AromaticContact CG-CD1 3.73Å; W349-Y377 HydrophobicContact CG-CD1 3.73Å; W349-Y377 HydrophobicContact CG-CG 4.11Å; W349-Y377 HydrophobicContact CH2-CE1 4.46Å; W349-Y377 HydrophobicContact CZ2-CD1 4.09Å; W349-Y377 AromaticContact CZ2-CE1 3.58Å; W349-Y377 HydrophobicContact CZ2-CE1 3.58Å; W349-Y377 AromaticContact NE1-CD1 3.11Å; W349-Y377 AromaticContact NE1-CD2 3.87Å; W349-Y377 AromaticContact NE1-CE1 3.36Å; W349-Y377 AromaticContact NE1-CG 3.39Å; W349-Y377 AromaticContact NE1-CZ 3.86Å
350	L	98.7	Very high	94.4	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	130.6	175.4	178.2	64	0	0	0	111.3	L322 I337 I341 L347 L352 F365 L375 Y377 L378 D379	L322-L350 HydrophobicContact CB-CD1 4.1Å; L322-L350 HydrophobicContact CD2-CD1 4.18Å; L322-L350 HydrophobicContact CG-CD1 4.11Å; L322-L350 WeakPolarHBondContact O-CA 3.02Å; I337-L350 HydrophobicContact CG2-CD2 4.46Å; I341-L350 HydrophobicContact CD1-CD2 3.18Å; I341-L350 HydrophobicContact CG1-CD2 4.15Å; L347-L350 HydrophobicContact CD2-CB 4.5Å; L350-L352 HydrophobicContact CD1-CD1 4.48Å; L350-L352 HydrophobicContact CD1-CG 4.31Å; L350-L352 HydrophobicContact CD2-CD1 3.86Å; L350-L352 HydrophobicContact CG-CD1 4.18Å; L350-L352 HydrophobicContact CG-CG 4.32Å; L350-F365 HydrophobicContact CD2-CE1 4.46Å; L350-L375 HydrophobicContact CB-CD1 3.88Å; L350-Y377 PolarHBondContact N-O 3.37Å; L350-L378 HydrophobicContact CB-CD1 4.18Å; L350-L378 HydrophobicContact CD2-CD1 3.97Å; L350-L378 HydrophobicContact CG-CD1 4.13Å; L350-L378 WeakPolarHBondContact O-CA 3.3Å; L350-D379 PolarHBondContact O-N 2.71Å
351	S	98.5	Very high	94.2	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.021	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	129.8	167.7	159.2	0	0	0	0	110.6	L322 D323 L324 S325	L322-S351 PolarHBondContact O-N 3.08Å; D323-S351 WeakPolarHBondContact OD1-CB 3.18Å; D323-S351 PolarHBondContact OD1-OG 3.47Å; L324-S351 WeakPolarHBondContact CA-O 3.32Å; L324-S351 PolarHBondContact N-O 3.31Å; S325-S351 WeakPolarHBondContact CB-OG 3.45Å
352	L	98.3	Very high	94.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.228	C	C	.	.			trans	-126.4	21.5	171.2	-75.7	157.5	0	0	0	110.5	L324 I329 I337 L350 N355 I357 F365 D379 L380 N383	L324-L352 HydrophobicContact CB-CD2 3.73Å; L324-L352 HydrophobicContact CD1-CD2 4.02Å; I329-L352 HydrophobicContact CD1-CD2 3.87Å; I337-L352 HydrophobicContact CD1-CD2 4.23Å; I337-L352 HydrophobicContact CG2-CD1 4.18Å; L350-L352 HydrophobicContact CD1-CD1 4.48Å; L350-L352 HydrophobicContact CD1-CG 4.31Å; L350-L352 HydrophobicContact CD2-CD1 3.86Å; L350-L352 HydrophobicContact CG-CD1 4.18Å; L350-L352 HydrophobicContact CG-CG 4.32Å; L352-N355 WeakPolarHBondContact O-CB 3.19Å; L352-N355 PolarHBondContact O-ND2 3.07Å; L352-I357 HydrophobicContact CB-CD1 4.05Å; L352-I357 HydrophobicContact CD1-CD1 4.31Å; L352-F365 HydrophobicContact CD1-CE1 4.07Å; L352-F365 HydrophobicContact CD1-CE2 4.07Å; L352-F365 HydrophobicContact CD1-CZ 3.33Å; L352-D379 PolarHBondContact N-O 3.04Å; L352-L380 HydrophobicContact CB-CD2 4.32Å; L352-L380 HydrophobicContact CD1-CD2 4.28Å; L352-N383 PolarHBondContact O-ND2 3.28Å
353	H	93.1	Very high	94.3	Very high	39 Å²	39	48.9 Å²	48.9	18%	0.181	24%	0.24	C	C	.	.			trans	-60.4	148.6	-173.7	89.6	66.7	0	0	0	112	S325 K326 N355 D379 S381	S325-H353 CarbonylContact C-O 3.27Å; S325-H353 WeakPolarHBondContact CA-O 3.26Å; S325-H353 WeakPolarHBondContact CB-CD2 3Å; S325-H353 WeakPolarHBondContact CB-NE2 3.39Å; S325-H353 VanDerWaalsContact CB-O 3.32Å; S325-H353 WeakPolarHBondContact CB-O 3.03Å; K326-H353 PolarHBondContact N-O 2.82Å; H353-N355 PolarHBondContact O-ND2 3.04Å; H353-D379 WeakPolarHBondContact CB-OD1 3.28Å; H353-S381 WeakPolarHBondContact CA-O 3.3Å; H353-S381 WeakPolarHBondContact CB-OG 3.48Å
354	W	90	Very high	94.6	Very high	134 Å²	134	44.9 Å²	44.9	51%	0.508	22%	0.217	S	C	.	.	S	Bend	trans	55.5	51.7	-178.5	-162.7	-81.9	0	0	0	112.3	K326 S381 W382	K326-W354 WeakPolarHBondContact CA-O 3.29Å; K326-W354 HydrophobicContact CG-CB 4.13Å; K326-W354 HydrophobicContact CG-CG 4.28Å; W354-S381 PolarHBondContact N-O 3.16Å; W354-S381 VanDerWaalsContact N-O 3.1Å; W354-W382 HydrophobicContact CB-CB 4.18Å; W354-W382 HydrophobicContact CE3-CB 3.94Å; W354-W382 AromaticContact CE3-CD2 3.41Å; W354-W382 HydrophobicContact CE3-CD2 3.41Å; W354-W382 VanDerWaalsContact CE3-CD2 3.41Å; W354-W382 AromaticContact CE3-CE2 3.83Å; W354-W382 AromaticContact CE3-CE3 3.7Å; W354-W382 HydrophobicContact CE3-CE3 3.7Å; W354-W382 AromaticContact CE3-CG 3.55Å; W354-W382 HydrophobicContact CE3-CG 3.55Å; W354-W382 HydrophobicContact CE3-CZ2 4.46Å; W354-W382 HydrophobicContact CE3-CZ3 4.35Å; W354-W382 HydrophobicContact CH2-CE3 4.25Å; W354-W382 HydrophobicContact CH2-CH2 4.43Å; W354-W382 HydrophobicContact CH2-CZ3 4.15Å; W354-W382 AromaticContact CZ3-CD2 3.42Å; W354-W382 HydrophobicContact CZ3-CD2 3.42Å; W354-W382 VanDerWaalsContact CZ3-CD2 3.42Å; W354-W382 AromaticContact CZ3-CE2 3.6Å; W354-W382 AromaticContact CZ3-CE3 3.39Å; W354-W382 HydrophobicContact CZ3-CE3 3.39Å; W354-W382 HydrophobicContact CZ3-CG 4.09Å; W354-W382 AromaticContact CZ3-CH2 3.76Å; W354-W382 HydrophobicContact CZ3-CH2 3.76Å; W354-W382 AromaticContact CZ3-CZ2 3.78Å; W354-W382 HydrophobicContact CZ3-CZ2 3.78Å; W354-W382 AromaticContact CZ3-CZ3 3.57Å; W354-W382 HydrophobicContact CZ3-CZ3 3.57Å
355	N	92.3	Very high	94.8	Very high	6 Å²	6	44 Å²	44	3%	0.032	21%	0.211	C	C	.	.			trans	-117.7	-167.7	165.7	-81.3	-81.6	0	0	0	108.8	L324 N327 I329 L352 H353 I357 N383	L324-N355 PolarHBondContact O-ND2 3.01Å; N327-N355 WeakPolarHBondContact CA-OD1 3.44Å; N327-N355 VanDerWaalsContact CB-OD1 3.28Å; N327-N355 WeakPolarHBondContact CB-OD1 3.38Å; N327-N355 PolarHBondContact N-OD1 3.12Å; N327-N355 PolarHBondContact O-OD1 2.81Å; N327-N355 VanDerWaalsContact O-OD1 3.11Å; I329-N355 HydrophobicContact CB-CB 4.32Å; I329-N355 VanDerWaalsContact CB-OD1 3.3Å; I329-N355 WeakPolarHBondContact CB-OD1 3.45Å; I329-N355 WeakPolarHBondContact CG1-OD1 3.38Å; I329-N355 PolarHBondContact N-OD1 3.24Å; L352-N355 WeakPolarHBondContact O-CB 3.19Å; L352-N355 PolarHBondContact O-ND2 3.07Å; H353-N355 PolarHBondContact O-ND2 3.04Å; N355-I357 HydrophobicContact CB-CG1 4.32Å; N355-N383 WeakPolarHBondContact CA-OD1 3.42Å; N355-N383 WeakPolarHBondContact CB-OD1 3.29Å; N355-N383 PolarHBondContact N-OD1 2.93Å; N355-N383 PolarHBondContact O-OD1 2.84Å
356	Q	91.5	Very high	95	Very high	69 Å²	69	39.2 Å²	39.2	32%	0.322	19%	0.187	S	C	.	.			trans	-122.7	23.7	-173.5	-66.7	173.2	19	0	0	112.2	I329 R330 R358 N383	I329-Q356 CarbonylContact O-C 3.58Å; I329-Q356 WeakPolarHBondContact O-CA 3.36Å; I329-Q356 PolarHBondContact O-N 3.27Å; R330-Q356 HydrophobicContact CB-CB 4.48Å; R330-Q356 HydrophobicContact CG-CB 3.93Å; Q356-R358 PolarHBondContact O-N 3.38Å; Q356-N383 PolarHBondContact N-OD1 2.81Å
357	I	93.6	Very high	95.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.189	C	C	.	.			trans	-38.9	-76.6	-168.9	-64.3	171.7	0	0	0	112.6	R330 C331 A334 L352 N355 A362 F365 L380 N383 F385	R330-I357 CarbonylContact C-O 3.58Å; C331-I357 WeakPolarHBondContact CA-O 3.29Å; C331-I357 VanDerWaalsContact CB-O 3.29Å; C331-I357 WeakPolarHBondContact CB-O 3.49Å; C331-I357 PolarHBondContact N-O 3.21Å; C331-I357 VanDerWaalsContact N-O 3.14Å; A334-I357 HydrophobicContact CB-CB 4.05Å; A334-I357 HydrophobicContact CB-CD1 4.3Å; A334-I357 HydrophobicContact CB-CG1 3.64Å; A334-I357 HydrophobicContact CB-CG2 3.62Å; L352-I357 HydrophobicContact CB-CD1 4.05Å; L352-I357 HydrophobicContact CD1-CD1 4.31Å; N355-I357 HydrophobicContact CB-CG1 4.32Å; I357-A362 HydrophobicContact CG2-CB 4Å; I357-A362 VanDerWaalsContact CG2-N 3.3Å; I357-F365 HydrophobicContact CD1-CE2 4.09Å; I357-F365 HydrophobicContact CG2-CD2 4.46Å; I357-F365 HydrophobicContact CG2-CE2 4.42Å; I357-L380 HydrophobicContact CD1-CD2 3.68Å; I357-N383 HydrophobicContact CB-CB 4.23Å; I357-N383 HydrophobicContact CD1-CB 4.25Å; I357-N383 VanDerWaalsContact CD1-OD1 3.3Å; I357-N383 WeakPolarHBondContact CD1-OD1 3.49Å; I357-N383 HydrophobicContact CG1-CB 4.43Å; I357-N383 WeakPolarHBondContact CG1-OD1 3.15Å; I357-N383 PolarHBondContact N-OD1 3.49Å; I357-F385 HydrophobicContact CD1-CE2 4.42Å; I357-F385 HydrophobicContact CG2-CE2 4.34Å; I357-F385 HydrophobicContact CG2-CZ 4.35Å
358	R	87.3	Confident	95.1	Very high	100 Å²	100	39.1 Å²	39.1	38%	0.377	19%	0.187	S	C	.	.			trans	52.2	-178.4	177.4	-55.3	175.2	-171.6	163.5	7.1	114.2	Q356 S360 G361 A362 N383	Q356-R358 PolarHBondContact O-N 3.38Å; R358-S360 PolarHBondContact O-N 2.89Å; R358-G361 PolarHBondContact O-N 2.98Å; R358-A362 VanDerWaalsContact C-CB 3.45Å; R358-A362 WeakPolarHBondContact O-CB 3.42Å; R358-A362 PolarHBondContact O-N 3.16Å; R358-N383 WeakPolarHBondContact CG-O 3.41Å
359	S	90.8	Very high	95	Very high	81 Å²	81	35.3 Å²	35.3	57%	0.566	17%	0.169	S	C	*	.	H	α-helix	trans	42.5	-123.8	164.3	-54.4	0	0	0	0	115.2	A362 F363 C389	S359-A362 PolarHBondContact O-N 3.26Å; S359-F363 WeakPolarHBondContact O-CB 3.22Å; S359-F363 PolarHBondContact O-N 3.42Å; S359-C389 PolarHBondContact O-SG 3.44Å; S359-C389 VanDerWaalsContact O-SG 3.4Å
360	S	93	Very high	94.9	Very high	45 Å²	45	33.2 Å²	33.2	32%	0.315	17%	0.167	S	C	.	.	H	α-helix	trans	-63.8	-45.1	-176.4	45.1	0	0	0	0	113.1	C331 R358 A362 F363 E364	C331-S360 WeakPolarHBondContact CB-OG 3.17Å; R358-S360 PolarHBondContact O-N 2.89Å; S360-A362 PolarHBondContact O-N 3.25Å; S360-F363 WeakPolarHBondContact O-CB 3.38Å; S360-F363 PolarHBondContact O-N 2.94Å; S360-E364 PolarHBondContact O-N 2.85Å
361	G	92.7	Very high	94.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-60.4	-42.5	176.2	0	0	0	0	0	112.8	C331 R358 F363 E364 F365	C331-G361 WeakPolarHBondContact O-CA 3.25Å; C331-G361 PolarHBondContact O-N 3.14Å; R358-G361 PolarHBondContact O-N 2.98Å; G361-F363 VanDerWaalsContact C-N 3.33Å; G361-F363 PolarHBondContact O-N 2.91Å; G361-E364 PolarHBondContact O-N 3.33Å; G361-F365 VanDerWaalsContact O-CD2 3.24Å; G361-F365 WeakPolarHBondContact O-CD2 3.35Å; G361-F365 PolarHBondContact O-N 2.8Å
362	A	95.2	Very high	94.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-67	-35	177.4	0	0	0	0	0	112.2	I357 R358 S359 S360 F385 C389	I357-A362 HydrophobicContact CG2-CB 4Å; I357-A362 VanDerWaalsContact CG2-N 3.3Å; R358-A362 VanDerWaalsContact C-CB 3.45Å; R358-A362 WeakPolarHBondContact O-CB 3.42Å; R358-A362 PolarHBondContact O-N 3.16Å; S359-A362 PolarHBondContact O-N 3.26Å; S360-A362 PolarHBondContact O-N 3.25Å; A362-F385 HydrophobicContact CB-CD1 3.91Å; A362-F385 HydrophobicContact CB-CD2 4.49Å; A362-F385 HydrophobicContact CB-CE1 3.54Å; A362-F385 HydrophobicContact CB-CE2 4.15Å; A362-F385 HydrophobicContact CB-CG 4.36Å; A362-F385 HydrophobicContact CB-CZ 3.66Å; A362-F385 WeakPolarHBondContact O-CE1 3.37Å; A362-C389 HydrophobicContact CB-CB 3.82Å
363	F	97.4	Very high	94.6	Very high	85 Å²	85	40.3 Å²	40.3	37%	0.373	21%	0.213	S	C	.	.	H	α-helix	trans	-67.3	-42.7	174.5	-168.7	-87.3	0	0	0	111.5	S359 S360 G361 F365 G366 N392	S359-F363 WeakPolarHBondContact O-CB 3.22Å; S359-F363 PolarHBondContact O-N 3.42Å; S360-F363 WeakPolarHBondContact O-CB 3.38Å; S360-F363 PolarHBondContact O-N 2.94Å; G361-F363 VanDerWaalsContact C-N 3.33Å; G361-F363 PolarHBondContact O-N 2.91Å; F363-F365 VanDerWaalsContact C-N 3.33Å; F363-F365 PolarHBondContact O-N 3.45Å; F363-G366 PolarHBondContact O-N 3.4Å; F363-N392 HydrophobicContact CD2-CB 3.72Å; F363-N392 WeakPolarHBondContact CE1-ND2 3.24Å; F363-N392 HydrophobicContact CE2-CB 3.57Å; F363-N392 HydrophobicContact CG-CB 4.27Å; F363-N392 HydrophobicContact CZ-CB 4Å; F363-N392 VanDerWaalsContact CZ-CG 3.48Å; F363-N392 PolarHBondContact O-ND2 3.42Å
364	E	97.9	Very high	94.8	Very high	41 Å²	41	38.9 Å²	38.9	19%	0.192	21%	0.207	C	C	.	.	H	α-helix	trans	-66.4	-30.7	-177.1	-170.2	60.7	-169	0	0	113.1	L335 A338 K339 S360 G361 G366 N367 S368	L335-E364 HydrophobicContact CG-CB 4.36Å; L335-E364 HydrophobicContact CG-CG 4.35Å; A338-E364 HydrophobicContact CB-CB 3.98Å; A338-E364 HydrophobicContact CB-CG 3.72Å; K339-E364 HydrophobicContact CG-CG 4.14Å; S360-E364 PolarHBondContact O-N 2.85Å; G361-E364 PolarHBondContact O-N 3.33Å; E364-G366 PolarHBondContact O-N 2.93Å; E364-N367 WeakPolarHBondContact O-CB 2.97Å; E364-N367 PolarHBondContact O-N 3.01Å; E364-N367 PolarHBondContact OE2-ND2 3.03Å; E364-S368 PolarHBondContact O-N 2.97Å; E364-S368 PolarHBondContact O-OG 3.49Å
365	F	97.8	Very high	95.2	Very high	1 Å²	1	32.5 Å²	32.5	0%	0.004	18%	0.183	C	C	.	.	H	α-helix	trans	-56.8	-30.5	169.5	-86	-72	0	0	0	113.4	A334 I337 A338 I341 L350 L352 I357 G361 F363 S368 L369 L378 L380 F385 L393	A334-F365 HydrophobicContact CB-CE2 4.27Å; I337-F365 HydrophobicContact CG2-CZ 4.23Å; A338-F365 HydrophobicContact CB-CD1 4.1Å; A338-F365 HydrophobicContact CB-CD2 4.09Å; A338-F365 HydrophobicContact CB-CE1 4.08Å; A338-F365 HydrophobicContact CB-CE2 4.05Å; A338-F365 HydrophobicContact CB-CG 4.08Å; A338-F365 HydrophobicContact CB-CZ 4.02Å; I341-F365 HydrophobicContact CD1-CE1 3.78Å; I341-F365 HydrophobicContact CD1-CZ 4.35Å; L350-F365 HydrophobicContact CD2-CE1 4.46Å; L352-F365 HydrophobicContact CD1-CE1 4.07Å; L352-F365 HydrophobicContact CD1-CE2 4.07Å; L352-F365 HydrophobicContact CD1-CZ 3.33Å; I357-F365 HydrophobicContact CD1-CE2 4.09Å; I357-F365 HydrophobicContact CG2-CD2 4.46Å; I357-F365 HydrophobicContact CG2-CE2 4.42Å; G361-F365 VanDerWaalsContact O-CD2 3.24Å; G361-F365 WeakPolarHBondContact O-CD2 3.35Å; G361-F365 PolarHBondContact O-N 2.8Å; F363-F365 VanDerWaalsContact C-N 3.33Å; F363-F365 PolarHBondContact O-N 3.45Å; F365-S368 WeakPolarHBondContact CA-OG 3.44Å; F365-S368 PolarHBondContact O-OG 2.97Å; F365-L369 VanDerWaalsContact O-CB 3.29Å; F365-L369 WeakPolarHBondContact O-CB 3.45Å; F365-L369 VanDerWaalsContact O-CG 3.25Å; F365-L369 WeakPolarHBondContact O-CG 3.42Å; F365-L369 PolarHBondContact O-N 3.36Å; F365-L369 VanDerWaalsContact O-N 3.09Å; F365-L378 HydrophobicContact CD1-CD2 4.32Å; F365-L380 HydrophobicContact CB-CD1 4.48Å; F365-L380 HydrophobicContact CD1-CD1 4.49Å; F365-L380 HydrophobicContact CD2-CD2 4.19Å; F365-L380 HydrophobicContact CE1-CD2 4.48Å; F365-L380 HydrophobicContact CE2-CD2 4.12Å; F365-L380 HydrophobicContact CG-CD1 4.3Å; F365-L380 HydrophobicContact CG-CD2 4.43Å; F365-L380 HydrophobicContact CZ-CD2 4.3Å; F365-F385 HydrophobicContact CD2-CZ 4.35Å; F365-L393 HydrophobicContact CB-CD1 3.85Å
366	G	97	Very high	95.5	Very high	3 Å²	3	35.4 Å²	35.4	3%	0.031	20%	0.198	C	C	.	.	H	α-helix	trans	-70.8	-36	172.6	0	0	0	0	0	113.3	F363 E364 N392 G396	F363-G366 PolarHBondContact O-N 3.4Å; E364-G366 PolarHBondContact O-N 2.93Å; G366-N392 VanDerWaalsContact CA-O 3.32Å; G366-N392 WeakPolarHBondContact CA-O 3.39Å; G366-G396 WeakPolarHBondContact O-CA 3.33Å
367	N	97.1	Very high	95.9	Very high	70 Å²	70	34.1 Å²	34.1	37%	0.374	19%	0.191	S	C	.	.	H	α-helix	trans	-69.4	-48.6	175.9	-63	-24.3	0	0	0	110.6	E364 G370 N392	E364-N367 WeakPolarHBondContact O-CB 2.97Å; E364-N367 PolarHBondContact O-N 3.01Å; E364-N367 PolarHBondContact OE2-ND2 3.03Å; N367-G370 PolarHBondContact O-N 3.27Å; N367-G370 VanDerWaalsContact O-N 3.13Å; N367-N392 PolarHBondContact OD1-ND2 3.44Å
368	S	97.5	Very high	96.1	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.007	19%	0.191	C	C	.	.	H	α-helix	trans	-71.2	-37.9	-174.2	65.1	0	0	0	0	114	A338 E364 F365 G370 S371 N372	A338-S368 WeakPolarHBondContact O-CB 3.46Å; A338-S368 PolarHBondContact O-OG 3.1Å; E364-S368 PolarHBondContact O-N 2.97Å; E364-S368 PolarHBondContact O-OG 3.49Å; F365-S368 WeakPolarHBondContact CA-OG 3.44Å; F365-S368 PolarHBondContact O-OG 2.97Å; S368-G370 PolarHBondContact O-N 3.45Å; S368-S371 PolarHBondContact O-N 3.27Å; S368-S371 PolarHBondContact O-OG 3.28Å; S368-N372 VanDerWaalsContact O-CB 3.32Å; S368-N372 WeakPolarHBondContact O-CB 3.36Å; S368-N372 PolarHBondContact O-N 3.24Å
369	L	97	Very high	96.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60.5	-30	170.7	-77.2	177.8	0	0	0	111.8	F365 S371 L375 L378 L393 L397 N400 L403	F365-L369 VanDerWaalsContact O-CB 3.29Å; F365-L369 WeakPolarHBondContact O-CB 3.45Å; F365-L369 VanDerWaalsContact O-CG 3.25Å; F365-L369 WeakPolarHBondContact O-CG 3.42Å; F365-L369 PolarHBondContact O-N 3.36Å; F365-L369 VanDerWaalsContact O-N 3.09Å; L369-S371 PolarHBondContact O-N 3.42Å; L369-L375 HydrophobicContact CD2-CD2 4.16Å; L369-L378 HydrophobicContact CD1-CD2 3.91Å; L369-L378 HydrophobicContact CD2-CD2 3.99Å; L369-L378 HydrophobicContact CG-CD2 4.26Å; L369-L393 HydrophobicContact CD1-CD1 3.67Å; L369-L393 HydrophobicContact CD1-CG 4.43Å; L369-L397 HydrophobicContact CD1-CD2 4.31Å; L369-N400 WeakPolarHBondContact O-CB 3.32Å; L369-N400 PolarHBondContact O-ND2 3.1Å; L369-L403 HydrophobicContact CD1-CD2 4.41Å; L369-L403 HydrophobicContact CD2-CD2 4.29Å
370	G	95.7	Very high	97	Very high	19 Å²	19	26 Å²	26	20%	0.196	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-20.3	178.9	0	0	0	0	0	114.9	N367 S368 R399	N367-G370 PolarHBondContact O-N 3.27Å; N367-G370 VanDerWaalsContact O-N 3.13Å; S368-G370 PolarHBondContact O-N 3.45Å; G370-R399 WeakPolarHBondContact O-CB 3.46Å
371	S	95.5	Very high	97	Very high	67 Å²	67	24.2 Å²	24.2	47%	0.469	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114	-21.7	175.9	65.3	0	0	0	0	114.2	A342 S368 L369 T373	A342-S371 PolarHBondContact O-OG 3.16Å; S368-S371 PolarHBondContact O-N 3.27Å; S368-S371 PolarHBondContact O-OG 3.28Å; L369-S371 PolarHBondContact O-N 3.42Å; S371-T373 PolarHBondContact O-N 3.45Å
372	N	97.8	Very high	96.9	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.016	16%	0.155	C	C	.	.			trans	-63	133.8	-177.6	173.7	-87.3	0	0	0	112.4	I341 S344 S368 S374 L375 N400	I341-N372 HydrophobicContact CG2-CB 4.43Å; I341-N372 PolarHBondContact O-ND2 3Å; S344-N372 PolarHBondContact OG-ND2 3.29Å; S368-N372 VanDerWaalsContact O-CB 3.32Å; S368-N372 WeakPolarHBondContact O-CB 3.36Å; S368-N372 PolarHBondContact O-N 3.24Å; N372-S374 PolarHBondContact ND2-OG 3.01Å; N372-S374 PolarHBondContact OD1-N 3.41Å; N372-L375 WeakPolarHBondContact OD1-CB 3.28Å; N372-L375 PolarHBondContact OD1-N 2.88Å; N372-N400 PolarHBondContact O-ND2 3.09Å
373	T	96.3	Very high	96.6	Very high	83 Å²	83	29.3 Å²	29.3	51%	0.509	16%	0.155	S	C	.	.	S	Bend	trans	-114	-6	178.3	56.2	0	0	0	0	114.4	S371 H402	S371-T373 PolarHBondContact O-N 3.45Å; T373-H402 WeakPolarHBondContact CA-ND1 3.15Å; T373-H402 PolarHBondContact O-CD2 3.09Å
374	S	97.5	Very high	96.2	Very high	8 Å²	8	25.7 Å²	25.7	6%	0.056	14%	0.142	C	C	.	.	S	Bend	trans	-98.1	-33.4	-173.6	71.2	0	0	0	0	114.4	S344 I345 L347 Q348 N372 L376	S344-S374 WeakPolarHBondContact O-CB 3.32Å; S344-S374 PolarHBondContact O-OG 2.91Å; S344-S374 PolarHBondContact OG-OG 3.42Å; S344-S374 VanDerWaalsContact OG-OG 3.09Å; I345-S374 WeakPolarHBondContact O-CB 3.46Å; L347-S374 CarbonylContact O-C 3.55Å; L347-S374 VanDerWaalsContact O-CB 3.29Å; L347-S374 WeakPolarHBondContact O-CB 3.27Å; L347-S374 PolarHBondContact O-OG 3.13Å; Q348-S374 WeakPolarHBondContact CA-O 3.5Å; Q348-S374 WeakPolarHBondContact CG-O 3.43Å; N372-S374 PolarHBondContact ND2-OG 3.01Å; N372-S374 PolarHBondContact OD1-N 3.41Å; S374-L376 PolarHBondContact O-N 3.48Å
375	L	98.4	Very high	95.9	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	13%	0.133	C	C	.	.			trans	-80.9	122.7	-162.7	-161.1	73	0	0	0	110.4	I341 L347 L350 L369 N372 L378 L403	I341-L375 HydrophobicContact CG2-CD2 4.24Å; L347-L375 HydrophobicContact CG-CD1 4.31Å; L347-L375 WeakPolarHBondContact O-CA 3.4Å; L347-L375 WeakPolarHBondContact O-CD1 2.93Å; L347-L375 PolarHBondContact O-N 2.67Å; L350-L375 HydrophobicContact CB-CD1 3.88Å; L369-L375 HydrophobicContact CD2-CD2 4.16Å; N372-L375 WeakPolarHBondContact OD1-CB 3.28Å; N372-L375 PolarHBondContact OD1-N 2.88Å; L375-L378 HydrophobicContact CD2-CB 3.87Å; L375-L378 HydrophobicContact CD2-CD1 4.22Å; L375-L378 HydrophobicContact CD2-CD2 4.1Å; L375-L378 HydrophobicContact CD2-CG 4.29Å; L375-L403 HydrophobicContact CB-CD1 4.4Å; L375-L403 HydrophobicContact CD2-CD1 4.2Å; L375-L403 HydrophobicContact CG-CD1 4.12Å; L375-L403 VanDerWaalsContact O-CA 3.25Å; L375-L403 WeakPolarHBondContact O-CA 3.32Å; L375-L403 PolarHBondContact O-N 2.94Å
376	L	98.6	Very high	95.5	Very high	67 Å²	67	27 Å²	27	35%	0.351	15%	0.15	S	C	.	.	S	Bend	trans	-103.6	-30.8	179.6	-55.7	-179.3	0	0	0	111.4	Q348 S374 H402 K404 E405	Q348-L376 HydrophobicContact CB-CD1 4.24Å; Q348-L376 HydrophobicContact CB-CG 4.25Å; Q348-L376 HydrophobicContact CG-CD1 4.18Å; Q348-L376 HydrophobicContact CG-CG 4.32Å; Q348-L376 WeakPolarHBondContact O-CA 3.11Å; Q348-L376 PolarHBondContact O-N 3.05Å; S374-L376 PolarHBondContact O-N 3.48Å; L376-H402 WeakPolarHBondContact CD2-O 3.34Å; L376-K404 CarbonylContact O-C 3.41Å; L376-K404 WeakPolarHBondContact O-CA 3.48Å; L376-K404 PolarHBondContact O-N 2.91Å; L376-E405 PolarHBondContact O-N 3.38Å
377	Y	98.8	Very high	95.2	Very high	42 Å²	42	28.2 Å²	28.2	17%	0.165	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	134.1	178.9	176.1	-79.8	0	0	0	111	Q348 W349 L350 D379 E405	Q348-Y377 PolarHBondContact O-N 3.1Å; W349-Y377 VanDerWaalsContact CD1-CB 3.46Å; W349-Y377 AromaticContact CD1-CD1 3.36Å; W349-Y377 AromaticContact CD1-CG 3.4Å; W349-Y377 AromaticContact CD2-CD1 3.75Å; W349-Y377 HydrophobicContact CD2-CD1 3.75Å; W349-Y377 HydrophobicContact CD2-CE1 4.11Å; W349-Y377 AromaticContact CE2-CD1 3.4Å; W349-Y377 VanDerWaalsContact CE2-CD1 3.4Å; W349-Y377 AromaticContact CE2-CE1 3.38Å; W349-Y377 AromaticContact CG-CD1 3.73Å; W349-Y377 HydrophobicContact CG-CD1 3.73Å; W349-Y377 HydrophobicContact CG-CG 4.11Å; W349-Y377 HydrophobicContact CH2-CE1 4.46Å; W349-Y377 HydrophobicContact CZ2-CD1 4.09Å; W349-Y377 AromaticContact CZ2-CE1 3.58Å; W349-Y377 HydrophobicContact CZ2-CE1 3.58Å; W349-Y377 AromaticContact NE1-CD1 3.11Å; W349-Y377 AromaticContact NE1-CD2 3.87Å; W349-Y377 AromaticContact NE1-CE1 3.36Å; W349-Y377 AromaticContact NE1-CG 3.39Å; W349-Y377 AromaticContact NE1-CZ 3.86Å; L350-Y377 PolarHBondContact N-O 3.37Å; Y377-D379 HydrophobicContact CE1-CB 3.76Å; Y377-D379 PolarHBondContact OH-OD2 3.34Å; Y377-E405 HydrophobicContact CD2-CB 3.81Å; Y377-E405 HydrophobicContact CD2-CG 3.78Å; Y377-E405 HydrophobicContact CE2-CB 4.42Å; Y377-E405 VanDerWaalsContact CE2-CD 3.42Å; Y377-E405 HydrophobicContact CE2-CG 3.88Å; Y377-E405 WeakPolarHBondContact CE2-OE1 3.15Å
378	L	98.7	Very high	95	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	119.8	174.9	-180	54	0	0	0	111.9	L350 F365 L369 L375 L380 L403 E405 L406 N407	L350-L378 HydrophobicContact CB-CD1 4.18Å; L350-L378 HydrophobicContact CD2-CD1 3.97Å; L350-L378 HydrophobicContact CG-CD1 4.13Å; L350-L378 WeakPolarHBondContact O-CA 3.3Å; F365-L378 HydrophobicContact CD1-CD2 4.32Å; L369-L378 HydrophobicContact CD1-CD2 3.91Å; L369-L378 HydrophobicContact CD2-CD2 3.99Å; L369-L378 HydrophobicContact CG-CD2 4.26Å; L375-L378 HydrophobicContact CD2-CB 3.87Å; L375-L378 HydrophobicContact CD2-CD1 4.22Å; L375-L378 HydrophobicContact CD2-CD2 4.1Å; L375-L378 HydrophobicContact CD2-CG 4.29Å; L378-L380 HydrophobicContact CD1-CD1 4.41Å; L378-L380 HydrophobicContact CD1-CD2 4.29Å; L378-L380 HydrophobicContact CD1-CG 3.99Å; L378-L380 HydrophobicContact CD2-CD1 3.73Å; L378-L380 HydrophobicContact CD2-CG 4.2Å; L378-L380 HydrophobicContact CG-CD1 3.96Å; L378-L380 HydrophobicContact CG-CG 3.89Å; L378-L403 HydrophobicContact CB-CD1 3.97Å; L378-E405 PolarHBondContact N-O 2.86Å; L378-L406 HydrophobicContact CB-CD1 4.19Å; L378-L406 HydrophobicContact CD2-CD1 4.19Å; L378-L406 HydrophobicContact CG-CD1 4.13Å; L378-L406 WeakPolarHBondContact O-CA 3.45Å; L378-N407 PolarHBondContact O-N 2.6Å
379	D	98.6	Very high	94.9	Very high	11 Å²	11	33.4 Å²	33.4	6%	0.059	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	112.5	170.2	-160.5	-31.4	0	0	0	112.3	L350 L352 H353 Y377 S381 N407	L350-D379 PolarHBondContact O-N 2.71Å; L352-D379 PolarHBondContact N-O 3.04Å; H353-D379 WeakPolarHBondContact CB-OD1 3.28Å; Y377-D379 HydrophobicContact CE1-CB 3.76Å; Y377-D379 PolarHBondContact OH-OD2 3.34Å; D379-S381 WeakPolarHBondContact OD1-CB 3.28Å; D379-S381 PolarHBondContact OD1-N 2.89Å; D379-S381 PolarHBondContact OD1-OG 3.4Å; D379-N407 HydrophobicContact CB-CB 4.2Å; D379-N407 VanDerWaalsContact CG-ND2 3.28Å; D379-N407 PolarHBondContact OD1-ND2 2.93Å; D379-N407 PolarHBondContact OD2-ND2 2.73Å
380	L	98.4	Very high	94.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.184	C	C	.	.			trans	-118	20.3	175.1	-68.9	170.2	0	0	0	111.4	L352 I357 F365 L378 N383 F385 L393 L406 N407 L408 N411	L352-L380 HydrophobicContact CB-CD2 4.32Å; L352-L380 HydrophobicContact CD1-CD2 4.28Å; I357-L380 HydrophobicContact CD1-CD2 3.68Å; F365-L380 HydrophobicContact CB-CD1 4.48Å; F365-L380 HydrophobicContact CD1-CD1 4.49Å; F365-L380 HydrophobicContact CD2-CD2 4.19Å; F365-L380 HydrophobicContact CE1-CD2 4.48Å; F365-L380 HydrophobicContact CE2-CD2 4.12Å; F365-L380 HydrophobicContact CG-CD1 4.3Å; F365-L380 HydrophobicContact CG-CD2 4.43Å; F365-L380 HydrophobicContact CZ-CD2 4.3Å; L378-L380 HydrophobicContact CD1-CD1 4.41Å; L378-L380 HydrophobicContact CD1-CD2 4.29Å; L378-L380 HydrophobicContact CD1-CG 3.99Å; L378-L380 HydrophobicContact CD2-CD1 3.73Å; L378-L380 HydrophobicContact CD2-CG 4.2Å; L378-L380 HydrophobicContact CG-CD1 3.96Å; L378-L380 HydrophobicContact CG-CG 3.89Å; L380-N383 PolarHBondContact O-ND2 2.78Å; L380-F385 HydrophobicContact CB-CD2 4.4Å; L380-F385 HydrophobicContact CB-CE2 3.88Å; L380-F385 HydrophobicContact CB-CZ 4.24Å; L380-F385 HydrophobicContact CD1-CE1 4.14Å; L380-F385 HydrophobicContact CD1-CE2 4.17Å; L380-F385 HydrophobicContact CD1-CZ 3.66Å; L380-F385 HydrophobicContact CD2-CE2 3.99Å; L380-F385 HydrophobicContact CD2-CZ 3.96Å; L380-F385 HydrophobicContact CG-CE2 4.24Å; L380-F385 HydrophobicContact CG-CZ 4.17Å; L380-L393 HydrophobicContact CD1-CD1 4.36Å; L380-L393 HydrophobicContact CD1-CD2 4.46Å; L380-L406 HydrophobicContact CD1-CD1 4.38Å; L380-N407 CarbonylContact C-O 3.57Å; L380-N407 WeakPolarHBondContact CA-O 3.38Å; L380-N407 PolarHBondContact N-O 3.34Å; L380-L408 HydrophobicContact CB-CD2 3.94Å; L380-N411 PolarHBondContact O-ND2 2.77Å
381	S	93.5	Very high	94.9	Very high	7 Å²	7	35.3 Å²	35.3	5%	0.049	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	155	177.2	64.3	0	0	0	0	112.2	H353 W354 D379 N383 N407 K409	H353-S381 WeakPolarHBondContact CA-O 3.3Å; H353-S381 WeakPolarHBondContact CB-OG 3.48Å; W354-S381 PolarHBondContact N-O 3.16Å; W354-S381 VanDerWaalsContact N-O 3.1Å; D379-S381 WeakPolarHBondContact OD1-CB 3.28Å; D379-S381 PolarHBondContact OD1-N 2.89Å; D379-S381 PolarHBondContact OD1-OG 3.4Å; S381-N383 PolarHBondContact O-N 3.27Å; S381-N383 VanDerWaalsContact O-N 3.16Å; S381-N383 PolarHBondContact O-ND2 3.09Å; S381-N407 PolarHBondContact N-O 2.81Å; S381-K409 CarbonylContact C-O 3.59Å; S381-K409 WeakPolarHBondContact CA-O 3.36Å; S381-K409 WeakPolarHBondContact CB-O 3.48Å
382	W	90.1	Very high	95	Very high	106 Å²	106	33 Å²	33	40%	0.402	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	17.8	-178.9	-73.5	99.2	0	0	0	116.9	W354 K409 Y410	W354-W382 HydrophobicContact CB-CB 4.18Å; W354-W382 HydrophobicContact CE3-CB 3.94Å; W354-W382 AromaticContact CE3-CD2 3.41Å; W354-W382 HydrophobicContact CE3-CD2 3.41Å; W354-W382 VanDerWaalsContact CE3-CD2 3.41Å; W354-W382 AromaticContact CE3-CE2 3.83Å; W354-W382 AromaticContact CE3-CE3 3.7Å; W354-W382 HydrophobicContact CE3-CE3 3.7Å; W354-W382 AromaticContact CE3-CG 3.55Å; W354-W382 HydrophobicContact CE3-CG 3.55Å; W354-W382 HydrophobicContact CE3-CZ2 4.46Å; W354-W382 HydrophobicContact CE3-CZ3 4.35Å; W354-W382 HydrophobicContact CH2-CE3 4.25Å; W354-W382 HydrophobicContact CH2-CH2 4.43Å; W354-W382 HydrophobicContact CH2-CZ3 4.15Å; W354-W382 AromaticContact CZ3-CD2 3.42Å; W354-W382 HydrophobicContact CZ3-CD2 3.42Å; W354-W382 VanDerWaalsContact CZ3-CD2 3.42Å; W354-W382 AromaticContact CZ3-CE2 3.6Å; W354-W382 AromaticContact CZ3-CE3 3.39Å; W354-W382 HydrophobicContact CZ3-CE3 3.39Å; W354-W382 HydrophobicContact CZ3-CG 4.09Å; W354-W382 AromaticContact CZ3-CH2 3.76Å; W354-W382 HydrophobicContact CZ3-CH2 3.76Å; W354-W382 AromaticContact CZ3-CZ2 3.78Å; W354-W382 HydrophobicContact CZ3-CZ2 3.78Å; W354-W382 AromaticContact CZ3-CZ3 3.57Å; W354-W382 HydrophobicContact CZ3-CZ3 3.57Å; W382-K409 PolarHBondContact N-O 3.21Å; W382-Y410 WeakPolarHBondContact CA-O 3.44Å; W382-Y410 AromaticContact CD1-CD2 3.88Å; W382-Y410 VanDerWaalsContact CD2-CB 3.44Å; W382-Y410 HydrophobicContact CD2-CD1 4.37Å; W382-Y410 AromaticContact CD2-CG 3.92Å; W382-Y410 HydrophobicContact CD2-CG 3.92Å; W382-Y410 AromaticContact CE2-CD1 3.57Å; W382-Y410 AromaticContact CE2-CD2 3.62Å; W382-Y410 AromaticContact CE2-CG 3.25Å; W382-Y410 HydrophobicContact CG-CG 4.36Å; W382-Y410 AromaticContact CH2-CD1 3.67Å; W382-Y410 HydrophobicContact CH2-CD1 3.67Å; W382-Y410 HydrophobicContact CH2-CE1 4.12Å; W382-Y410 HydrophobicContact CH2-CG 4.2Å; W382-Y410 AromaticContact CZ2-CD1 3.18Å; W382-Y410 HydrophobicContact CZ2-CD1 3.18Å; W382-Y410 AromaticContact CZ2-CD2 3.97Å; W382-Y410 HydrophobicContact CZ2-CD2 3.97Å; W382-Y410 AromaticContact CZ2-CE1 3.49Å; W382-Y410 HydrophobicContact CZ2-CE1 3.49Å; W382-Y410 VanDerWaalsContact CZ2-CE1 3.49Å; W382-Y410 HydrophobicContact CZ2-CE2 4.24Å; W382-Y410 AromaticContact CZ2-CG 3.44Å; W382-Y410 HydrophobicContact CZ2-CG 3.44Å; W382-Y410 VanDerWaalsContact CZ2-CG 3.44Å; W382-Y410 HydrophobicContact CZ3-CD1 4.43Å; W382-Y410 AromaticContact NE1-CD2 3.16Å; W382-Y410 AromaticContact NE1-CE2 3.78Å; W382-Y410 AromaticContact NE1-CG 3.31Å; W382-Y410 VanDerWaalsContact NE1-CG 3.31Å
383	N	90	Very high	95	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.169	C	C	.	.	S	Bend	trans	-98.1	-13.5	-176.3	-85.7	-74.9	0	0	0	115.4	L352 N355 Q356 I357 R358 L380 S381 F385 N411	L352-N383 PolarHBondContact O-ND2 3.28Å; N355-N383 WeakPolarHBondContact CA-OD1 3.42Å; N355-N383 WeakPolarHBondContact CB-OD1 3.29Å; N355-N383 PolarHBondContact N-OD1 2.93Å; N355-N383 PolarHBondContact O-OD1 2.84Å; Q356-N383 PolarHBondContact N-OD1 2.81Å; I357-N383 HydrophobicContact CB-CB 4.23Å; I357-N383 HydrophobicContact CD1-CB 4.25Å; I357-N383 VanDerWaalsContact CD1-OD1 3.3Å; I357-N383 WeakPolarHBondContact CD1-OD1 3.49Å; I357-N383 HydrophobicContact CG1-CB 4.43Å; I357-N383 WeakPolarHBondContact CG1-OD1 3.15Å; I357-N383 PolarHBondContact N-OD1 3.49Å; R358-N383 WeakPolarHBondContact CG-O 3.41Å; L380-N383 PolarHBondContact O-ND2 2.78Å; S381-N383 PolarHBondContact O-N 3.27Å; S381-N383 VanDerWaalsContact O-N 3.16Å; S381-N383 PolarHBondContact O-ND2 3.09Å; N383-F385 HydrophobicContact CB-CD2 3.78Å; N383-F385 HydrophobicContact CB-CE2 3.77Å; N383-N411 PolarHBondContact N-OD1 3.01Å; N383-N411 VanDerWaalsContact N-OD1 3.13Å
384	G	87.4	Confident	95.1	Very high	9 Å²	9	29 Å²	29	9%	0.093	15%	0.146	C	C	.	.			trans	83.1	28.5	-178.9	0	0	0	0	0	115.2	N411	G384-N411 PolarHBondContact N-OD1 3.34Å
385	F	92.3	Very high	95.1	Very high	1 Å²	1	33.5 Å²	33.5	0%	0.004	16%	0.164	C	C	.	.			trans	-57	135.1	171.6	-81.3	-107.4	0	0	0	111.6	I357 A362 F365 L380 N383 L393 L408 N411 R412	I357-F385 HydrophobicContact CD1-CE2 4.42Å; I357-F385 HydrophobicContact CG2-CE2 4.34Å; I357-F385 HydrophobicContact CG2-CZ 4.35Å; A362-F385 HydrophobicContact CB-CD1 3.91Å; A362-F385 HydrophobicContact CB-CD2 4.49Å; A362-F385 HydrophobicContact CB-CE1 3.54Å; A362-F385 HydrophobicContact CB-CE2 4.15Å; A362-F385 HydrophobicContact CB-CG 4.36Å; A362-F385 HydrophobicContact CB-CZ 3.66Å; A362-F385 WeakPolarHBondContact O-CE1 3.37Å; F365-F385 HydrophobicContact CD2-CZ 4.35Å; L380-F385 HydrophobicContact CB-CD2 4.4Å; L380-F385 HydrophobicContact CB-CE2 3.88Å; L380-F385 HydrophobicContact CB-CZ 4.24Å; L380-F385 HydrophobicContact CD1-CE1 4.14Å; L380-F385 HydrophobicContact CD1-CE2 4.17Å; L380-F385 HydrophobicContact CD1-CZ 3.66Å; L380-F385 HydrophobicContact CD2-CE2 3.99Å; L380-F385 HydrophobicContact CD2-CZ 3.96Å; L380-F385 HydrophobicContact CG-CE2 4.24Å; L380-F385 HydrophobicContact CG-CZ 4.17Å; N383-F385 HydrophobicContact CB-CD2 3.78Å; N383-F385 HydrophobicContact CB-CE2 3.77Å; F385-L393 HydrophobicContact CD1-CD2 4.31Å; F385-L393 HydrophobicContact CE1-CD1 4.47Å; F385-L393 HydrophobicContact CE1-CD2 4.27Å; F385-L408 HydrophobicContact CB-CD2 4.49Å; F385-L408 HydrophobicContact CG-CD2 4.29Å; F385-N411 HydrophobicContact CB-CB 4.17Å; F385-N411 PolarHBondContact N-OD1 2.95Å; F385-R412 CarbonylContact O-C 3.59Å; F385-R412 WeakPolarHBondContact O-CA 3.27Å; F385-R412 PolarHBondContact O-N 3.15Å
386	N	89.2	Confident	95	Very high	70 Å²	70	33.5 Å²	33.5	37%	0.374	17%	0.165	S	C	.	.			trans	-162.7	173.2	175	65.2	6.2	0	0	0	112.3	K388 C389 L390 R412	N386-K388 PolarHBondContact O-N 3.49Å; N386-C389 WeakPolarHBondContact O-CB 3.49Å; N386-C389 PolarHBondContact O-N 3.2Å; N386-C389 VanDerWaalsContact O-N 3.11Å; N386-L390 PolarHBondContact O-N 3.21Å; N386-R412 HydrophobicContact CB-CB 3.96Å; N386-R412 VanDerWaalsContact CB-O 3.24Å; N386-R412 WeakPolarHBondContact CB-O 3.46Å
387	G	90.6	Very high	95	Very high	27 Å²	27	30.3 Å²	30.3	28%	0.278	15%	0.148	S	C	.	.	H	α-helix	trans	47.1	-131.9	168.2	0	0	0	0	0	114.1	C389 L390 E391 S417	G387-C389 PolarHBondContact O-N 3.21Å; G387-C389 VanDerWaalsContact O-N 3.15Å; G387-L390 PolarHBondContact O-N 2.88Å; G387-E391 PolarHBondContact O-N 3.38Å; G387-S417 WeakPolarHBondContact CA-OG 3.49Å; G387-S417 PolarHBondContact N-OG 3.24Å
388	K	93.1	Very high	94.9	Very high	163 Å²	163	31.2 Å²	31.2	71%	0.709	16%	0.158	S	C	*	.	H	α-helix	trans	-57.7	-27	-179.5	-65	-173	177.2	-174	0	114.1	N386 N392	N386-K388 PolarHBondContact O-N 3.49Å; K388-N392 WeakPolarHBondContact O-CB 3.19Å; K388-N392 PolarHBondContact O-N 3.49Å
389	C	94.5	Very high	94.8	Very high	18 Å²	18	40.2 Å²	40.2	12%	0.122	19%	0.192	C	C	.	.	H	α-helix	trans	-72.6	-40.5	177.8	-53.5	0	0	0	0	110.6	S359 A362 N386 G387 N392 L393	S359-C389 PolarHBondContact O-SG 3.44Å; S359-C389 VanDerWaalsContact O-SG 3.4Å; A362-C389 HydrophobicContact CB-CB 3.82Å; N386-C389 WeakPolarHBondContact O-CB 3.49Å; N386-C389 PolarHBondContact O-N 3.2Å; N386-C389 VanDerWaalsContact O-N 3.11Å; G387-C389 PolarHBondContact O-N 3.21Å; G387-C389 VanDerWaalsContact O-N 3.15Å; C389-N392 PolarHBondContact O-N 3.28Å; C389-L393 PolarHBondContact O-N 3.45Å
390	L	96.8	Very high	94.7	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-70.4	-41.2	174.5	-169	76	0	0	0	111.5	N386 G387 N392 L393 G394 L408 I413 F421	N386-L390 PolarHBondContact O-N 3.21Å; G387-L390 PolarHBondContact O-N 2.88Å; L390-N392 VanDerWaalsContact C-N 3.29Å; L390-N392 PolarHBondContact O-N 3.27Å; L390-L393 HydrophobicContact CD1-CD2 4.18Å; L390-L393 WeakPolarHBondContact O-CA 3.07Å; L390-L393 VanDerWaalsContact O-CB 3.32Å; L390-L393 WeakPolarHBondContact O-CB 3.12Å; L390-L393 PolarHBondContact O-N 2.85Å; L390-L393 VanDerWaalsContact O-N 3.11Å; L390-G394 PolarHBondContact O-N 3.01Å; L390-L408 HydrophobicContact CD1-CD1 3.9Å; L390-I413 HydrophobicContact CD1-CD1 3.76Å; L390-I413 HydrophobicContact CD1-CG1 4.22Å; L390-I413 HydrophobicContact CD2-CB 4.18Å; L390-I413 HydrophobicContact CD2-CD1 3.9Å; L390-I413 HydrophobicContact CD2-CG1 3.8Å; L390-I413 HydrophobicContact CD2-CG2 3.47Å; L390-I413 VanDerWaalsContact CD2-CG2 3.47Å; L390-I413 HydrophobicContact CG-CD1 4.5Å; L390-F421 HydrophobicContact CD1-CD2 3.88Å; L390-F421 HydrophobicContact CD1-CE2 4.14Å; L390-F421 HydrophobicContact CD1-CG 4.37Å; L390-F421 HydrophobicContact CD2-CB 3.85Å; L390-F421 HydrophobicContact CD2-CD2 4.33Å; L390-F421 HydrophobicContact CD2-CG 4.05Å; L390-F421 HydrophobicContact CG-CB 3.92Å; L390-F421 HydrophobicContact CG-CD2 3.69Å; L390-F421 HydrophobicContact CG-CE2 4.44Å; L390-F421 HydrophobicContact CG-CG 3.91Å; L390-F421 WeakPolarHBondContact O-CD2 3.49Å
391	E	96.6	Very high	94.5	Very high	59 Å²	59	43.5 Å²	43.5	28%	0.276	21%	0.214	S	C	.	.	H	α-helix	trans	-54.1	-45.4	171.2	176.5	-169.9	158	0	0	111.4	G387 L393 G394 K395 P420	G387-E391 PolarHBondContact O-N 3.38Å; E391-L393 VanDerWaalsContact C-N 3.35Å; E391-L393 PolarHBondContact O-N 3.24Å; E391-G394 PolarHBondContact O-N 3.12Å; E391-K395 HydrophobicContact CG-CD 4.46Å; E391-K395 WeakPolarHBondContact O-CG 3.43Å; E391-K395 PolarHBondContact O-N 3Å; E391-K395 WeakPolarHBondContact OE1-CE 3.38Å; E391-K395 IonicContact OE1-NZ 3.55Å; E391-K395 PolarHBondContact OE1-NZ 3.34Å; E391-P420 HydrophobicContact CB-CB 4.47Å; E391-P420 HydrophobicContact CB-CG 4.36Å; E391-P420 HydrophobicContact CG-CB 4.12Å; E391-P420 HydrophobicContact CG-CG 4.49Å
392	N	97.5	Very high	94.7	Very high	18 Å²	18	46.1 Å²	46.1	10%	0.096	23%	0.226	C	C	.	.	H	α-helix	trans	-67.5	-35	177.3	-156.2	58.8	0	0	0	112.6	F363 G366 N367 K388 C389 L390 G394 K395 G396	F363-N392 HydrophobicContact CD2-CB 3.72Å; F363-N392 WeakPolarHBondContact CE1-ND2 3.24Å; F363-N392 HydrophobicContact CE2-CB 3.57Å; F363-N392 HydrophobicContact CG-CB 4.27Å; F363-N392 HydrophobicContact CZ-CB 4Å; F363-N392 VanDerWaalsContact CZ-CG 3.48Å; F363-N392 PolarHBondContact O-ND2 3.42Å; G366-N392 VanDerWaalsContact CA-O 3.32Å; G366-N392 WeakPolarHBondContact CA-O 3.39Å; N367-N392 PolarHBondContact OD1-ND2 3.44Å; K388-N392 WeakPolarHBondContact O-CB 3.19Å; K388-N392 PolarHBondContact O-N 3.49Å; C389-N392 PolarHBondContact O-N 3.28Å; L390-N392 VanDerWaalsContact C-N 3.29Å; L390-N392 PolarHBondContact O-N 3.27Å; N392-G394 VanDerWaalsContact C-N 3.32Å; N392-G394 PolarHBondContact O-N 3.27Å; N392-K395 WeakPolarHBondContact O-CB 3.44Å; N392-K395 PolarHBondContact O-N 3.42Å; N392-G396 PolarHBondContact O-N 2.97Å
393	L	97.8	Very high	95.1	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-59.3	-44.1	171.7	-161.7	72.6	0	0	0	111.3	F365 L369 L380 F385 C389 L390 E391 G396 L397 L406 L408 F421	F365-L393 HydrophobicContact CB-CD1 3.85Å; L369-L393 HydrophobicContact CD1-CD1 3.67Å; L369-L393 HydrophobicContact CD1-CG 4.43Å; L380-L393 HydrophobicContact CD1-CD1 4.36Å; L380-L393 HydrophobicContact CD1-CD2 4.46Å; F385-L393 HydrophobicContact CD1-CD2 4.31Å; F385-L393 HydrophobicContact CE1-CD1 4.47Å; F385-L393 HydrophobicContact CE1-CD2 4.27Å; C389-L393 PolarHBondContact O-N 3.45Å; L390-L393 HydrophobicContact CD1-CD2 4.18Å; L390-L393 WeakPolarHBondContact O-CA 3.07Å; L390-L393 VanDerWaalsContact O-CB 3.32Å; L390-L393 WeakPolarHBondContact O-CB 3.12Å; L390-L393 PolarHBondContact O-N 2.85Å; L390-L393 VanDerWaalsContact O-N 3.11Å; E391-L393 VanDerWaalsContact C-N 3.35Å; E391-L393 PolarHBondContact O-N 3.24Å; L393-G396 PolarHBondContact O-N 2.85Å; L393-L397 WeakPolarHBondContact O-CG 2.96Å; L393-L397 PolarHBondContact O-N 2.86Å; L393-L406 HydrophobicContact CD2-CD2 4.16Å; L393-L408 HydrophobicContact CD2-CD1 3.96Å; L393-L408 HydrophobicContact CD2-CD2 3.96Å; L393-L408 HydrophobicContact CD2-CG 4.5Å; L393-F421 HydrophobicContact CD2-CE2 4.39Å
394	G	97.9	Very high	95.5	Very high	2 Å²	2	44.6 Å²	44.6	2%	0.021	22%	0.222	C	C	.	.	H	α-helix	trans	-59.5	-45	171.7	0	0	0	0	0	112.4	L390 E391 N392 G396 L397 T398 C424	L390-G394 PolarHBondContact O-N 3.01Å; E391-G394 PolarHBondContact O-N 3.12Å; N392-G394 VanDerWaalsContact C-N 3.32Å; N392-G394 PolarHBondContact O-N 3.27Å; G394-G396 VanDerWaalsContact C-N 3.28Å; G394-G396 PolarHBondContact O-N 3.06Å; G394-L397 PolarHBondContact O-N 3.36Å; G394-T398 PolarHBondContact O-N 2.9Å; G394-C424 WeakPolarHBondContact O-CB 3.25Å
395	K	97.6	Very high	96.1	Very high	102 Å²	102	46 Å²	46	44%	0.443	23%	0.226	S	C	.	.	H	α-helix	trans	-59.7	-37.1	175.5	-71.8	170.3	176.6	171.5	0	112.4	E391 N392 T398	E391-K395 HydrophobicContact CG-CD 4.46Å; E391-K395 WeakPolarHBondContact O-CG 3.43Å; E391-K395 PolarHBondContact O-N 3Å; E391-K395 WeakPolarHBondContact OE1-CE 3.38Å; E391-K395 IonicContact OE1-NZ 3.55Å; E391-K395 PolarHBondContact OE1-NZ 3.34Å; N392-K395 WeakPolarHBondContact O-CB 3.44Å; N392-K395 PolarHBondContact O-N 3.42Å; K395-T398 PolarHBondContact O-N 2.99Å; K395-T398 PolarHBondContact O-OG1 3.04Å
396	G	98	Very high	96.4	Very high	2 Å²	2	46 Å²	46	2%	0.021	23%	0.226	C	C	.	.	H	α-helix	trans	-60.1	-48.7	170.2	0	0	0	0	0	112.6	G366 N392 L393 G394 T398 R399 N400	G366-G396 WeakPolarHBondContact O-CA 3.33Å; N392-G396 PolarHBondContact O-N 2.97Å; L393-G396 PolarHBondContact O-N 2.85Å; G394-G396 VanDerWaalsContact C-N 3.28Å; G394-G396 PolarHBondContact O-N 3.06Å; G396-T398 VanDerWaalsContact C-N 3.26Å; G396-T398 PolarHBondContact O-N 2.92Å; G396-R399 PolarHBondContact O-N 2.9Å; G396-N400 PolarHBondContact O-N 3.46Å
397	L	97.8	Very high	96.8	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-63.5	-25	179.6	-65.7	170.4	0	0	0	114	L369 L393 G394 R399 L403 L406 F421 C424 N428	L369-L397 HydrophobicContact CD1-CD2 4.31Å; L393-L397 WeakPolarHBondContact O-CG 2.96Å; L393-L397 PolarHBondContact O-N 2.86Å; G394-L397 PolarHBondContact O-N 3.36Å; L397-R399 PolarHBondContact O-N 2.91Å; L397-L403 HydrophobicContact CD2-CD2 3.79Å; L397-L406 HydrophobicContact CD1-CD2 3.72Å; L397-F421 HydrophobicContact CD1-CE2 3.79Å; L397-F421 HydrophobicContact CD1-CZ 3.94Å; L397-C424 HydrophobicContact CB-CB 4.02Å; L397-N428 WeakPolarHBondContact O-CB 3.43Å; L397-N428 PolarHBondContact O-ND2 3.05Å
398	T	96.9	Very high	97.2	Very high	61 Å²	61	42.3 Å²	42.3	37%	0.374	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-25.4	172.3	65.2	0	0	0	0	113	G394 K395 G396 C424 T427	G394-T398 PolarHBondContact O-N 2.9Å; K395-T398 PolarHBondContact O-N 2.99Å; K395-T398 PolarHBondContact O-OG1 3.04Å; G396-T398 VanDerWaalsContact C-N 3.26Å; G396-T398 PolarHBondContact O-N 2.92Å; T398-C424 HydrophobicContact CG2-CB 3.9Å; T398-T427 WeakPolarHBondContact CB-OG1 3.42Å; T398-T427 WeakPolarHBondContact CG2-OG1 3.35Å
399	R	95.5	Very high	97	Very high	188 Å²	188	35.8 Å²	35.8	71%	0.709	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.2	-30.4	-179	-58	176.3	-174.3	169.1	1.2	112.3	G370 G396 L397	G370-R399 WeakPolarHBondContact O-CB 3.46Å; G396-R399 PolarHBondContact O-N 2.9Å; L397-R399 PolarHBondContact O-N 2.91Å
400	N	97.1	Very high	96.7	Very high	6 Å²	6	38.9 Å²	38.9	3%	0.032	18%	0.182	C	C	.	.			trans	-68.4	131	178	-165.9	-78.4	0	0	0	111.6	L369 N372 G396 H402 L403 N428	L369-N400 WeakPolarHBondContact O-CB 3.32Å; L369-N400 PolarHBondContact O-ND2 3.1Å; N372-N400 PolarHBondContact O-ND2 3.09Å; G396-N400 PolarHBondContact O-N 3.46Å; N400-H402 PolarHBondContact OD1-N 3.49Å; N400-L403 WeakPolarHBondContact OD1-CB 3.3Å; N400-L403 PolarHBondContact OD1-N 2.89Å; N400-N428 PolarHBondContact O-ND2 3.28Å
401	C	95.5	Very high	96.4	Very high	74 Å²	74	39.4 Å²	39.4	50%	0.5	18%	0.184	S	C	.	.	S	Bend	trans	-120.6	12.1	174.8	55.8	0	0	0	0	113.9	K404 S430	C401-K404 PolarHBondContact O-NZ 3.29Å; C401-S430 WeakPolarHBondContact O-CB 3.28Å
402	H	97.6	Very high	95.9	Very high	62 Å²	62	43 Å²	43	29%	0.287	20%	0.195	S	C	.	.			trans	-112.8	-41.3	-173	-64.3	90.6	0	0	0	113.3	T373 L376 N400 K404	T373-H402 WeakPolarHBondContact CA-ND1 3.15Å; T373-H402 PolarHBondContact O-CD2 3.09Å; L376-H402 WeakPolarHBondContact CD2-O 3.34Å; N400-H402 PolarHBondContact OD1-N 3.49Å; H402-K404 WeakPolarHBondContact O-CD 3.34Å; H402-K404 WeakPolarHBondContact O-CE 3.32Å; H402-K404 PolarHBondContact O-N 3.49Å; H402-K404 PolarHBondContact O-NZ 2.9Å
403	L	98.5	Very high	95.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	19%	0.191	C	C	.	.			trans	-60.2	118	-173.8	-165.9	72.7	0	0	0	112.2	L369 L375 L378 L397 N400 L406 S430 L431	L369-L403 HydrophobicContact CD1-CD2 4.41Å; L369-L403 HydrophobicContact CD2-CD2 4.29Å; L375-L403 HydrophobicContact CB-CD1 4.4Å; L375-L403 HydrophobicContact CD2-CD1 4.2Å; L375-L403 HydrophobicContact CG-CD1 4.12Å; L375-L403 VanDerWaalsContact O-CA 3.25Å; L375-L403 WeakPolarHBondContact O-CA 3.32Å; L375-L403 PolarHBondContact O-N 2.94Å; L378-L403 HydrophobicContact CB-CD1 3.97Å; L397-L403 HydrophobicContact CD2-CD2 3.79Å; N400-L403 WeakPolarHBondContact OD1-CB 3.3Å; N400-L403 PolarHBondContact OD1-N 2.89Å; L403-L406 HydrophobicContact CD2-CB 4.07Å; L403-S430 CarbonylContact O-C 3.53Å; L403-S430 WeakPolarHBondContact O-CB 3.42Å; L403-S430 PolarHBondContact O-OG 3.09Å; L403-L431 HydrophobicContact CD2-CD1 4.28Å; L403-L431 HydrophobicContact CG-CD1 4.4Å; L403-L431 VanDerWaalsContact O-CA 3.29Å; L403-L431 WeakPolarHBondContact O-CA 3.48Å; L403-L431 PolarHBondContact O-N 3.15Å
404	K	98.5	Very high	94.8	Very high	75 Å²	75	45 Å²	45	33%	0.326	21%	0.206	S	C	.	.			trans	-61.4	-65.5	168	41.7	-105.9	176.9	-169.3	0	115.7	L376 C401 H402 S430 K432 K433	L376-K404 CarbonylContact O-C 3.41Å; L376-K404 WeakPolarHBondContact O-CA 3.48Å; L376-K404 PolarHBondContact O-N 2.91Å; C401-K404 PolarHBondContact O-NZ 3.29Å; H402-K404 WeakPolarHBondContact O-CD 3.34Å; H402-K404 WeakPolarHBondContact O-CE 3.32Å; H402-K404 PolarHBondContact O-N 3.49Å; H402-K404 PolarHBondContact O-NZ 2.9Å; K404-S430 WeakPolarHBondContact CB-O 3.33Å; K404-S430 WeakPolarHBondContact CD-O 3.28Å; K404-K432 HydrophobicContact CB-CB 4.12Å; K404-K432 HydrophobicContact CB-CD 3.93Å; K404-K432 HydrophobicContact CB-CG 4.17Å; K404-K432 HydrophobicContact CG-CD 4.31Å; K404-K432 PolarHBondContact O-N 3.43Å; K404-K433 PolarHBondContact O-N 3.28Å
405	E	98.7	Very high	94.2	Very high	39 Å²	39	47.4 Å²	47.4	18%	0.182	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	132.7	-165.9	177.1	168.4	166.7	0	0	110.1	L376 Y377 L378 K433	L376-E405 PolarHBondContact O-N 3.38Å; Y377-E405 HydrophobicContact CD2-CB 3.81Å; Y377-E405 HydrophobicContact CD2-CG 3.78Å; Y377-E405 HydrophobicContact CE2-CB 4.42Å; Y377-E405 VanDerWaalsContact CE2-CD 3.42Å; Y377-E405 HydrophobicContact CE2-CG 3.88Å; Y377-E405 WeakPolarHBondContact CE2-OE1 3.15Å; L378-E405 PolarHBondContact N-O 2.86Å; E405-K433 WeakPolarHBondContact CA-O 3.03Å; E405-K433 HydrophobicContact CB-CB 4.19Å; E405-K433 HydrophobicContact CG-CB 4.03Å; E405-K433 HydrophobicContact CG-CD 4.11Å; E405-K433 HydrophobicContact CG-CG 3.99Å; E405-K433 WeakPolarHBondContact OE1-CE 3.45Å; E405-K433 IonicContact OE1-NZ 2.69Å; E405-K433 PolarHBondContact OE1-NZ 3.2Å; E405-K433 WeakPolarHBondContact OE2-CD 3.29Å; E405-K433 WeakPolarHBondContact OE2-CE 3.4Å; E405-K433 IonicContact OE2-NZ 2.62Å; E405-K433 PolarHBondContact OE2-NZ 2.81Å
406	L	98.8	Very high	93.6	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	114.9	174.5	178.1	57	0	0	0	109.6	L378 L380 L393 L397 L403 L408 F421 L431 K433 L434 C435	L378-L406 HydrophobicContact CB-CD1 4.19Å; L378-L406 HydrophobicContact CD2-CD1 4.19Å; L378-L406 HydrophobicContact CG-CD1 4.13Å; L378-L406 WeakPolarHBondContact O-CA 3.45Å; L380-L406 HydrophobicContact CD1-CD1 4.38Å; L393-L406 HydrophobicContact CD2-CD2 4.16Å; L397-L406 HydrophobicContact CD1-CD2 3.72Å; L403-L406 HydrophobicContact CD2-CB 4.07Å; L406-L408 HydrophobicContact CD1-CG 4.21Å; L406-L408 HydrophobicContact CD2-CD1 3.81Å; L406-L408 HydrophobicContact CD2-CG 4.38Å; L406-L408 HydrophobicContact CG-CD1 3.94Å; L406-L408 HydrophobicContact CG-CG 4Å; L406-F421 HydrophobicContact CD2-CZ 4.31Å; L406-L431 HydrophobicContact CB-CD1 3.8Å; L406-K433 PolarHBondContact N-O 3Å; L406-L434 HydrophobicContact CB-CD1 4.45Å; L406-L434 HydrophobicContact CD2-CD1 4.46Å; L406-L434 HydrophobicContact CG-CD1 4.49Å; L406-C435 PolarHBondContact O-N 3.05Å
407	N	98.5	Very high	93.2	Very high	20 Å²	20	49 Å²	49	11%	0.107	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	119.8	173.8	-174	10.1	0	0	0	111.4	L378 D379 L380 S381 K409 C435	L378-N407 PolarHBondContact O-N 2.6Å; D379-N407 HydrophobicContact CB-CB 4.2Å; D379-N407 VanDerWaalsContact CG-ND2 3.28Å; D379-N407 PolarHBondContact OD1-ND2 2.93Å; D379-N407 PolarHBondContact OD2-ND2 2.73Å; L380-N407 CarbonylContact C-O 3.57Å; L380-N407 WeakPolarHBondContact CA-O 3.38Å; L380-N407 PolarHBondContact N-O 3.34Å; S381-N407 PolarHBondContact N-O 2.81Å; N407-K409 WeakPolarHBondContact OD1-CB 3.05Å; N407-K409 WeakPolarHBondContact OD1-CG 3.41Å; N407-K409 PolarHBondContact OD1-N 2.95Å; N407-C435 HydrophobicContact CB-CB 4.27Å; N407-C435 WeakPolarHBondContact OD1-CB 3.3Å
408	L	97.9	Very high	93.1	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.225	C	C	.	.			trans	-127.7	19.8	179.1	-73.6	167.5	0	0	0	111.9	L380 F385 L390 L393 L406 N411 I413 F421 L434 C435 L436 N439	L380-L408 HydrophobicContact CB-CD2 3.94Å; F385-L408 HydrophobicContact CB-CD2 4.49Å; F385-L408 HydrophobicContact CG-CD2 4.29Å; L390-L408 HydrophobicContact CD1-CD1 3.9Å; L393-L408 HydrophobicContact CD2-CD1 3.96Å; L393-L408 HydrophobicContact CD2-CD2 3.96Å; L393-L408 HydrophobicContact CD2-CG 4.5Å; L406-L408 HydrophobicContact CD1-CG 4.21Å; L406-L408 HydrophobicContact CD2-CD1 3.81Å; L406-L408 HydrophobicContact CD2-CG 4.38Å; L406-L408 HydrophobicContact CG-CD1 3.94Å; L406-L408 HydrophobicContact CG-CG 4Å; L408-N411 VanDerWaalsContact C-ND2 3.29Å; L408-N411 WeakPolarHBondContact CA-ND2 3.42Å; L408-N411 PolarHBondContact O-ND2 3.41Å; L408-I413 HydrophobicContact CB-CD1 3.99Å; L408-I413 HydrophobicContact CD1-CD1 4.33Å; L408-F421 HydrophobicContact CD1-CE2 4.32Å; L408-F421 HydrophobicContact CD1-CZ 4.1Å; L408-L434 HydrophobicContact CD1-CD1 4.42Å; L408-C435 CarbonylContact C-O 3.32Å; L408-C435 VanDerWaalsContact C-O 3.27Å; L408-C435 VanDerWaalsContact CA-O 3.3Å; L408-C435 WeakPolarHBondContact CA-O 3.27Å; L408-C435 WeakPolarHBondContact CB-O 3.4Å; L408-C435 PolarHBondContact N-O 3.22Å; L408-L436 HydrophobicContact CB-CD2 3.97Å; L408-L436 HydrophobicContact CD1-CD2 4.24Å; L408-N439 PolarHBondContact O-ND2 2.88Å
409	K	90.4	Very high	92.9	Very high	26 Å²	26	49.5 Å²	49.5	11%	0.113	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	153.7	176.2	-73.8	-172.5	173.8	-175.7	0	112.5	S381 W382 N407 N411 C435 G437 D465 E467	S381-K409 CarbonylContact C-O 3.59Å; S381-K409 WeakPolarHBondContact CA-O 3.36Å; S381-K409 WeakPolarHBondContact CB-O 3.48Å; W382-K409 PolarHBondContact N-O 3.21Å; N407-K409 WeakPolarHBondContact OD1-CB 3.05Å; N407-K409 WeakPolarHBondContact OD1-CG 3.41Å; N407-K409 PolarHBondContact OD1-N 2.95Å; K409-N411 PolarHBondContact O-N 3.04Å; K409-N411 VanDerWaalsContact O-N 3.12Å; K409-N411 PolarHBondContact O-ND2 2.88Å; K409-C435 HydrophobicContact CD-CB 4.46Å; K409-C435 HydrophobicContact CG-CB 3.98Å; K409-C435 PolarHBondContact N-O 2.72Å; K409-G437 CarbonylContact C-O 3.35Å; K409-G437 WeakPolarHBondContact CA-O 3.45Å; K409-G437 WeakPolarHBondContact CB-O 3.37Å; K409-D465 WeakPolarHBondContact CE-OD1 3.48Å; K409-D465 VanDerWaalsContact CE-OD2 3.24Å; K409-D465 WeakPolarHBondContact CE-OD2 3.43Å; K409-D465 IonicContact NZ-OD1 2.63Å; K409-D465 PolarHBondContact NZ-OD1 3.18Å; K409-D465 IonicContact NZ-OD2 2.72Å; K409-D465 PolarHBondContact NZ-OD2 3.02Å; K409-E467 IonicContact NZ-OE2 3.98Å; K409-E467 PolarHBondContact NZ-OE2 3.38Å
410	Y	87.7	Confident	92.9	Very high	83 Å²	83	42.4 Å²	42.4	33%	0.325	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	34.9	174.8	-62.6	-86.4	0	0	0	114.9	W382 G437 F438	W382-Y410 WeakPolarHBondContact CA-O 3.44Å; W382-Y410 AromaticContact CD1-CD2 3.88Å; W382-Y410 VanDerWaalsContact CD2-CB 3.44Å; W382-Y410 HydrophobicContact CD2-CD1 4.37Å; W382-Y410 AromaticContact CD2-CG 3.92Å; W382-Y410 HydrophobicContact CD2-CG 3.92Å; W382-Y410 AromaticContact CE2-CD1 3.57Å; W382-Y410 AromaticContact CE2-CD2 3.62Å; W382-Y410 AromaticContact CE2-CG 3.25Å; W382-Y410 HydrophobicContact CG-CG 4.36Å; W382-Y410 AromaticContact CH2-CD1 3.67Å; W382-Y410 HydrophobicContact CH2-CD1 3.67Å; W382-Y410 HydrophobicContact CH2-CE1 4.12Å; W382-Y410 HydrophobicContact CH2-CG 4.2Å; W382-Y410 AromaticContact CZ2-CD1 3.18Å; W382-Y410 HydrophobicContact CZ2-CD1 3.18Å; W382-Y410 AromaticContact CZ2-CD2 3.97Å; W382-Y410 HydrophobicContact CZ2-CD2 3.97Å; W382-Y410 AromaticContact CZ2-CE1 3.49Å; W382-Y410 HydrophobicContact CZ2-CE1 3.49Å; W382-Y410 VanDerWaalsContact CZ2-CE1 3.49Å; W382-Y410 HydrophobicContact CZ2-CE2 4.24Å; W382-Y410 AromaticContact CZ2-CG 3.44Å; W382-Y410 HydrophobicContact CZ2-CG 3.44Å; W382-Y410 VanDerWaalsContact CZ2-CG 3.44Å; W382-Y410 HydrophobicContact CZ3-CD1 4.43Å; W382-Y410 AromaticContact NE1-CD2 3.16Å; W382-Y410 AromaticContact NE1-CE2 3.78Å; W382-Y410 AromaticContact NE1-CG 3.31Å; W382-Y410 VanDerWaalsContact NE1-CG 3.31Å; Y410-G437 PolarHBondContact N-O 2.81Å; Y410-F438 HydrophobicContact CD1-CB 3.37Å; Y410-F438 HydrophobicContact CD1-CD2 4.43Å; Y410-F438 AromaticContact CD1-CG 3.97Å; Y410-F438 HydrophobicContact CD1-CG 3.97Å; Y410-F438 HydrophobicContact CD2-CB 4.08Å; Y410-F438 HydrophobicContact CD2-CD2 4.03Å; Y410-F438 HydrophobicContact CD2-CG 4.35Å; Y410-F438 HydrophobicContact CE1-CB 3.38Å; Y410-F438 AromaticContact CE1-CD1 3.85Å; Y410-F438 HydrophobicContact CE1-CD1 3.85Å; Y410-F438 AromaticContact CE1-CD2 3.83Å; Y410-F438 HydrophobicContact CE1-CD2 3.83Å; Y410-F438 AromaticContact CE1-CG 3.42Å; Y410-F438 HydrophobicContact CE1-CG 3.42Å; Y410-F438 VanDerWaalsContact CE1-CG 3.42Å; Y410-F438 HydrophobicContact CE2-CB 4.07Å; Y410-F438 AromaticContact CE2-CD2 3.33Å; Y410-F438 HydrophobicContact CE2-CD2 3.33Å; Y410-F438 AromaticContact CE2-CE2 3.88Å; Y410-F438 HydrophobicContact CE2-CE2 3.88Å; Y410-F438 AromaticContact CE2-CG 3.84Å; Y410-F438 HydrophobicContact CE2-CG 3.84Å; Y410-F438 HydrophobicContact CG-CB 3.75Å; Y410-F438 HydrophobicContact CG-CG 4.41Å; Y410-F438 AromaticContact CZ-CD1 3.9Å; Y410-F438 AromaticContact CZ-CD2 3.22Å; Y410-F438 AromaticContact CZ-CE2 3.66Å; Y410-F438 AromaticContact CZ-CG 3.34Å; Y410-F438 WeakPolarHBondContact OH-CD2 3.39Å; Y410-F438 VanDerWaalsContact OH-CE2 3.27Å; Y410-F438 WeakPolarHBondContact OH-CE2 3.34Å; Y410-F438 WeakPolarHBondContact OH-CZ 3.44Å
411	N	90.1	Very high	92.9	Very high	10 Å²	10	42.1 Å²	42.1	5%	0.053	20%	0.201	C	C	.	.	S	Bend	trans	-94.2	-157.5	171.7	-83.9	-64.3	0	0	0	110.1	L380 N383 G384 F385 L408 K409 I413 N439	L380-N411 PolarHBondContact O-ND2 2.77Å; N383-N411 PolarHBondContact N-OD1 3.01Å; N383-N411 VanDerWaalsContact N-OD1 3.13Å; G384-N411 PolarHBondContact N-OD1 3.34Å; F385-N411 HydrophobicContact CB-CB 4.17Å; F385-N411 PolarHBondContact N-OD1 2.95Å; L408-N411 VanDerWaalsContact C-ND2 3.29Å; L408-N411 WeakPolarHBondContact CA-ND2 3.42Å; L408-N411 PolarHBondContact O-ND2 3.41Å; K409-N411 PolarHBondContact O-N 3.04Å; K409-N411 VanDerWaalsContact O-N 3.12Å; K409-N411 PolarHBondContact O-ND2 2.88Å; N411-I413 HydrophobicContact CB-CD1 4.21Å; N411-I413 HydrophobicContact CB-CG1 4Å; N411-N439 WeakPolarHBondContact CA-OD1 3.44Å; N411-N439 WeakPolarHBondContact CB-OD1 3.35Å; N411-N439 PolarHBondContact N-OD1 3.09Å; N411-N439 VanDerWaalsContact N-OD1 3.1Å; N411-N439 PolarHBondContact O-OD1 2.97Å
412	R	86.6	Confident	93	Very high	135 Å²	135	38.7 Å²	38.7	51%	0.509	18%	0.178	S	C	.	.			trans	-117.7	34.5	179.2	-67.9	175.9	179.7	-175.3	-2.2	110.9	F385 N386 D414 N439	F385-R412 CarbonylContact O-C 3.59Å; F385-R412 WeakPolarHBondContact O-CA 3.27Å; F385-R412 PolarHBondContact O-N 3.15Å; N386-R412 HydrophobicContact CB-CB 3.96Å; N386-R412 VanDerWaalsContact CB-O 3.24Å; N386-R412 WeakPolarHBondContact CB-O 3.46Å; R412-D414 PolarHBondContact O-N 3.11Å; R412-N439 PolarHBondContact N-OD1 3.17Å
413	I	88.2	Confident	92.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.186	C	C	.	.			trans	-75.1	107.6	-175.2	-56.2	176.5	0	0	0	109.2	L390 L408 N411 I418 L436 N439 P440 L441	L390-I413 HydrophobicContact CD1-CD1 3.76Å; L390-I413 HydrophobicContact CD1-CG1 4.22Å; L390-I413 HydrophobicContact CD2-CB 4.18Å; L390-I413 HydrophobicContact CD2-CD1 3.9Å; L390-I413 HydrophobicContact CD2-CG1 3.8Å; L390-I413 HydrophobicContact CD2-CG2 3.47Å; L390-I413 VanDerWaalsContact CD2-CG2 3.47Å; L390-I413 HydrophobicContact CG-CD1 4.5Å; L408-I413 HydrophobicContact CB-CD1 3.99Å; L408-I413 HydrophobicContact CD1-CD1 4.33Å; N411-I413 HydrophobicContact CB-CD1 4.21Å; N411-I413 HydrophobicContact CB-CG1 4Å; I413-I418 HydrophobicContact CG2-CB 4.02Å; I413-I418 HydrophobicContact CG2-CD1 4.06Å; I413-L436 HydrophobicContact CD1-CD2 3.56Å; I413-N439 HydrophobicContact CB-CB 4Å; I413-N439 VanDerWaalsContact CB-OD1 3.31Å; I413-N439 WeakPolarHBondContact CB-OD1 3.06Å; I413-N439 VanDerWaalsContact CG1-OD1 3.29Å; I413-N439 WeakPolarHBondContact CG1-OD1 3.42Å; I413-N439 PolarHBondContact N-OD1 2.73Å; I413-N439 VanDerWaalsContact N-OD1 3.07Å; I413-P440 CarbonylContact O-C 3.41Å; I413-P440 VanDerWaalsContact O-CD 3.31Å; I413-P440 WeakPolarHBondContact O-CD 3.24Å; I413-P440 WeakPolarHBondContact O-CG 3.04Å; I413-L441 HydrophobicContact CG2-CD2 3.9Å; I413-L441 HydrophobicContact CG2-CG 4.39Å; I413-L441 PolarHBondContact O-N 2.8Å
414	D	82.9	Confident	92.7	Very high	61 Å²	61	40 Å²	40	33%	0.326	19%	0.187	S	C	.	.			trans	-100.9	-179.2	176.6	71.3	0.3	0	0	0	112	R412 K416 S417 I418	R412-D414 PolarHBondContact O-N 3.11Å; D414-K416 VanDerWaalsContact C-N 3.29Å; D414-K416 PolarHBondContact O-N 3.44Å; D414-K416 PolarHBondContact OD1-N 2.92Å; D414-K416 VanDerWaalsContact OD1-N 3.13Å; D414-S417 WeakPolarHBondContact O-CB 3.43Å; D414-S417 PolarHBondContact O-N 3.48Å; D414-S417 VanDerWaalsContact O-N 3.14Å; D414-S417 VanDerWaalsContact OD1-CB 3.29Å; D414-S417 WeakPolarHBondContact OD1-CB 3.38Å; D414-S417 PolarHBondContact OD1-N 2.93Å; D414-S417 PolarHBondContact OD1-OG 2.85Å; D414-I418 PolarHBondContact O-N 2.73Å
415	L	85.1	Confident	92.7	Very high	51 Å²	51	36.5 Å²	36.5	27%	0.267	17%	0.172	S	C	.	.	H	α-helix	trans	-53.4	-42.6	175.6	178.7	61.7	0	0	0	113	S417 I419 A444 G445	L415-S417 VanDerWaalsContact C-N 3.27Å; L415-S417 PolarHBondContact O-N 3.1Å; L415-I419 HydrophobicContact CD1-CD1 3.8Å; L415-I419 HydrophobicContact CD1-CG1 4.22Å; L415-I419 HydrophobicContact CG-CD1 4.14Å; L415-I419 WeakPolarHBondContact O-CD1 3.2Å; L415-I419 WeakPolarHBondContact O-CG1 3.5Å; L415-A444 HydrophobicContact CD1-CB 4.13Å; L415-G445 VanDerWaalsContact CD1-N 3.35Å
416	K	86.5	Confident	92.5	Very high	137 Å²	137	38.8 Å²	38.8	60%	0.596	18%	0.18	S	C	*	.	H	α-helix	trans	-70.5	-27.5	-178.2	-66	-173.9	177.5	-173.8	0	112.1	D414 P420	D414-K416 VanDerWaalsContact C-N 3.29Å; D414-K416 PolarHBondContact O-N 3.44Å; D414-K416 PolarHBondContact OD1-N 2.92Å; D414-K416 VanDerWaalsContact OD1-N 3.13Å; K416-P420 VanDerWaalsContact O-CD 3.26Å; K416-P420 WeakPolarHBondContact O-CD 3.25Å
417	S	89.6	Confident	92.3	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.007	20%	0.198	C	C	.	.	H	α-helix	trans	-80.8	-42.8	178.8	-50.7	0	0	0	0	112.1	G387 D414 L415 P420 F421	G387-S417 WeakPolarHBondContact CA-OG 3.49Å; G387-S417 PolarHBondContact N-OG 3.24Å; D414-S417 WeakPolarHBondContact O-CB 3.43Å; D414-S417 PolarHBondContact O-N 3.48Å; D414-S417 VanDerWaalsContact O-N 3.14Å; D414-S417 VanDerWaalsContact OD1-CB 3.29Å; D414-S417 WeakPolarHBondContact OD1-CB 3.38Å; D414-S417 PolarHBondContact OD1-N 2.93Å; D414-S417 PolarHBondContact OD1-OG 2.85Å; L415-S417 VanDerWaalsContact C-N 3.27Å; L415-S417 PolarHBondContact O-N 3.1Å; S417-P420 WeakPolarHBondContact O-CD 3.47Å; S417-F421 PolarHBondContact O-N 3.45Å
418	I	94.7	Very high	92.2	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-74.3	-34.5	-170.3	-166	64.2	0	0	0	113.5	I413 D414 F421 A422 L436 L441 L449	I413-I418 HydrophobicContact CG2-CB 4.02Å; I413-I418 HydrophobicContact CG2-CD1 4.06Å; D414-I418 PolarHBondContact O-N 2.73Å; I418-F421 HydrophobicContact CD1-CD1 3.82Å; I418-F421 PolarHBondContact O-N 2.95Å; I418-A422 WeakPolarHBondContact O-CB 3.15Å; I418-A422 PolarHBondContact O-N 2.7Å; I418-L436 HydrophobicContact CD1-CD1 3.74Å; I418-L436 HydrophobicContact CD1-CD2 4.41Å; I418-L441 HydrophobicContact CB-CD2 3.56Å; I418-L441 HydrophobicContact CD1-CD2 4.3Å; I418-L441 HydrophobicContact CG1-CD2 3.77Å; I418-L441 HydrophobicContact CG2-CD2 3.63Å; I418-L449 HydrophobicContact CD1-CD2 4.33Å; I418-L449 HydrophobicContact CG1-CB 4.4Å; I418-L449 HydrophobicContact CG1-CD2 4.47Å
419	I	93.1	Very high	92.1	Very high	71 Å²	71	47.2 Å²	47.2	36%	0.364	22%	0.221	S	C	.	.	H	α-helix	trans	-56.4	-59.8	-179.8	-64.1	168.3	0	0	0	111.2	L415 F421 A422 E448	L415-I419 HydrophobicContact CD1-CD1 3.8Å; L415-I419 HydrophobicContact CD1-CG1 4.22Å; L415-I419 HydrophobicContact CG-CD1 4.14Å; L415-I419 WeakPolarHBondContact O-CD1 3.2Å; L415-I419 WeakPolarHBondContact O-CG1 3.5Å; I419-F421 PolarHBondContact O-N 3.3Å; I419-A422 WeakPolarHBondContact O-CB 3.17Å; I419-A422 PolarHBondContact O-N 3.28Å; I419-A422 VanDerWaalsContact O-N 3.13Å; I419-E448 HydrophobicContact CG1-CB 4.48Å; I419-E448 HydrophobicContact CG1-CG 4.2Å
420	P	94.5	Very high	92.4	Very high	40 Å²	40	46 Å²	46	26%	0.26	22%	0.215	S	C	.	.	H	α-helix	trans	-71.6	-13.8	179.7	31.5	-38.7	0	0	0	113.8	E391 K416 S417	E391-P420 HydrophobicContact CB-CB 4.47Å; E391-P420 HydrophobicContact CB-CG 4.36Å; E391-P420 HydrophobicContact CG-CB 4.12Å; E391-P420 HydrophobicContact CG-CG 4.49Å; K416-P420 VanDerWaalsContact O-CD 3.26Å; K416-P420 WeakPolarHBondContact O-CD 3.25Å; S417-P420 WeakPolarHBondContact O-CD 3.47Å
421	F	97.3	Very high	92.9	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-76.4	-41.1	169.1	174	-93	0	0	0	111.5	L390 L393 L397 L406 L408 S417 I418 I419 D423 C424 L434	L390-F421 HydrophobicContact CD1-CD2 3.88Å; L390-F421 HydrophobicContact CD1-CE2 4.14Å; L390-F421 HydrophobicContact CD1-CG 4.37Å; L390-F421 HydrophobicContact CD2-CB 3.85Å; L390-F421 HydrophobicContact CD2-CD2 4.33Å; L390-F421 HydrophobicContact CD2-CG 4.05Å; L390-F421 HydrophobicContact CG-CB 3.92Å; L390-F421 HydrophobicContact CG-CD2 3.69Å; L390-F421 HydrophobicContact CG-CE2 4.44Å; L390-F421 HydrophobicContact CG-CG 3.91Å; L390-F421 WeakPolarHBondContact O-CD2 3.49Å; L393-F421 HydrophobicContact CD2-CE2 4.39Å; L397-F421 HydrophobicContact CD1-CE2 3.79Å; L397-F421 HydrophobicContact CD1-CZ 3.94Å; L406-F421 HydrophobicContact CD2-CZ 4.31Å; L408-F421 HydrophobicContact CD1-CE2 4.32Å; L408-F421 HydrophobicContact CD1-CZ 4.1Å; S417-F421 PolarHBondContact O-N 3.45Å; I418-F421 HydrophobicContact CD1-CD1 3.82Å; I418-F421 PolarHBondContact O-N 2.95Å; I419-F421 PolarHBondContact O-N 3.3Å; F421-D423 PolarHBondContact O-N 2.99Å; F421-C424 PolarHBondContact O-N 3.13Å; F421-C424 VanDerWaalsContact O-N 3.12Å; F421-C424 PolarHBondContact O-SG 3.45Å; F421-L434 HydrophobicContact CE1-CD1 4.22Å; F421-L434 HydrophobicContact CE1-CD2 3.99Å; F421-L434 HydrophobicContact CZ-CD1 4.13Å
422	A	97.1	Very high	93.3	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.008	21%	0.214	C	C	.	.	H	α-helix	trans	-59	-32.8	-177.3	0	0	0	0	0	112.1	I418 I419 C424 L425 L449 V452	I418-A422 WeakPolarHBondContact O-CB 3.15Å; I418-A422 PolarHBondContact O-N 2.7Å; I419-A422 WeakPolarHBondContact O-CB 3.17Å; I419-A422 PolarHBondContact O-N 3.28Å; I419-A422 VanDerWaalsContact O-N 3.13Å; A422-C424 PolarHBondContact O-N 2.89Å; A422-L425 WeakPolarHBondContact O-CB 3.42Å; A422-L425 PolarHBondContact O-N 3.13Å; A422-L449 HydrophobicContact CB-CD1 3.83Å; A422-V452 HydrophobicContact CB-CB 4.39Å; A422-V452 HydrophobicContact CB-CG2 3.99Å; A422-V452 WeakPolarHBondContact O-CG1 3.46Å
423	D	95.4	Very high	93.8	Very high	88 Å²	88	41.1 Å²	41.1	47%	0.471	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-50	-29	175.6	-71.8	-26.2	0	0	0	113.9	F421 L425 Y426	F421-D423 PolarHBondContact O-N 2.99Å; D423-L425 PolarHBondContact O-N 3.36Å; D423-Y426 WeakPolarHBondContact O-CB 3.4Å; D423-Y426 PolarHBondContact O-N 2.96Å; D423-Y426 VanDerWaalsContact O-N 3.14Å
424	C	96.2	Very high	94.3	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.007	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-62.7	-27.1	178	76.9	0	0	0	0	113.3	G394 L397 T398 F421 A422 Y426 T427 N428	G394-C424 WeakPolarHBondContact O-CB 3.25Å; L397-C424 HydrophobicContact CB-CB 4.02Å; T398-C424 HydrophobicContact CG2-CB 3.9Å; F421-C424 PolarHBondContact O-N 3.13Å; F421-C424 VanDerWaalsContact O-N 3.12Å; F421-C424 PolarHBondContact O-SG 3.45Å; A422-C424 PolarHBondContact O-N 2.89Å; C424-Y426 PolarHBondContact O-N 2.93Å; C424-T427 PolarHBondContact O-N 3.42Å; C424-T427 VanDerWaalsContact O-N 3.14Å; C424-T427 PolarHBondContact O-OG1 2.96Å; C424-N428 WeakPolarHBondContact O-CB 3.1Å; C424-N428 PolarHBondContact O-N 2.93Å
425	L	97.1	Very high	95.1	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.016	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-74	-9.9	179.9	-56.2	178.1	0	0	0	112.9	A422 D423 T427 L431 L434 L449 V452 I453 S456 C459	A422-L425 WeakPolarHBondContact O-CB 3.42Å; A422-L425 PolarHBondContact O-N 3.13Å; D423-L425 PolarHBondContact O-N 3.36Å; L425-T427 VanDerWaalsContact C-N 3.25Å; L425-T427 PolarHBondContact O-N 3.49Å; L425-L431 HydrophobicContact CD2-CD2 4.23Å; L425-L434 HydrophobicContact CD1-CD2 4.48Å; L425-L449 HydrophobicContact CD1-CD1 3.75Å; L425-V452 HydrophobicContact CB-CG1 4Å; L425-I453 HydrophobicContact CD1-CD1 4.11Å; L425-I453 HydrophobicContact CD1-CG1 3.72Å; L425-S456 WeakPolarHBondContact O-CB 3.35Å; L425-S456 PolarHBondContact O-OG 3.03Å; L425-C459 WeakPolarHBondContact O-CB 3.11Å
426	Y	95.8	Very high	95.6	Very high	87 Å²	87	36 Å²	36	34%	0.341	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-71	-19.8	167.9	-74.3	-61.9	0	0	0	113.5	D423 C424 V452 S456	D423-Y426 WeakPolarHBondContact O-CB 3.4Å; D423-Y426 PolarHBondContact O-N 2.96Å; D423-Y426 VanDerWaalsContact O-N 3.14Å; C424-Y426 PolarHBondContact O-N 2.93Å; Y426-V452 HydrophobicContact CD1-CG1 4.12Å; Y426-V452 HydrophobicContact CD2-CG1 3.84Å; Y426-V452 HydrophobicContact CE1-CG1 3.93Å; Y426-V452 HydrophobicContact CE2-CB 4.28Å; Y426-V452 HydrophobicContact CE2-CG1 3.63Å; Y426-V452 HydrophobicContact CE2-CG2 3.79Å; Y426-V452 HydrophobicContact CG-CG1 4.07Å; Y426-S456 WeakPolarHBondContact CA-OG 3.49Å
427	T	94.1	Very high	95.6	Very high	62 Å²	62	29.5 Å²	29.5	38%	0.38	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.4	-28.3	-171	54.5	0	0	0	0	114.2	T398 C424 L425 K429	T398-T427 WeakPolarHBondContact CB-OG1 3.42Å; T398-T427 WeakPolarHBondContact CG2-OG1 3.35Å; C424-T427 PolarHBondContact O-N 3.42Å; C424-T427 VanDerWaalsContact O-N 3.14Å; C424-T427 PolarHBondContact O-OG1 2.96Å; L425-T427 VanDerWaalsContact C-N 3.25Å; L425-T427 PolarHBondContact O-N 3.49Å; T427-K429 PolarHBondContact O-N 3.47Å
428	N	96.5	Very high	95.3	Very high	5 Å²	5	32.2 Å²	32.2	3%	0.027	16%	0.156	C	C	.	.			trans	-67.9	127.4	178.1	-176.5	-79.8	0	0	0	111.3	L397 N400 C424 S430 L431	L397-N428 WeakPolarHBondContact O-CB 3.43Å; L397-N428 PolarHBondContact O-ND2 3.05Å; N400-N428 PolarHBondContact O-ND2 3.28Å; C424-N428 WeakPolarHBondContact O-CB 3.1Å; C424-N428 PolarHBondContact O-N 2.93Å; N428-S430 PolarHBondContact ND2-OG 2.87Å; N428-S430 PolarHBondContact OD1-N 2.97Å; N428-S430 PolarHBondContact OD1-OG 3.18Å; N428-L431 VanDerWaalsContact OD1-CB 3.27Å; N428-L431 WeakPolarHBondContact OD1-CB 3.32Å; N428-L431 PolarHBondContact OD1-N 2.99Å
429	K	94.7	Very high	94.8	Very high	129 Å²	129	32.7 Å²	32.7	56%	0.561	16%	0.158	S	C	*	.	S	Bend	trans	-115.1	19.3	-178.9	-61.7	175.2	-171.8	174	0	113	T427 Q458 I460	T427-K429 PolarHBondContact O-N 3.47Å; K429-Q458 HydrophobicContact CG-CB 4.26Å; K429-I460 WeakPolarHBondContact O-CD1 3.49Å
430	S	96.8	Very high	94.2	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	-123.9	-38.3	-173.1	71.9	0	0	0	0	113.7	C401 L403 K404 N428 K432	C401-S430 WeakPolarHBondContact O-CB 3.28Å; L403-S430 CarbonylContact O-C 3.53Å; L403-S430 WeakPolarHBondContact O-CB 3.42Å; L403-S430 PolarHBondContact O-OG 3.09Å; K404-S430 WeakPolarHBondContact CB-O 3.33Å; K404-S430 WeakPolarHBondContact CD-O 3.28Å; N428-S430 PolarHBondContact ND2-OG 2.87Å; N428-S430 PolarHBondContact OD1-N 2.97Å; N428-S430 PolarHBondContact OD1-OG 3.18Å; S430-K432 PolarHBondContact O-N 3.49Å; S430-K432 VanDerWaalsContact O-N 3.09Å
431	L	98.2	Very high	93.5	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	15%	0.15	C	C	.	.			trans	-70.6	107.3	-172.1	-167.4	70.9	0	0	0	109.5	L403 L406 L425 N428 K433 L434 L461	L403-L431 HydrophobicContact CD2-CD1 4.28Å; L403-L431 HydrophobicContact CG-CD1 4.4Å; L403-L431 VanDerWaalsContact O-CA 3.29Å; L403-L431 WeakPolarHBondContact O-CA 3.48Å; L403-L431 PolarHBondContact O-N 3.15Å; L406-L431 HydrophobicContact CB-CD1 3.8Å; L425-L431 HydrophobicContact CD2-CD2 4.23Å; N428-L431 VanDerWaalsContact OD1-CB 3.27Å; N428-L431 WeakPolarHBondContact OD1-CB 3.32Å; N428-L431 PolarHBondContact OD1-N 2.99Å; L431-K433 WeakPolarHBondContact CD1-O 3.42Å; L431-L434 HydrophobicContact CD2-CB 4.17Å; L431-L434 HydrophobicContact CD2-CD1 4.43Å; L431-L461 HydrophobicContact CD2-CD1 4.26Å; L431-L461 HydrophobicContact CG-CD1 4.09Å; L431-L461 WeakPolarHBondContact O-CA 3.41Å
432	K	98.3	Very high	92.5	Very high	78 Å²	78	32.4 Å²	32.4	34%	0.339	16%	0.16	S	C	.	.			trans	-88	-31.5	176.2	-75	169.4	161.6	-83.7	0	111.7	K404 S430 I460 L461 E462 E463	K404-K432 HydrophobicContact CB-CB 4.12Å; K404-K432 HydrophobicContact CB-CD 3.93Å; K404-K432 HydrophobicContact CB-CG 4.17Å; K404-K432 HydrophobicContact CG-CD 4.31Å; K404-K432 PolarHBondContact O-N 3.43Å; S430-K432 PolarHBondContact O-N 3.49Å; S430-K432 VanDerWaalsContact O-N 3.09Å; K432-I460 HydrophobicContact CG-CD1 4.17Å; K432-L461 CarbonylContact O-C 3.55Å; K432-E462 IonicContact NZ-OE1 3.39Å; K432-E462 PolarHBondContact NZ-OE1 2.69Å; K432-E462 IonicContact NZ-OE2 2.67Å; K432-E462 PolarHBondContact NZ-OE2 2.98Å; K432-E462 WeakPolarHBondContact O-CA 3.25Å; K432-E462 PolarHBondContact O-N 3.05Å; K432-E463 PolarHBondContact O-N 3.11Å
433	K	98.6	Very high	91.7	Very high	48 Å²	48	34.4 Å²	34.4	21%	0.209	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	132.2	-176.2	-179.7	168.8	155.5	-150.2	0	113	K404 E405 L406 L431 C435 E463	K404-K433 PolarHBondContact O-N 3.28Å; E405-K433 WeakPolarHBondContact CA-O 3.03Å; E405-K433 HydrophobicContact CB-CB 4.19Å; E405-K433 HydrophobicContact CG-CB 4.03Å; E405-K433 HydrophobicContact CG-CD 4.11Å; E405-K433 HydrophobicContact CG-CG 3.99Å; E405-K433 WeakPolarHBondContact OE1-CE 3.45Å; E405-K433 IonicContact OE1-NZ 2.69Å; E405-K433 PolarHBondContact OE1-NZ 3.2Å; E405-K433 WeakPolarHBondContact OE2-CD 3.29Å; E405-K433 WeakPolarHBondContact OE2-CE 3.4Å; E405-K433 IonicContact OE2-NZ 2.62Å; E405-K433 PolarHBondContact OE2-NZ 2.81Å; L406-K433 PolarHBondContact N-O 3Å; L431-K433 WeakPolarHBondContact CD1-O 3.42Å; K433-C435 VanDerWaalsContact CE-SG 3.59Å; K433-E463 WeakPolarHBondContact CA-O 3.37Å; K433-E463 HydrophobicContact CB-CB 4.25Å; K433-E463 HydrophobicContact CD-CB 4.29Å; K433-E463 HydrophobicContact CD-CG 4.34Å; K433-E463 VanDerWaalsContact CD-OE1 3.24Å; K433-E463 WeakPolarHBondContact CD-OE1 3.32Å; K433-E463 WeakPolarHBondContact CE-OE1 3.47Å; K433-E463 HydrophobicContact CG-CB 4.01Å; K433-E463 HydrophobicContact CG-CG 4.25Å
434	L	98.6	Very high	90.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	120.7	-179.2	174.7	59.7	0	0	0	109.3	L406 L408 F421 L425 L431 L436 L461 E463 L464 D465	L406-L434 HydrophobicContact CB-CD1 4.45Å; L406-L434 HydrophobicContact CD2-CD1 4.46Å; L406-L434 HydrophobicContact CG-CD1 4.49Å; L408-L434 HydrophobicContact CD1-CD1 4.42Å; F421-L434 HydrophobicContact CE1-CD1 4.22Å; F421-L434 HydrophobicContact CE1-CD2 3.99Å; F421-L434 HydrophobicContact CZ-CD1 4.13Å; L425-L434 HydrophobicContact CD1-CD2 4.48Å; L431-L434 HydrophobicContact CD2-CB 4.17Å; L431-L434 HydrophobicContact CD2-CD1 4.43Å; L434-L436 HydrophobicContact CD1-CD1 4.43Å; L434-L436 HydrophobicContact CD1-CD2 4.43Å; L434-L436 HydrophobicContact CD1-CG 4.14Å; L434-L436 HydrophobicContact CD2-CD1 3.9Å; L434-L436 HydrophobicContact CD2-CG 4.46Å; L434-L436 HydrophobicContact CG-CD1 4.02Å; L434-L436 HydrophobicContact CG-CG 4.04Å; L434-L461 HydrophobicContact CB-CD1 3.67Å; L434-L461 HydrophobicContact CB-CD2 4.24Å; L434-E463 PolarHBondContact N-O 2.79Å; L434-L464 HydrophobicContact CB-CD1 4.14Å; L434-L464 HydrophobicContact CD2-CD1 4Å; L434-L464 HydrophobicContact CG-CD1 4.01Å; L434-L464 WeakPolarHBondContact O-CA 3.24Å; L434-D465 PolarHBondContact O-N 3.26Å
435	C	98	Very high	90.4	Very high	5 Å²	5	32.7 Å²	32.7	3%	0.034	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	113.8	-178.9	-52	0	0	0	0	110.8	L406 N407 L408 K409 K433 D465	L406-C435 PolarHBondContact O-N 3.05Å; N407-C435 HydrophobicContact CB-CB 4.27Å; N407-C435 WeakPolarHBondContact OD1-CB 3.3Å; L408-C435 CarbonylContact C-O 3.32Å; L408-C435 VanDerWaalsContact C-O 3.27Å; L408-C435 VanDerWaalsContact CA-O 3.3Å; L408-C435 WeakPolarHBondContact CA-O 3.27Å; L408-C435 WeakPolarHBondContact CB-O 3.4Å; L408-C435 PolarHBondContact N-O 3.22Å; K409-C435 HydrophobicContact CD-CB 4.46Å; K409-C435 HydrophobicContact CG-CB 3.98Å; K409-C435 PolarHBondContact N-O 2.72Å; K433-C435 VanDerWaalsContact CE-SG 3.59Å; C435-D465 HydrophobicContact CB-CB 4.11Å
436	L	96	Very high	90	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.167	C	C	.	.			trans	-122.8	1.5	-176.7	-70.9	170.6	0	0	0	113.7	L408 I413 I418 L434 N439 L441 L449 L464 D465 L466	L408-L436 HydrophobicContact CB-CD2 3.97Å; L408-L436 HydrophobicContact CD1-CD2 4.24Å; I413-L436 HydrophobicContact CD1-CD2 3.56Å; I418-L436 HydrophobicContact CD1-CD1 3.74Å; I418-L436 HydrophobicContact CD1-CD2 4.41Å; L434-L436 HydrophobicContact CD1-CD1 4.43Å; L434-L436 HydrophobicContact CD1-CD2 4.43Å; L434-L436 HydrophobicContact CD1-CG 4.14Å; L434-L436 HydrophobicContact CD2-CD1 3.9Å; L434-L436 HydrophobicContact CD2-CG 4.46Å; L434-L436 HydrophobicContact CG-CD1 4.02Å; L434-L436 HydrophobicContact CG-CG 4.04Å; L436-N439 WeakPolarHBondContact O-CB 3.12Å; L436-N439 PolarHBondContact O-ND2 3.21Å; L436-L441 HydrophobicContact CB-CD1 4.01Å; L436-L449 HydrophobicContact CD1-CD2 3.51Å; L436-L464 HydrophobicContact CD1-CD1 4.27Å; L436-D465 PolarHBondContact N-O 3.19Å; L436-L466 HydrophobicContact CB-CD2 4.1Å
437	G	88	Confident	89.7	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.4	151	176.3	0	0	0	0	0	115.3	K409 Y410 N439 D465 E467	K409-G437 CarbonylContact C-O 3.35Å; K409-G437 WeakPolarHBondContact CA-O 3.45Å; K409-G437 WeakPolarHBondContact CB-O 3.37Å; Y410-G437 PolarHBondContact N-O 2.81Å; G437-N439 PolarHBondContact O-N 3.36Å; G437-N439 PolarHBondContact O-ND2 2.93Å; G437-D465 PolarHBondContact N-O 2.82Å; G437-E467 CarbonylContact C-O 3.59Å; G437-E467 WeakPolarHBondContact CA-O 3.49Å
438	F	82.5	Confident	89.6	Confident	57 Å²	57	32.5 Å²	32.5	25%	0.25	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	28.6	-178.4	-51.3	-83.6	0	0	0	115.8	Y410 E467 K494	Y410-F438 HydrophobicContact CD1-CB 3.37Å; Y410-F438 HydrophobicContact CD1-CD2 4.43Å; Y410-F438 AromaticContact CD1-CG 3.97Å; Y410-F438 HydrophobicContact CD1-CG 3.97Å; Y410-F438 HydrophobicContact CD2-CB 4.08Å; Y410-F438 HydrophobicContact CD2-CD2 4.03Å; Y410-F438 HydrophobicContact CD2-CG 4.35Å; Y410-F438 HydrophobicContact CE1-CB 3.38Å; Y410-F438 AromaticContact CE1-CD1 3.85Å; Y410-F438 HydrophobicContact CE1-CD1 3.85Å; Y410-F438 AromaticContact CE1-CD2 3.83Å; Y410-F438 HydrophobicContact CE1-CD2 3.83Å; Y410-F438 AromaticContact CE1-CG 3.42Å; Y410-F438 HydrophobicContact CE1-CG 3.42Å; Y410-F438 VanDerWaalsContact CE1-CG 3.42Å; Y410-F438 HydrophobicContact CE2-CB 4.07Å; Y410-F438 AromaticContact CE2-CD2 3.33Å; Y410-F438 HydrophobicContact CE2-CD2 3.33Å; Y410-F438 AromaticContact CE2-CE2 3.88Å; Y410-F438 HydrophobicContact CE2-CE2 3.88Å; Y410-F438 AromaticContact CE2-CG 3.84Å; Y410-F438 HydrophobicContact CE2-CG 3.84Å; Y410-F438 HydrophobicContact CG-CB 3.75Å; Y410-F438 HydrophobicContact CG-CG 4.41Å; Y410-F438 AromaticContact CZ-CD1 3.9Å; Y410-F438 AromaticContact CZ-CD2 3.22Å; Y410-F438 AromaticContact CZ-CE2 3.66Å; Y410-F438 AromaticContact CZ-CG 3.34Å; Y410-F438 WeakPolarHBondContact OH-CD2 3.39Å; Y410-F438 VanDerWaalsContact OH-CE2 3.27Å; Y410-F438 WeakPolarHBondContact OH-CE2 3.34Å; Y410-F438 WeakPolarHBondContact OH-CZ 3.44Å; F438-E467 HydrophobicContact CD2-CB 4.4Å; F438-E467 HydrophobicContact CE2-CB 3.8Å; F438-E467 HydrophobicContact CE2-CG 3.57Å; F438-E467 HydrophobicContact CZ-CB 4.33Å; F438-E467 HydrophobicContact CZ-CG 3.72Å; F438-E467 PolarHBondContact N-O 2.9Å; F438-K494 HydrophobicContact CZ-CD 4.33Å
439	N	83.8	Confident	89.6	Confident	10 Å²	10	32.3 Å²	32.3	5%	0.053	16%	0.164	C	C	.	.	S	Bend	trans	-93.9	159.5	165.5	-81.1	-83.8	0	0	0	111.3	L408 N411 R412 I413 L436 G437 L441 L469	L408-N439 PolarHBondContact O-ND2 2.88Å; N411-N439 WeakPolarHBondContact CA-OD1 3.44Å; N411-N439 WeakPolarHBondContact CB-OD1 3.35Å; N411-N439 PolarHBondContact N-OD1 3.09Å; N411-N439 VanDerWaalsContact N-OD1 3.1Å; N411-N439 PolarHBondContact O-OD1 2.97Å; R412-N439 PolarHBondContact N-OD1 3.17Å; I413-N439 HydrophobicContact CB-CB 4Å; I413-N439 VanDerWaalsContact CB-OD1 3.31Å; I413-N439 WeakPolarHBondContact CB-OD1 3.06Å; I413-N439 VanDerWaalsContact CG1-OD1 3.29Å; I413-N439 WeakPolarHBondContact CG1-OD1 3.42Å; I413-N439 PolarHBondContact N-OD1 2.73Å; I413-N439 VanDerWaalsContact N-OD1 3.07Å; L436-N439 WeakPolarHBondContact O-CB 3.12Å; L436-N439 PolarHBondContact O-ND2 3.21Å; G437-N439 PolarHBondContact O-N 3.36Å; G437-N439 PolarHBondContact O-ND2 2.93Å; N439-L441 HydrophobicContact CB-CD1 4.16Å; N439-L441 HydrophobicContact CB-CG 4.02Å; N439-L441 PolarHBondContact O-N 3.34Å; N439-L469 WeakPolarHBondContact O-CD2 3.5Å
440	P	80	Confident	89.6	Confident	58 Å²	58	26.1 Å²	26.1	38%	0.377	14%	0.137	S	C	.	.			trans	-74.2	47.7	173.5	32.7	-36.2	0	0	0	113	I413	I413-P440 CarbonylContact O-C 3.41Å; I413-P440 VanDerWaalsContact O-CD 3.31Å; I413-P440 WeakPolarHBondContact O-CD 3.24Å; I413-P440 WeakPolarHBondContact O-CG 3.04Å
441	L	79.8	Confident	89.6	Confident	15 Å²	15	30.9 Å²	30.9	8%	0.079	16%	0.156	C	C	.	.			trans	-79.4	124	178	-77.6	171.9	0	0	0	110.6	I413 I418 L436 N439 I446 L469	I413-L441 HydrophobicContact CG2-CD2 3.9Å; I413-L441 HydrophobicContact CG2-CG 4.39Å; I413-L441 PolarHBondContact O-N 2.8Å; I418-L441 HydrophobicContact CB-CD2 3.56Å; I418-L441 HydrophobicContact CD1-CD2 4.3Å; I418-L441 HydrophobicContact CG1-CD2 3.77Å; I418-L441 HydrophobicContact CG2-CD2 3.63Å; L436-L441 HydrophobicContact CB-CD1 4.01Å; N439-L441 HydrophobicContact CB-CD1 4.16Å; N439-L441 HydrophobicContact CB-CG 4.02Å; N439-L441 PolarHBondContact O-N 3.34Å; L441-I446 HydrophobicContact CB-CD1 4.45Å; L441-I446 HydrophobicContact CB-CG1 4.14Å; L441-L469 HydrophobicContact CB-CD1 4.03Å; L441-L469 HydrophobicContact CB-CD2 4.31Å; L441-L469 HydrophobicContact CD1-CD1 3.7Å; L441-L469 HydrophobicContact CG-CD1 4.46Å
442	T	77.2	Confident	89.5	Confident	32 Å²	32	31 Å²	31	20%	0.196	16%	0.157	C	C	.	.			trans	-81.4	161	173.9	66.6	0	0	0	0	111.2	A444 G445 I446 L531	T442-A444 PolarHBondContact O-N 3.19Å; T442-G445 PolarHBondContact O-N 3.16Å; T442-G445 PolarHBondContact OG1-N 3.31Å; T442-I446 PolarHBondContact O-N 3.14Å; T442-L531 HydrophobicContact CG2-CD1 4.42Å
443	M	79.7	Confident	89.4	Confident	44 Å²	44	27.4 Å²	27.4	22%	0.217	14%	0.141	C	C	.	.	H	α-helix	trans	-51.2	-39.6	175.1	-163	71.2	68	0	0	112.5	I446 H447 T470 S472 I475	M443-I446 PolarHBondContact O-N 3.33Å; M443-H447 WeakPolarHBondContact O-CB 3.33Å; M443-H447 PolarHBondContact O-N 3.18Å; M443-T470 HydrophobicContact CE-CG2 3.79Å; M443-S472 VanDerWaalsContact SD-CB 3.52Å; M443-S472 PolarHBondContact SD-N 3.39Å; M443-S472 VanDerWaalsContact SD-N 3.38Å; M443-S472 PolarHBondContact SD-OG 2.89Å; M443-I475 HydrophobicContact CG-CD1 4.14Å; M443-I475 HydrophobicContact SD-CD1 3.34Å; M443-I475 WeakPolarHBondContact SD-CD1 3.16Å; M443-I475 HydrophobicContact SD-CG1 4.45Å
444	A	79.2	Confident	89.3	Confident	53 Å²	53	26.4 Å²	26.4	44%	0.438	14%	0.137	S	C	.	.	H	α-helix	trans	-64.4	-39.7	176.6	0	0	0	0	0	112.6	L415 T442 H447 E448	L415-A444 HydrophobicContact CD1-CB 4.13Å; T442-A444 PolarHBondContact O-N 3.19Å; A444-H447 PolarHBondContact O-N 3.48Å; A444-E448 PolarHBondContact O-N 3.09Å
445	G	85.5	Confident	89.1	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-71.2	-34.2	179.3	0	0	0	0	0	112.6	L415 T442 L449	L415-G445 VanDerWaalsContact CD1-N 3.35Å; T442-G445 PolarHBondContact O-N 3.16Å; T442-G445 PolarHBondContact OG1-N 3.31Å; G445-L449 WeakPolarHBondContact O-CB 3.46Å; G445-L449 PolarHBondContact O-N 2.85Å; G445-L449 VanDerWaalsContact O-N 3.07Å
446	I	89.2	Confident	88.9	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-70.7	-43.8	172.8	-56.6	170.1	0	0	0	110.2	L441 T442 M443 E448 L449 I450 L466 L469 I471 I475	L441-I446 HydrophobicContact CB-CD1 4.45Å; L441-I446 HydrophobicContact CB-CG1 4.14Å; T442-I446 PolarHBondContact O-N 3.14Å; M443-I446 PolarHBondContact O-N 3.33Å; I446-E448 VanDerWaalsContact C-N 3.31Å; I446-E448 PolarHBondContact O-N 2.79Å; I446-L449 PolarHBondContact O-N 3.06Å; I446-I450 HydrophobicContact CG2-CG1 4.14Å; I446-I450 WeakPolarHBondContact O-CB 3.5Å; I446-I450 WeakPolarHBondContact O-CG1 3.36Å; I446-I450 PolarHBondContact O-N 2.78Å; I446-L466 HydrophobicContact CG2-CD1 3.44Å; I446-L466 VanDerWaalsContact CG2-CD1 3.44Å; I446-L469 HydrophobicContact CD1-CB 4.01Å; I446-L469 HydrophobicContact CD1-CD1 3.91Å; I446-L469 HydrophobicContact CG1-CD1 4.42Å; I446-I471 HydrophobicContact CD1-CD1 3.89Å; I446-I471 HydrophobicContact CG2-CD1 4.25Å; I446-I475 HydrophobicContact CB-CD1 3.91Å; I446-I475 HydrophobicContact CG2-CD1 3.71Å; I446-I475 HydrophobicContact CG2-CG1 4.46Å; I446-I475 HydrophobicContact CG2-CG2 4.19Å
447	H	88.9	Confident	88.5	Confident	80 Å²	80	36.4 Å²	36.4	37%	0.37	20%	0.201	S	C	.	.	H	α-helix	trans	-57	-43.9	175.1	176.7	-80.3	0	0	0	111.8	M443 A444 I450 Y451 Q478	M443-H447 WeakPolarHBondContact O-CB 3.33Å; M443-H447 PolarHBondContact O-N 3.18Å; A444-H447 PolarHBondContact O-N 3.48Å; H447-I450 PolarHBondContact O-N 3.09Å; H447-Y451 VanDerWaalsContact O-CB 3.24Å; H447-Y451 WeakPolarHBondContact O-CB 3.44Å; H447-Y451 PolarHBondContact O-N 2.9Å; H447-Q478 PolarHBondContact CD2-OE1 2.71Å; H447-Q478 PolarHBondContact O-NE2 3.09Å
448	E	91.9	Very high	88.6	Confident	66 Å²	66	40.2 Å²	40.2	31%	0.308	22%	0.219	S	C	.	.	H	α-helix	trans	-65.4	-46.5	177.8	-162.8	59.7	-145.1	0	0	111.9	I419 A444 I446 I450 Y451 V452	I419-E448 HydrophobicContact CG1-CB 4.48Å; I419-E448 HydrophobicContact CG1-CG 4.2Å; A444-E448 PolarHBondContact O-N 3.09Å; I446-E448 VanDerWaalsContact C-N 3.31Å; I446-E448 PolarHBondContact O-N 2.79Å; E448-I450 VanDerWaalsContact C-N 3.32Å; E448-I450 PolarHBondContact O-N 2.99Å; E448-Y451 WeakPolarHBondContact O-CB 3.45Å; E448-Y451 PolarHBondContact O-N 2.81Å; E448-Y451 VanDerWaalsContact O-N 3.16Å; E448-V452 WeakPolarHBondContact O-CG2 3.5Å; E448-V452 PolarHBondContact O-N 2.98Å
449	L	96	Very high	89.1	Confident	1 Å²	1	37.8 Å²	37.8	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-56.8	-45.6	175.3	176.6	65.4	0	0	0	111.9	I418 A422 L425 L436 G445 I446 V452 I453 L464	I418-L449 HydrophobicContact CD1-CD2 4.33Å; I418-L449 HydrophobicContact CG1-CB 4.4Å; I418-L449 HydrophobicContact CG1-CD2 4.47Å; A422-L449 HydrophobicContact CB-CD1 3.83Å; L425-L449 HydrophobicContact CD1-CD1 3.75Å; L436-L449 HydrophobicContact CD1-CD2 3.51Å; G445-L449 WeakPolarHBondContact O-CB 3.46Å; G445-L449 PolarHBondContact O-N 2.85Å; G445-L449 VanDerWaalsContact O-N 3.07Å; I446-L449 PolarHBondContact O-N 3.06Å; L449-V452 PolarHBondContact O-N 2.84Å; L449-I453 HydrophobicContact CD1-CD1 4.26Å; L449-I453 HydrophobicContact CG-CD1 4.07Å; L449-I453 WeakPolarHBondContact O-CD1 3.37Å; L449-I453 VanDerWaalsContact O-CG1 3.29Å; L449-I453 WeakPolarHBondContact O-CG1 3.19Å; L449-I453 PolarHBondContact O-N 3.36Å; L449-I453 VanDerWaalsContact O-N 3.11Å; L449-L464 HydrophobicContact CD2-CD1 4.07Å; L449-L464 HydrophobicContact CD2-CD2 4.07Å
450	I	96.3	Very high	89.6	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-68.9	-36.6	178.2	-64.7	-71.6	0	0	0	111.1	I446 H447 E448 V452 I453 E454 L464 I475 Q478 V479 I482 F488 L490	I446-I450 HydrophobicContact CG2-CG1 4.14Å; I446-I450 WeakPolarHBondContact O-CB 3.5Å; I446-I450 WeakPolarHBondContact O-CG1 3.36Å; I446-I450 PolarHBondContact O-N 2.78Å; H447-I450 PolarHBondContact O-N 3.09Å; E448-I450 VanDerWaalsContact C-N 3.32Å; E448-I450 PolarHBondContact O-N 2.99Å; I450-V452 VanDerWaalsContact C-N 3.35Å; I450-V452 PolarHBondContact O-N 3.12Å; I450-I453 HydrophobicContact CD1-CD1 4.43Å; I450-I453 PolarHBondContact O-N 2.88Å; I450-E454 WeakPolarHBondContact O-CB 3.25Å; I450-E454 PolarHBondContact O-N 3.5Å; I450-L464 HydrophobicContact CD1-CD2 3.49Å; I450-L464 VanDerWaalsContact CD1-CD2 3.49Å; I450-I475 HydrophobicContact CG1-CG2 4.21Å; I450-Q478 HydrophobicContact CG2-CB 3.41Å; I450-Q478 VanDerWaalsContact CG2-CB 3.41Å; I450-Q478 HydrophobicContact CG2-CG 4.23Å; I450-V479 HydrophobicContact CD1-CG2 3.88Å; I450-V479 HydrophobicContact CG2-CG2 4.28Å; I450-I482 HydrophobicContact CG2-CD1 3.99Å; I450-F488 HydrophobicContact CD1-CE1 4.41Å; I450-L490 HydrophobicContact CD1-CD1 4.14Å
451	Y	95.5	Very high	90.4	Very high	100 Å²	100	37.7 Å²	37.7	39%	0.392	20%	0.204	S	C	.	.	H	α-helix	trans	-60.3	-43.1	174.3	173.9	-97.3	0	0	0	111.5	H447 E448 E454 N455	H447-Y451 VanDerWaalsContact O-CB 3.24Å; H447-Y451 WeakPolarHBondContact O-CB 3.44Å; H447-Y451 PolarHBondContact O-N 2.9Å; E448-Y451 WeakPolarHBondContact O-CB 3.45Å; E448-Y451 PolarHBondContact O-N 2.81Å; E448-Y451 VanDerWaalsContact O-N 3.16Å; Y451-E454 PolarHBondContact O-N 3.2Å; Y451-N455 VanDerWaalsContact CD2-ND2 3.27Å; Y451-N455 WeakPolarHBondContact CD2-ND2 3.46Å; Y451-N455 WeakPolarHBondContact CE2-ND2 3.42Å; Y451-N455 WeakPolarHBondContact O-CB 3.35Å; Y451-N455 PolarHBondContact O-N 3.1Å; Y451-N455 VanDerWaalsContact O-N 3.15Å; Y451-N455 PolarHBondContact O-ND2 3.26Å
452	V	96.6	Very high	91.3	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.018	22%	0.218	C	C	.	.	H	α-helix	trans	-62	-44.2	173	177.3	0	0	0	0	111.1	A422 L425 Y426 E448 L449 I450 E454 N455 S456	A422-V452 HydrophobicContact CB-CB 4.39Å; A422-V452 HydrophobicContact CB-CG2 3.99Å; A422-V452 WeakPolarHBondContact O-CG1 3.46Å; L425-V452 HydrophobicContact CB-CG1 4Å; Y426-V452 HydrophobicContact CD1-CG1 4.12Å; Y426-V452 HydrophobicContact CD2-CG1 3.84Å; Y426-V452 HydrophobicContact CE1-CG1 3.93Å; Y426-V452 HydrophobicContact CE2-CB 4.28Å; Y426-V452 HydrophobicContact CE2-CG1 3.63Å; Y426-V452 HydrophobicContact CE2-CG2 3.79Å; Y426-V452 HydrophobicContact CG-CG1 4.07Å; E448-V452 WeakPolarHBondContact O-CG2 3.5Å; E448-V452 PolarHBondContact O-N 2.98Å; L449-V452 PolarHBondContact O-N 2.84Å; I450-V452 VanDerWaalsContact C-N 3.35Å; I450-V452 PolarHBondContact O-N 3.12Å; V452-E454 VanDerWaalsContact C-N 3.34Å; V452-E454 PolarHBondContact O-N 3.06Å; V452-N455 PolarHBondContact O-N 2.94Å; V452-S456 WeakPolarHBondContact O-CB 3.36Å; V452-S456 PolarHBondContact O-N 2.87Å
453	I	96.8	Very high	92.3	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-64.6	-35.3	178.4	-64.3	160.8	0	0	0	112.1	L425 L449 I450 L461 L464 I482 F488	L425-I453 HydrophobicContact CD1-CD1 4.11Å; L425-I453 HydrophobicContact CD1-CG1 3.72Å; L449-I453 HydrophobicContact CD1-CD1 4.26Å; L449-I453 HydrophobicContact CG-CD1 4.07Å; L449-I453 WeakPolarHBondContact O-CD1 3.37Å; L449-I453 VanDerWaalsContact O-CG1 3.29Å; L449-I453 WeakPolarHBondContact O-CG1 3.19Å; L449-I453 PolarHBondContact O-N 3.36Å; L449-I453 VanDerWaalsContact O-N 3.11Å; I450-I453 HydrophobicContact CD1-CD1 4.43Å; I450-I453 PolarHBondContact O-N 2.88Å; I453-L461 HydrophobicContact CD1-CD2 3.75Å; I453-L461 HydrophobicContact CG1-CD2 4.27Å; I453-L464 HydrophobicContact CD1-CD2 3.9Å; I453-I482 HydrophobicContact CB-CD1 4.31Å; I453-I482 HydrophobicContact CG2-CD1 3.83Å; I453-F488 HydrophobicContact CD1-CZ 4.45Å; I453-F488 HydrophobicContact CG2-CE2 4.3Å; I453-F488 HydrophobicContact CG2-CZ 4.17Å
454	E	95.2	Very high	93.2	Very high	27 Å²	27	38.5 Å²	38.5	13%	0.126	21%	0.205	C	C	.	.	H	α-helix	trans	-71.9	-31.7	179.5	-174.4	179.1	-178.5	0	0	113.5	I450 Y451 V452 R481 I482 K485	I450-E454 WeakPolarHBondContact O-CB 3.25Å; I450-E454 PolarHBondContact O-N 3.5Å; Y451-E454 PolarHBondContact O-N 3.2Å; V452-E454 VanDerWaalsContact C-N 3.34Å; V452-E454 PolarHBondContact O-N 3.06Å; E454-R481 VanDerWaalsContact OE1-CB 3.27Å; E454-R481 WeakPolarHBondContact OE1-CB 3.16Å; E454-R481 WeakPolarHBondContact OE1-CD 3.47Å; E454-R481 IonicContact OE1-NH1 3.55Å; E454-I482 HydrophobicContact CB-CD1 4.14Å; E454-I482 HydrophobicContact CB-CG1 3.83Å; E454-I482 HydrophobicContact CG-CG1 4.09Å; E454-K485 PolarHBondContact O-NZ 2.88Å
455	N	94.8	Very high	93.9	Very high	82 Å²	82	36.7 Å²	36.7	44%	0.439	19%	0.188	S	C	.	.	H	α-helix	trans	-106.6	-15.4	-173	-65.9	-77	0	0	0	114.1	Y451 V452 S457	Y451-N455 VanDerWaalsContact CD2-ND2 3.27Å; Y451-N455 WeakPolarHBondContact CD2-ND2 3.46Å; Y451-N455 WeakPolarHBondContact CE2-ND2 3.42Å; Y451-N455 WeakPolarHBondContact O-CB 3.35Å; Y451-N455 PolarHBondContact O-N 3.1Å; Y451-N455 VanDerWaalsContact O-N 3.15Å; Y451-N455 PolarHBondContact O-ND2 3.26Å; V452-N455 PolarHBondContact O-N 2.94Å; N455-S457 PolarHBondContact O-N 3.38Å
456	S	93.7	Very high	94.3	Very high	11 Å²	11	36.7 Å²	36.7	8%	0.077	19%	0.188	C	C	.	.			trans	-75.8	110.8	171.4	176.9	0	0	0	0	111.2	L425 Y426 V452 Q458 C459	L425-S456 WeakPolarHBondContact O-CB 3.35Å; L425-S456 PolarHBondContact O-OG 3.03Å; Y426-S456 WeakPolarHBondContact CA-OG 3.49Å; V452-S456 WeakPolarHBondContact O-CB 3.36Å; V452-S456 PolarHBondContact O-N 2.87Å; S456-Q458 PolarHBondContact O-N 3Å; S456-Q458 PolarHBondContact OG-N 2.92Å; S456-C459 PolarHBondContact O-N 2.74Å; S456-C459 WeakPolarHBondContact OG-CB 3.24Å; S456-C459 PolarHBondContact OG-N 3Å; S456-C459 VanDerWaalsContact OG-N 3.09Å
457	S	88.6	Confident	94	Very high	123 Å²	123	38.1 Å²	38.1	86%	0.86	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-13.5	172.4	57.5	0	0	0	0	113.9	N455	N455-S457 PolarHBondContact O-N 3.38Å
458	Q	88.9	Confident	93.2	Very high	79 Å²	79	35.4 Å²	35.4	37%	0.369	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-15	179	-55.3	-169	20.7	0	0	112.8	K429 S456 I460	K429-Q458 HydrophobicContact CG-CB 4.26Å; S456-Q458 PolarHBondContact O-N 3Å; S456-Q458 PolarHBondContact OG-N 2.92Å; Q458-I460 PolarHBondContact O-N 3.02Å; Q458-I460 VanDerWaalsContact O-N 3.13Å
459	C	93.2	Very high	92.5	Very high	7 Å²	7	32.6 Å²	32.6	5%	0.047	18%	0.175	C	C	.	.			trans	-70.9	104.3	-177.5	-178.9	0	0	0	0	111.9	L425 S456 L461 R486	L425-C459 WeakPolarHBondContact O-CB 3.11Å; S456-C459 PolarHBondContact O-N 2.74Å; S456-C459 WeakPolarHBondContact OG-CB 3.24Å; S456-C459 PolarHBondContact OG-N 3Å; S456-C459 VanDerWaalsContact OG-N 3.09Å; C459-L461 VanDerWaalsContact C-N 3.3Å; C459-L461 PolarHBondContact O-N 3.43Å; C459-L461 VanDerWaalsContact SG-CB 3.5Å; C459-R486 PolarHBondContact O-NE 2.75Å; C459-R486 PolarHBondContact O-NH2 3.33Å
460	I	94.8	Very high	91.2	Very high	65 Å²	65	33.9 Å²	33.9	33%	0.333	18%	0.183	S	C	.	.			trans	-88.5	13.9	174.6	69.1	156.2	0	0	0	113.9	K429 K432 Q458 E462	K429-I460 WeakPolarHBondContact O-CD1 3.49Å; K432-I460 HydrophobicContact CG-CD1 4.17Å; Q458-I460 PolarHBondContact O-N 3.02Å; Q458-I460 VanDerWaalsContact O-N 3.13Å; I460-E462 PolarHBondContact O-N 2.83Å
461	L	97.5	Very high	90.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.186	C	C	.	.			trans	-61.3	106	-176	-171.4	77.6	0	0	0	110.8	L431 K432 L434 I453 C459 L464 R486 F488	L431-L461 HydrophobicContact CD2-CD1 4.26Å; L431-L461 HydrophobicContact CG-CD1 4.09Å; L431-L461 WeakPolarHBondContact O-CA 3.41Å; K432-L461 CarbonylContact O-C 3.55Å; L434-L461 HydrophobicContact CB-CD1 3.67Å; L434-L461 HydrophobicContact CB-CD2 4.24Å; I453-L461 HydrophobicContact CD1-CD2 3.75Å; I453-L461 HydrophobicContact CG1-CD2 4.27Å; C459-L461 VanDerWaalsContact C-N 3.3Å; C459-L461 PolarHBondContact O-N 3.43Å; C459-L461 VanDerWaalsContact SG-CB 3.5Å; L461-L464 HydrophobicContact CD2-CB 4.14Å; L461-L464 HydrophobicContact CD2-CD1 4.35Å; L461-R486 VanDerWaalsContact O-CZ 3.24Å; L461-R486 PolarHBondContact O-NH1 3.33Å; L461-R486 PolarHBondContact O-NH2 2.64Å; L461-F488 HydrophobicContact CD2-CE2 4.22Å; L461-F488 HydrophobicContact CG-CE2 4.43Å; L461-F488 WeakPolarHBondContact O-CD2 3.48Å
462	E	97.4	Very high	89.4	Confident	78 Å²	78	30.2 Å²	30.2	36%	0.364	17%	0.172	S	C	.	.			trans	-79.1	-34.5	-179.1	-77	159.9	-170.8	0	0	112.2	K432 I460 F488 V489	K432-E462 IonicContact NZ-OE1 3.39Å; K432-E462 PolarHBondContact NZ-OE1 2.69Å; K432-E462 IonicContact NZ-OE2 2.67Å; K432-E462 PolarHBondContact NZ-OE2 2.98Å; K432-E462 WeakPolarHBondContact O-CA 3.25Å; K432-E462 PolarHBondContact O-N 3.05Å; I460-E462 PolarHBondContact O-N 2.83Å; E462-F488 CarbonylContact O-C 3.59Å; E462-F488 WeakPolarHBondContact O-CA 3.28Å; E462-V489 PolarHBondContact O-N 3.37Å
463	E	98.1	Very high	88.7	Confident	31 Å²	31	33.9 Å²	33.9	15%	0.145	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	129.9	-178.3	-173.4	-179.3	120.7	0	0	112.2	K432 K433 L434 V489 K491	K432-E463 PolarHBondContact O-N 3.11Å; K433-E463 WeakPolarHBondContact CA-O 3.37Å; K433-E463 HydrophobicContact CB-CB 4.25Å; K433-E463 HydrophobicContact CD-CB 4.29Å; K433-E463 HydrophobicContact CD-CG 4.34Å; K433-E463 VanDerWaalsContact CD-OE1 3.24Å; K433-E463 WeakPolarHBondContact CD-OE1 3.32Å; K433-E463 WeakPolarHBondContact CE-OE1 3.47Å; K433-E463 HydrophobicContact CG-CB 4.01Å; K433-E463 HydrophobicContact CG-CG 4.25Å; L434-E463 PolarHBondContact N-O 2.79Å; E463-V489 WeakPolarHBondContact CA-O 3.29Å; E463-V489 HydrophobicContact CB-CB 4.47Å; E463-V489 HydrophobicContact CG-CB 4.27Å; E463-V489 HydrophobicContact CG-CG1 4.38Å; E463-K491 HydrophobicContact CG-CD 4.39Å; E463-K491 WeakPolarHBondContact OE1-CD 3.27Å; E463-K491 VanDerWaalsContact OE1-CE 3.25Å; E463-K491 WeakPolarHBondContact OE1-CE 3.11Å; E463-K491 IonicContact OE1-NZ 3.05Å; E463-K491 PolarHBondContact OE1-NZ 3.44Å; E463-K491 WeakPolarHBondContact OE2-CE 3.36Å; E463-K491 IonicContact OE2-NZ 2.75Å; E463-K491 PolarHBondContact OE2-NZ 2.7Å
464	L	98.1	Very high	88.1	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	117.9	168.4	179.1	67.1	0	0	0	109.4	L434 L436 L449 I450 I453 L461 L466 F488 V489 L490 K491	L434-L464 HydrophobicContact CB-CD1 4.14Å; L434-L464 HydrophobicContact CD2-CD1 4Å; L434-L464 HydrophobicContact CG-CD1 4.01Å; L434-L464 WeakPolarHBondContact O-CA 3.24Å; L436-L464 HydrophobicContact CD1-CD1 4.27Å; L449-L464 HydrophobicContact CD2-CD1 4.07Å; L449-L464 HydrophobicContact CD2-CD2 4.07Å; I450-L464 HydrophobicContact CD1-CD2 3.49Å; I450-L464 VanDerWaalsContact CD1-CD2 3.49Å; I453-L464 HydrophobicContact CD1-CD2 3.9Å; L461-L464 HydrophobicContact CD2-CB 4.14Å; L461-L464 HydrophobicContact CD2-CD1 4.35Å; L464-L466 HydrophobicContact CD1-CD2 4.03Å; L464-L466 HydrophobicContact CD2-CD1 4.17Å; L464-L466 HydrophobicContact CD2-CD2 4.08Å; L464-L466 HydrophobicContact CD2-CG 4.14Å; L464-L466 HydrophobicContact CG-CD2 3.86Å; L464-L466 HydrophobicContact CG-CG 3.99Å; L464-F488 HydrophobicContact CB-CE2 3.87Å; L464-F488 HydrophobicContact CB-CZ 3.6Å; L464-F488 HydrophobicContact CD2-CZ 4.22Å; L464-V489 PolarHBondContact N-O 3.06Å; L464-L490 HydrophobicContact CB-CD1 4.11Å; L464-L490 HydrophobicContact CD2-CD1 3.81Å; L464-L490 HydrophobicContact CG-CD1 4.09Å; L464-L490 CarbonylContact O-C 3.34Å; L464-L490 WeakPolarHBondContact O-CA 3.43Å; L464-K491 PolarHBondContact O-N 3.42Å
465	D	95.5	Very high	87.7	Confident	14 Å²	14	37 Å²	37	8%	0.075	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	114.2	178.8	-177.1	-38.1	0	0	0	111	K409 L434 C435 L436 G437 E467 K491	K409-D465 WeakPolarHBondContact CE-OD1 3.48Å; K409-D465 VanDerWaalsContact CE-OD2 3.24Å; K409-D465 WeakPolarHBondContact CE-OD2 3.43Å; K409-D465 IonicContact NZ-OD1 2.63Å; K409-D465 PolarHBondContact NZ-OD1 3.18Å; K409-D465 IonicContact NZ-OD2 2.72Å; K409-D465 PolarHBondContact NZ-OD2 3.02Å; L434-D465 PolarHBondContact O-N 3.26Å; C435-D465 HydrophobicContact CB-CB 4.11Å; L436-D465 PolarHBondContact N-O 3.19Å; G437-D465 PolarHBondContact N-O 2.82Å; D465-E467 VanDerWaalsContact OD1-CB 3.25Å; D465-E467 WeakPolarHBondContact OD1-CB 3.24Å; D465-E467 PolarHBondContact OD1-N 3.19Å; D465-K491 HydrophobicContact CB-CB 4.01Å; D465-K491 HydrophobicContact CB-CD 4.5Å
466	L	92.6	Very high	87.4	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.197	C	C	.	.			trans	-115.1	26.1	-179.1	-62	-168.8	0	0	0	111.7	L436 I446 L464 G468 L469 I471 L490 K491 C495	L436-L466 HydrophobicContact CB-CD2 4.1Å; I446-L466 HydrophobicContact CG2-CD1 3.44Å; I446-L466 VanDerWaalsContact CG2-CD1 3.44Å; L464-L466 HydrophobicContact CD1-CD2 4.03Å; L464-L466 HydrophobicContact CD2-CD1 4.17Å; L464-L466 HydrophobicContact CD2-CD2 4.08Å; L464-L466 HydrophobicContact CD2-CG 4.14Å; L464-L466 HydrophobicContact CG-CD2 3.86Å; L464-L466 HydrophobicContact CG-CG 3.99Å; L466-G468 PolarHBondContact O-N 3.15Å; L466-L469 HydrophobicContact CB-CD1 3.91Å; L466-L469 HydrophobicContact CB-CG 4.43Å; L466-L469 HydrophobicContact CD2-CD1 3.91Å; L466-L469 HydrophobicContact CG-CD1 4.37Å; L466-L469 VanDerWaalsContact O-CB 3.29Å; L466-L469 WeakPolarHBondContact O-CB 3.45Å; L466-L469 VanDerWaalsContact O-CG 3.26Å; L466-L469 WeakPolarHBondContact O-CG 3.17Å; L466-L469 PolarHBondContact O-N 2.84Å; L466-L469 VanDerWaalsContact O-N 3.1Å; L466-I471 HydrophobicContact CB-CD1 4.36Å; L466-I471 HydrophobicContact CD1-CD1 3.77Å; L466-L490 HydrophobicContact CD1-CD1 3.81Å; L466-L490 HydrophobicContact CG-CD1 4.06Å; L466-K491 PolarHBondContact N-O 3.44Å; L466-C495 PolarHBondContact O-SG 2.99Å
467	E	83.1	Confident	87.4	Confident	31 Å²	31	39.6 Å²	39.6	15%	0.145	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.4	133.6	-175.9	-164.5	-169.5	169.3	0	0	112.6	K409 G437 F438 D465 L469 A493 K494	K409-E467 IonicContact NZ-OE2 3.98Å; K409-E467 PolarHBondContact NZ-OE2 3.38Å; G437-E467 CarbonylContact C-O 3.59Å; G437-E467 WeakPolarHBondContact CA-O 3.49Å; F438-E467 HydrophobicContact CD2-CB 4.4Å; F438-E467 HydrophobicContact CE2-CB 3.8Å; F438-E467 HydrophobicContact CE2-CG 3.57Å; F438-E467 HydrophobicContact CZ-CB 4.33Å; F438-E467 HydrophobicContact CZ-CG 3.72Å; F438-E467 PolarHBondContact N-O 2.9Å; D465-E467 VanDerWaalsContact OD1-CB 3.25Å; D465-E467 WeakPolarHBondContact OD1-CB 3.24Å; D465-E467 PolarHBondContact OD1-N 3.19Å; E467-L469 PolarHBondContact O-N 2.84Å; E467-A493 WeakPolarHBondContact CA-O 3.47Å; E467-A493 HydrophobicContact CG-CB 4.17Å; E467-A493 WeakPolarHBondContact CG-O 3.33Å; E467-K494 WeakPolarHBondContact OE1-CD 3.15Å; E467-K494 WeakPolarHBondContact OE1-CE 3.05Å; E467-K494 IonicContact OE1-NZ 3.34Å; E467-K494 PolarHBondContact OE1-NZ 2.81Å
468	G	72.4	Confident	87.6	Confident	23 Å²	23	34 Å²	34	24%	0.237	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	4.1	178.6	0	0	0	0	0	116.4	L466 A493	L466-G468 PolarHBondContact O-N 3.15Å; G468-A493 PolarHBondContact N-O 2.69Å; G468-A493 VanDerWaalsContact N-O 3.16Å
469	L	76.5	Confident	87.9	Confident	7 Å²	7	30.8 Å²	30.8	4%	0.037	16%	0.161	C	C	.	.	S	Bend	trans	-84.8	172	173.5	-57.1	-175.9	0	0	0	112	N439 L441 I446 L466 E467 C495 I496	N439-L469 WeakPolarHBondContact O-CD2 3.5Å; L441-L469 HydrophobicContact CB-CD1 4.03Å; L441-L469 HydrophobicContact CB-CD2 4.31Å; L441-L469 HydrophobicContact CD1-CD1 3.7Å; L441-L469 HydrophobicContact CG-CD1 4.46Å; I446-L469 HydrophobicContact CD1-CB 4.01Å; I446-L469 HydrophobicContact CD1-CD1 3.91Å; I446-L469 HydrophobicContact CG1-CD1 4.42Å; L466-L469 HydrophobicContact CB-CD1 3.91Å; L466-L469 HydrophobicContact CB-CG 4.43Å; L466-L469 HydrophobicContact CD2-CD1 3.91Å; L466-L469 HydrophobicContact CG-CD1 4.37Å; L466-L469 VanDerWaalsContact O-CB 3.29Å; L466-L469 WeakPolarHBondContact O-CB 3.45Å; L466-L469 VanDerWaalsContact O-CG 3.26Å; L466-L469 WeakPolarHBondContact O-CG 3.17Å; L466-L469 PolarHBondContact O-N 2.84Å; L466-L469 VanDerWaalsContact O-N 3.1Å; E467-L469 PolarHBondContact O-N 2.84Å; L469-C495 CarbonylContact O-C 3.52Å; L469-C495 WeakPolarHBondContact O-CA 3.29Å; L469-C495 WeakPolarHBondContact O-CB 3.29Å; L469-C495 PolarHBondContact O-SG 3.12Å; L469-I496 PolarHBondContact O-N 3.14Å
470	T	68.6	Low	87.9	Confident	28 Å²	28	36.2 Å²	36.2	17%	0.172	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	124.8	174.5	-49.6	0	0	0	0	109.1	M443 I496 H521	M443-T470 HydrophobicContact CE-CG2 3.79Å; T470-I496 WeakPolarHBondContact CA-O 3.33Å; T470-I496 WeakPolarHBondContact CG2-O 3.29Å; T470-H521 PolarHBondContact OG1-CE1 2.76Å; T470-H521 PolarHBondContact OG1-ND1 3.43Å
471	I	76.3	Confident	88	Confident	10 Å²	10	39 Å²	39	5%	0.051	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	139.2	-174.7	-54.4	-65.4	0	0	0	109.6	I446 L466 I475 L476 V492 C495 I496 W498	I446-I471 HydrophobicContact CD1-CD1 3.89Å; I446-I471 HydrophobicContact CG2-CD1 4.25Å; L466-I471 HydrophobicContact CB-CD1 4.36Å; L466-I471 HydrophobicContact CD1-CD1 3.77Å; I471-I475 HydrophobicContact CG2-CB 4.09Å; I471-I475 HydrophobicContact CG2-CG2 3.98Å; I471-L476 HydrophobicContact CG2-CD2 3.97Å; I471-L476 HydrophobicContact CG2-CG 4.11Å; I471-V492 HydrophobicContact CG1-CG1 4.08Å; I471-C495 HydrophobicContact CG1-CB 4.12Å; I471-I496 PolarHBondContact N-O 3.27Å; I471-W498 PolarHBondContact O-N 2.98Å
472	S	79.2	Confident	87.9	Confident	14 Å²	14	39 Å²	39	10%	0.098	19%	0.193	C	C	.	.			trans	-106.9	159.9	176.4	61.2	0	0	0	0	111.6	M443 N474 I475 L476	M443-S472 VanDerWaalsContact SD-CB 3.52Å; M443-S472 PolarHBondContact SD-N 3.39Å; M443-S472 VanDerWaalsContact SD-N 3.38Å; M443-S472 PolarHBondContact SD-OG 2.89Å; S472-N474 PolarHBondContact O-N 3.36Å; S472-I475 PolarHBondContact O-N 3.21Å; S472-L476 PolarHBondContact O-N 3.03Å
473	E	81.4	Confident	87.8	Confident	80 Å²	80	38.4 Å²	38.4	37%	0.374	19%	0.192	S	C	.	.	H	α-helix	trans	-56.9	-31.7	174.6	-61.1	-56.3	135.7	0	0	112.5	I475 L476 Q477 R497	E473-I475 VanDerWaalsContact C-N 3.34Å; E473-I475 PolarHBondContact O-N 3.16Å; E473-L476 PolarHBondContact O-N 3.44Å; E473-Q477 VanDerWaalsContact O-CG 3.31Å; E473-Q477 WeakPolarHBondContact O-CG 3.46Å; E473-Q477 PolarHBondContact O-N 3.46Å; E473-R497 IonicContact OE1-CZ 3.82Å; E473-R497 IonicContact OE1-NE 2.71Å; E473-R497 PolarHBondContact OE1-NE 3.15Å; E473-R497 IonicContact OE1-NH2 3.42Å; E473-R497 PolarHBondContact OE1-NH2 2.86Å; E473-R497 IonicContact OE2-NH2 2.84Å
474	N	83.4	Confident	87.7	Confident	95 Å²	95	47.4 Å²	47.4	51%	0.508	22%	0.224	S	C	.	.	H	α-helix	trans	-61.9	-41	176.5	-67.5	-1.9	0	0	0	111.8	S472 Q477 Q478	S472-N474 PolarHBondContact O-N 3.36Å; N474-Q477 WeakPolarHBondContact O-CB 3.48Å; N474-Q477 PolarHBondContact O-N 2.97Å; N474-Q478 WeakPolarHBondContact O-CG 3.29Å; N474-Q478 PolarHBondContact O-N 3.27Å
475	I	87.3	Confident	87.5	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-67.5	-42	175.9	-69	166.8	0	0	0	110.4	M443 I446 I450 I471 S472 E473 Q477 Q478 V479	M443-I475 HydrophobicContact CG-CD1 4.14Å; M443-I475 HydrophobicContact SD-CD1 3.34Å; M443-I475 WeakPolarHBondContact SD-CD1 3.16Å; M443-I475 HydrophobicContact SD-CG1 4.45Å; I446-I475 HydrophobicContact CB-CD1 3.91Å; I446-I475 HydrophobicContact CG2-CD1 3.71Å; I446-I475 HydrophobicContact CG2-CG1 4.46Å; I446-I475 HydrophobicContact CG2-CG2 4.19Å; I450-I475 HydrophobicContact CG1-CG2 4.21Å; I471-I475 HydrophobicContact CG2-CB 4.09Å; I471-I475 HydrophobicContact CG2-CG2 3.98Å; S472-I475 PolarHBondContact O-N 3.21Å; E473-I475 VanDerWaalsContact C-N 3.34Å; E473-I475 PolarHBondContact O-N 3.16Å; I475-Q477 VanDerWaalsContact C-N 3.28Å; I475-Q477 PolarHBondContact O-N 3.17Å; I475-Q478 PolarHBondContact O-N 3.12Å; I475-V479 WeakPolarHBondContact O-CG2 3.44Å; I475-V479 PolarHBondContact O-N 2.66Å
476	L	89.7	Confident	87.4	Confident	47 Å²	47	56.8 Å²	56.8	25%	0.246	26%	0.263	C	S	.	.	H	α-helix	trans	-60.5	-39.7	175.1	-61.8	179	0	0	0	111.2	I471 S472 E473 V479 H480 L490	I471-L476 HydrophobicContact CG2-CD2 3.97Å; I471-L476 HydrophobicContact CG2-CG 4.11Å; S472-L476 PolarHBondContact O-N 3.03Å; E473-L476 PolarHBondContact O-N 3.44Å; L476-V479 PolarHBondContact O-N 2.92Å; L476-H480 PolarHBondContact O-CD2 3.15Å; L476-H480 PolarHBondContact O-N 3.19Å; L476-L490 HydrophobicContact CD2-CD2 4.3Å
477	Q	91.8	Very high	87.5	Confident	99 Å²	99	63.3 Å²	63.3	46%	0.463	29%	0.293	S	S	.	.	H	α-helix	trans	-62.9	-42.9	173.6	-71.3	174.5	25.8	0	0	112.8	E473 N474 I475 V479 H480 R481	E473-Q477 VanDerWaalsContact O-CG 3.31Å; E473-Q477 WeakPolarHBondContact O-CG 3.46Å; E473-Q477 PolarHBondContact O-N 3.46Å; N474-Q477 WeakPolarHBondContact O-CB 3.48Å; N474-Q477 PolarHBondContact O-N 2.97Å; I475-Q477 VanDerWaalsContact C-N 3.28Å; I475-Q477 PolarHBondContact O-N 3.17Å; Q477-V479 VanDerWaalsContact C-N 3.33Å; Q477-V479 PolarHBondContact O-N 2.9Å; Q477-H480 PolarHBondContact O-N 2.9Å; Q477-R481 WeakPolarHBondContact O-CG 3.46Å; Q477-R481 PolarHBondContact O-N 3.45Å
478	Q	93.1	Very high	88.1	Confident	6 Å²	6	62 Å²	62	3%	0.028	29%	0.287	C	S	.	.	H	α-helix	trans	-60	-43.8	172.9	-66.5	174.2	-82.5	0	0	111.2	H447 I450 N474 I475 H480 R481 I482	H447-Q478 PolarHBondContact CD2-OE1 2.71Å; H447-Q478 PolarHBondContact O-NE2 3.09Å; I450-Q478 HydrophobicContact CG2-CB 3.41Å; I450-Q478 VanDerWaalsContact CG2-CB 3.41Å; I450-Q478 HydrophobicContact CG2-CG 4.23Å; N474-Q478 WeakPolarHBondContact O-CG 3.29Å; N474-Q478 PolarHBondContact O-N 3.27Å; I475-Q478 PolarHBondContact O-N 3.12Å; Q478-H480 VanDerWaalsContact C-N 3.33Å; Q478-H480 PolarHBondContact O-N 3.3Å; Q478-R481 WeakPolarHBondContact O-CA 3.04Å; Q478-R481 WeakPolarHBondContact O-CB 3.36Å; Q478-R481 PolarHBondContact O-N 3.36Å; Q478-I482 WeakPolarHBondContact O-CG1 3.22Å; Q478-I482 PolarHBondContact O-N 3.23Å
479	V	95.2	Very high	89.2	Confident	11 Å²	11	63.5 Å²	63.5	7%	0.067	29%	0.291	C	S	.	.	H	α-helix	trans	-64.3	-34.3	176.3	169.1	0	0	0	0	112.8	I450 I475 L476 Q477 I482 N483 F488 L490	I450-V479 HydrophobicContact CD1-CG2 3.88Å; I450-V479 HydrophobicContact CG2-CG2 4.28Å; I475-V479 WeakPolarHBondContact O-CG2 3.44Å; I475-V479 PolarHBondContact O-N 2.66Å; L476-V479 PolarHBondContact O-N 2.92Å; Q477-V479 VanDerWaalsContact C-N 3.33Å; Q477-V479 PolarHBondContact O-N 2.9Å; V479-I482 PolarHBondContact O-N 3.43Å; V479-N483 WeakPolarHBondContact O-CB 3.48Å; V479-N483 PolarHBondContact O-N 3.03Å; V479-N483 PolarHBondContact O-ND2 3.29Å; V479-F488 HydrophobicContact CG1-CD1 4.05Å; V479-F488 HydrophobicContact CG1-CE1 4.24Å; V479-F488 HydrophobicContact CG2-CD1 4.49Å; V479-F488 HydrophobicContact CG2-CE1 3.95Å; V479-L490 HydrophobicContact CG1-CB 3.94Å; V479-L490 HydrophobicContact CG2-CB 4.39Å; V479-L490 HydrophobicContact CG2-CD1 4.26Å; V479-L490 HydrophobicContact CG2-CD2 4.02Å; V479-L490 HydrophobicContact CG2-CG 4.44Å
480	H	94.9	Very high	90.1	Very high	122 Å²	122	64.3 Å²	64.3	57%	0.565	30%	0.295	S	S	*	.	H	α-helix	trans	-66	-35.1	170	-73.4	-57.3	0	0	0	112.5	L476 Q477 Q478 N483 R484	L476-H480 PolarHBondContact O-CD2 3.15Å; L476-H480 PolarHBondContact O-N 3.19Å; Q477-H480 PolarHBondContact O-N 2.9Å; Q478-H480 VanDerWaalsContact C-N 3.33Å; Q478-H480 PolarHBondContact O-N 3.3Å; H480-N483 PolarHBondContact O-N 2.94Å; H480-R484 WeakPolarHBondContact O-CG 3.45Å; H480-R484 PolarHBondContact O-N 3.27Å; H480-R484 VanDerWaalsContact O-N 3.16Å
481	R	95.7	Very high	91.1	Very high	122 Å²	122	67 Å²	67	46%	0.46	31%	0.305	S	S	.	.	H	α-helix	trans	-68.3	-37.5	174.3	-65	170.3	-167.4	172.1	3.5	112.3	E454 Q477 Q478 R484	E454-R481 VanDerWaalsContact OE1-CB 3.27Å; E454-R481 WeakPolarHBondContact OE1-CB 3.16Å; E454-R481 WeakPolarHBondContact OE1-CD 3.47Å; E454-R481 IonicContact OE1-NH1 3.55Å; Q477-R481 WeakPolarHBondContact O-CG 3.46Å; Q477-R481 PolarHBondContact O-N 3.45Å; Q478-R481 WeakPolarHBondContact O-CA 3.04Å; Q478-R481 WeakPolarHBondContact O-CB 3.36Å; Q478-R481 PolarHBondContact O-N 3.36Å; R481-R484 PolarHBondContact O-N 2.88Å
482	I	96.1	Very high	91.4	Very high	2 Å²	2	69.2 Å²	69.2	1%	0.01	32%	0.318	C	S	.	.	H	α-helix	trans	-62.2	-48.7	171.7	-62.7	162.7	0	0	0	110	I450 I453 E454 Q478 V479 R484 K485 R486 F488	I450-I482 HydrophobicContact CG2-CD1 3.99Å; I453-I482 HydrophobicContact CB-CD1 4.31Å; I453-I482 HydrophobicContact CG2-CD1 3.83Å; E454-I482 HydrophobicContact CB-CD1 4.14Å; E454-I482 HydrophobicContact CB-CG1 3.83Å; E454-I482 HydrophobicContact CG-CG1 4.09Å; Q478-I482 WeakPolarHBondContact O-CG1 3.22Å; Q478-I482 PolarHBondContact O-N 3.23Å; V479-I482 PolarHBondContact O-N 3.43Å; I482-R484 PolarHBondContact O-N 2.88Å; I482-K485 WeakPolarHBondContact O-CB 3.47Å; I482-K485 PolarHBondContact O-N 2.85Å; I482-R486 HydrophobicContact CG2-CG 4.36Å; I482-R486 PolarHBondContact O-N 3.36Å; I482-R486 VanDerWaalsContact O-N 3.14Å; I482-F488 HydrophobicContact CB-CD1 4.03Å; I482-F488 HydrophobicContact CD1-CD1 4.03Å; I482-F488 HydrophobicContact CD1-CE1 3.89Å; I482-F488 HydrophobicContact CG2-CB 3.59Å; I482-F488 HydrophobicContact CG2-CD1 3.65Å; I482-F488 HydrophobicContact CG2-CE1 4.49Å; I482-F488 HydrophobicContact CG2-CG 3.69Å
483	N	95.7	Very high	91	Very high	65 Å²	65	71.4 Å²	71.4	35%	0.348	34%	0.338	S	S	.	.	H	α-helix	trans	-62.9	-23	-178.3	-88.6	-67.8	0	0	0	114.7	V479 H480 K485 R486 F488	V479-N483 WeakPolarHBondContact O-CB 3.48Å; V479-N483 PolarHBondContact O-N 3.03Å; V479-N483 PolarHBondContact O-ND2 3.29Å; H480-N483 PolarHBondContact O-N 2.94Å; N483-K485 VanDerWaalsContact C-N 3.27Å; N483-K485 PolarHBondContact O-N 2.61Å; N483-R486 WeakPolarHBondContact CA-O 3.25Å; N483-F488 PolarHBondContact ND2-O 3.06Å; N483-F488 PolarHBondContact OD1-N 3.44Å; N483-F488 VanDerWaalsContact OD1-N 3.1Å; N483-F488 PolarHBondContact OD1-O 3.2Å
484	R	95.1	Very high	90	Very high	220 Å²	220	75 Å²	75	83%	0.83	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-19.9	170.9	-73.3	174.8	-177.5	-169.2	0.1	113.7	H480 R481 I482	H480-R484 WeakPolarHBondContact O-CG 3.45Å; H480-R484 PolarHBondContact O-N 3.27Å; H480-R484 VanDerWaalsContact O-N 3.16Å; R481-R484 PolarHBondContact O-N 2.88Å; I482-R484 PolarHBondContact O-N 2.88Å
485	K	93.8	Very high	88.8	Confident	143 Å²	143	71.8 Å²	71.8	62%	0.622	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	-36.5	-178.1	-58.1	177	-170.6	173.9	0	112.6	E454 I482 N483	E454-K485 PolarHBondContact O-NZ 2.88Å; I482-K485 WeakPolarHBondContact O-CB 3.47Å; I482-K485 PolarHBondContact O-N 2.85Å; N483-K485 VanDerWaalsContact C-N 3.27Å; N483-K485 PolarHBondContact O-N 2.61Å
486	R	94.7	Very high	87	Confident	68 Å²	68	74.4 Å²	74.4	26%	0.257	35%	0.35	S	S	.	.	S	Bend	trans	-159.9	161.7	-176.2	60.9	177.6	-171.5	77.3	-13.8	111.2	C459 L461 I482 N483 F488	C459-R486 PolarHBondContact O-NE 2.75Å; C459-R486 PolarHBondContact O-NH2 3.33Å; L461-R486 VanDerWaalsContact O-CZ 3.24Å; L461-R486 PolarHBondContact O-NH1 3.33Å; L461-R486 PolarHBondContact O-NH2 2.64Å; I482-R486 HydrophobicContact CG2-CG 4.36Å; I482-R486 PolarHBondContact O-N 3.36Å; I482-R486 VanDerWaalsContact O-N 3.14Å; N483-R486 WeakPolarHBondContact CA-O 3.25Å; R486-F488 PolarHBondContact O-N 3.31Å
487	H	92.8	Very high	85.2	Confident	137 Å²	137	79.3 Å²	79.3	63%	0.634	37%	0.365	S	S	*	.			trans	-58.3	128.4	170.7	-174.5	71.6	0	0	0	110.9
488	F	96.9	Very high	82.9	Confident	4 Å²	4	79.2 Å²	79.2	2%	0.018	36%	0.361	C	S	.	.			trans	-153	116.1	176	-178.1	-121.7	0	0	0	112.9	I450 I453 L461 E462 L464 V479 I482 N483 R486	I450-F488 HydrophobicContact CD1-CE1 4.41Å; I453-F488 HydrophobicContact CD1-CZ 4.45Å; I453-F488 HydrophobicContact CG2-CE2 4.3Å; I453-F488 HydrophobicContact CG2-CZ 4.17Å; L461-F488 HydrophobicContact CD2-CE2 4.22Å; L461-F488 HydrophobicContact CG-CE2 4.43Å; L461-F488 WeakPolarHBondContact O-CD2 3.48Å; E462-F488 CarbonylContact O-C 3.59Å; E462-F488 WeakPolarHBondContact O-CA 3.28Å; L464-F488 HydrophobicContact CB-CE2 3.87Å; L464-F488 HydrophobicContact CB-CZ 3.6Å; L464-F488 HydrophobicContact CD2-CZ 4.22Å; V479-F488 HydrophobicContact CG1-CD1 4.05Å; V479-F488 HydrophobicContact CG1-CE1 4.24Å; V479-F488 HydrophobicContact CG2-CD1 4.49Å; V479-F488 HydrophobicContact CG2-CE1 3.95Å; I482-F488 HydrophobicContact CB-CD1 4.03Å; I482-F488 HydrophobicContact CD1-CD1 4.03Å; I482-F488 HydrophobicContact CD1-CE1 3.89Å; I482-F488 HydrophobicContact CG2-CB 3.59Å; I482-F488 HydrophobicContact CG2-CD1 3.65Å; I482-F488 HydrophobicContact CG2-CE1 4.49Å; I482-F488 HydrophobicContact CG2-CG 3.69Å; N483-F488 PolarHBondContact ND2-O 3.06Å; N483-F488 PolarHBondContact OD1-N 3.44Å; N483-F488 VanDerWaalsContact OD1-N 3.1Å; N483-F488 PolarHBondContact OD1-O 3.2Å; R486-F488 PolarHBondContact O-N 3.31Å
489	V	95.9	Very high	80.6	Confident	53 Å²	53	85.4 Å²	85.4	32%	0.321	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	118.8	-179.8	-179	0	0	0	0	110.3	E462 E463 L464 K491	E462-V489 PolarHBondContact O-N 3.37Å; E463-V489 WeakPolarHBondContact CA-O 3.29Å; E463-V489 HydrophobicContact CB-CB 4.47Å; E463-V489 HydrophobicContact CG-CB 4.27Å; E463-V489 HydrophobicContact CG-CG1 4.38Å; L464-V489 PolarHBondContact N-O 3.06Å; V489-K491 HydrophobicContact CG1-CG 4.16Å
490	L	95	Very high	78.4	Confident	25 Å²	25	88.8 Å²	88.8	13%	0.131	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	108.6	167.4	-168.9	80.4	0	0	0	109.4	I450 L464 L466 L476 V479 V492	I450-L490 HydrophobicContact CD1-CD1 4.14Å; L464-L490 HydrophobicContact CB-CD1 4.11Å; L464-L490 HydrophobicContact CD2-CD1 3.81Å; L464-L490 HydrophobicContact CG-CD1 4.09Å; L464-L490 CarbonylContact O-C 3.34Å; L464-L490 WeakPolarHBondContact O-CA 3.43Å; L466-L490 HydrophobicContact CD1-CD1 3.81Å; L466-L490 HydrophobicContact CG-CD1 4.06Å; L476-L490 HydrophobicContact CD2-CD2 4.3Å; V479-L490 HydrophobicContact CG1-CB 3.94Å; V479-L490 HydrophobicContact CG2-CB 4.39Å; V479-L490 HydrophobicContact CG2-CD1 4.26Å; V479-L490 HydrophobicContact CG2-CD2 4.02Å; V479-L490 HydrophobicContact CG2-CG 4.44Å; L490-V492 HydrophobicContact CD2-CG1 3.36Å; L490-V492 HydrophobicContact CG-CG1 3.69Å; L490-V492 PolarHBondContact O-N 2.94Å
491	K	90.2	Very high	76.2	Confident	84 Å²	84	85.2 Å²	85.2	37%	0.365	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	113.6	173.4	-73.9	-178.3	-179	159.4	0	110	E463 L464 D465 L466 V489	E463-K491 HydrophobicContact CG-CD 4.39Å; E463-K491 WeakPolarHBondContact OE1-CD 3.27Å; E463-K491 VanDerWaalsContact OE1-CE 3.25Å; E463-K491 WeakPolarHBondContact OE1-CE 3.11Å; E463-K491 IonicContact OE1-NZ 3.05Å; E463-K491 PolarHBondContact OE1-NZ 3.44Å; E463-K491 WeakPolarHBondContact OE2-CE 3.36Å; E463-K491 IonicContact OE2-NZ 2.75Å; E463-K491 PolarHBondContact OE2-NZ 2.7Å; L464-K491 PolarHBondContact O-N 3.42Å; D465-K491 HydrophobicContact CB-CB 4.01Å; D465-K491 HydrophobicContact CB-CD 4.5Å; L466-K491 PolarHBondContact N-O 3.44Å; V489-K491 HydrophobicContact CG1-CG 4.16Å
492	V	81.6	Confident	73.6	Confident	56 Å²	56	87.3 Å²	87.3	34%	0.339	41%	0.408	S	S	.	.			trans	-123	27.9	-178.5	-63.6	0	0	0	0	113	I471 L490 K494 C495	I471-V492 HydrophobicContact CG1-CG1 4.08Å; L490-V492 HydrophobicContact CD2-CG1 3.36Å; L490-V492 HydrophobicContact CG-CG1 3.69Å; L490-V492 PolarHBondContact O-N 2.94Å; V492-K494 PolarHBondContact O-N 2.78Å; V492-C495 VanDerWaalsContact C-SG 3.53Å; V492-C495 WeakPolarHBondContact CA-SG 3.42Å; V492-C495 HydrophobicContact CB-CB 4.01Å; V492-C495 VanDerWaalsContact O-CB 3.25Å; V492-C495 WeakPolarHBondContact O-CB 3.45Å; V492-C495 PolarHBondContact O-N 3.16Å; V492-C495 VanDerWaalsContact O-N 3.14Å; V492-C495 PolarHBondContact O-SG 3Å; V492-C495 VanDerWaalsContact O-SG 3.38Å
493	A	71.1	Confident	71.7	Confident	61 Å²	61	89.9 Å²	89.9	50%	0.504	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	140.9	174.5	0	0	0	0	0	110.2	E467 G468 C495	E467-A493 WeakPolarHBondContact CA-O 3.47Å; E467-A493 HydrophobicContact CG-CB 4.17Å; E467-A493 WeakPolarHBondContact CG-O 3.33Å; G468-A493 PolarHBondContact N-O 2.69Å; G468-A493 VanDerWaalsContact N-O 3.16Å; A493-C495 PolarHBondContact O-N 2.61Å
494	K	59.9	Low	69.4	Low	154 Å²	154	95.6 Å²	95.6	67%	0.67	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	10.7	-177.2	-49.9	171.8	-167.3	142.3	0	115.2	F438 E467 V492	F438-K494 HydrophobicContact CZ-CD 4.33Å; E467-K494 WeakPolarHBondContact OE1-CD 3.15Å; E467-K494 WeakPolarHBondContact OE1-CE 3.05Å; E467-K494 IonicContact OE1-NZ 3.34Å; E467-K494 PolarHBondContact OE1-NZ 2.81Å; V492-K494 PolarHBondContact O-N 2.78Å
495	C	57.8	Low	67.2	Low	28 Å²	28	92 Å²	92	19%	0.189	45%	0.445	C	S	.	.			trans	-65.9	141.3	174.3	-71.7	0	0	0	0	110.2	L466 L469 I471 V492 A493 R497	L466-C495 PolarHBondContact O-SG 2.99Å; L469-C495 CarbonylContact O-C 3.52Å; L469-C495 WeakPolarHBondContact O-CA 3.29Å; L469-C495 WeakPolarHBondContact O-CB 3.29Å; L469-C495 PolarHBondContact O-SG 3.12Å; I471-C495 HydrophobicContact CG1-CB 4.12Å; V492-C495 VanDerWaalsContact C-SG 3.53Å; V492-C495 WeakPolarHBondContact CA-SG 3.42Å; V492-C495 HydrophobicContact CB-CB 4.01Å; V492-C495 VanDerWaalsContact O-CB 3.25Å; V492-C495 WeakPolarHBondContact O-CB 3.45Å; V492-C495 PolarHBondContact O-N 3.16Å; V492-C495 VanDerWaalsContact O-N 3.14Å; V492-C495 PolarHBondContact O-SG 3Å; V492-C495 VanDerWaalsContact O-SG 3.38Å; A493-C495 PolarHBondContact O-N 2.61Å; C495-R497 PolarHBondContact O-N 3.4Å
496	I	50.8	Low	65.3	Low	56 Å²	56	88.6 Å²	88.6	29%	0.287	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	107	174.4	-55.8	177.4	0	0	0	106.5	L469 T470 I471 W498 R520	L469-I496 PolarHBondContact O-N 3.14Å; T470-I496 WeakPolarHBondContact CA-O 3.33Å; T470-I496 WeakPolarHBondContact CG2-O 3.29Å; I471-I496 PolarHBondContact N-O 3.27Å; I496-W498 PolarHBondContact O-N 2.66Å; I496-R520 HydrophobicContact CD1-CG 4.1Å
497	R	51.4	Low	63.5	Low	150 Å²	150	94.3 Å²	94.3	57%	0.566	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.3	133	167.9	-164.6	-177.3	-165.7	-179.9	6.6	108	E473 C495 E499	E473-R497 IonicContact OE1-CZ 3.82Å; E473-R497 IonicContact OE1-NE 2.71Å; E473-R497 PolarHBondContact OE1-NE 3.15Å; E473-R497 IonicContact OE1-NH2 3.42Å; E473-R497 PolarHBondContact OE1-NH2 2.86Å; E473-R497 IonicContact OE2-NH2 2.84Å; C495-R497 PolarHBondContact O-N 3.4Å; R497-E499 PolarHBondContact O-N 2.86Å
498	W	43.2	Very low	62.4	Low	96 Å²	96	90.2 Å²	90.2	36%	0.364	45%	0.451	S	S	.	.			trans	-72.4	121.3	174.6	-174.7	95.3	0	0	0	109.7	I471 I496 P500 Q553	I471-W498 PolarHBondContact O-N 2.98Å; I496-W498 PolarHBondContact O-N 2.66Å; W498-P500 HydrophobicContact CE3-CG 4.47Å; W498-P500 HydrophobicContact CH2-CG 3.81Å; W498-P500 HydrophobicContact CZ3-CG 3.64Å; W498-Q553 HydrophobicContact CZ2-CB 4.35Å; W498-Q553 PolarHBondContact NE1-O 2.71Å
499	E	45.9	Very low	61.7	Low	137 Å²	137	93.1 Å²	93.1	64%	0.64	47%	0.467	S	S	*	.			trans	-129.1	133.6	173.8	-69.4	-176.8	180	0	0	109.4	R497	R497-E499 PolarHBondContact O-N 2.86Å
500	P	47.3	Very low	61.2	Low	81 Å²	81	91 Å²	91	53%	0.526	45%	0.454	S	S	.	.			trans	-58.9	145.2	173.5	-20.9	30.8	0	0	0	111.7	W498 Q502	W498-P500 HydrophobicContact CE3-CG 4.47Å; W498-P500 HydrophobicContact CH2-CG 3.81Å; W498-P500 HydrophobicContact CZ3-CG 3.64Å; P500-Q502 PolarHBondContact O-N 3.29Å
501	R	49.7	Very low	60.8	Low	48 Å²	48	90.1 Å²	90.1	18%	0.181	45%	0.449	C	S	.	.			trans	-64.4	111.8	177.9	-95.2	-159	-83.2	158.5	-0	111.8	Y505 F513 P555 D560	R501-Y505 WeakPolarHBondContact CD-O 3.38Å; R501-Y505 PolarHBondContact NH1-O 2.93Å; R501-F513 VanDerWaalsContact CD-CE2 3.43Å; R501-F513 HydrophobicContact CG-CE2 4.17Å; R501-F513 HydrophobicContact CG-CZ 4.22Å; R501-F513 VanDerWaalsContact NE-CE2 3.33Å; R501-F513 VanDerWaalsContact NE-CZ 3.27Å; R501-F513 VanDerWaalsContact NH2-CD1 3.28Å; R501-P555 VanDerWaalsContact CZ-O 3.32Å; R501-P555 PolarHBondContact NE-O 3.38Å; R501-P555 PolarHBondContact NH2-O 3.37Å; R501-D560 IonicContact CZ-OD2 2.69Å; R501-D560 IonicContact NH1-OD2 2.61Å; R501-D560 PolarHBondContact NH1-OD2 3.34Å; R501-D560 IonicContact NH2-OD2 2.7Å; R501-D560 PolarHBondContact NH2-OD2 3.1Å
502	Q	41.4	Very low	60.5	Low	165 Å²	165	88 Å²	88	77%	0.771	44%	0.444	S	S	*	.			trans	-128.8	163.4	163.1	-63.2	-161.8	4.3	0	0	111.1	P500	P500-Q502 PolarHBondContact O-N 3.29Å
503	G	54.9	Low	60.6	Low	57 Å²	57	86 Å²	86	59%	0.588	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	69.3	-141.1	177.6	0	0	0	0	0	114.4	Y505 S506	G503-Y505 PolarHBondContact O-N 2.98Å; G503-S506 PolarHBondContact O-N 2.85Å; G503-S506 VanDerWaalsContact O-N 3.14Å; G503-S506 PolarHBondContact O-OG 3.06Å; G503-S506 VanDerWaalsContact O-OG 3.06Å
504	K	48.8	Very low	61.2	Low	185 Å²	185	83.1 Å²	83.1	80%	0.804	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-55.7	-25.8	-170	-70.2	-178.9	-179.9	175.4	0	114.4	S506 K507	K504-S506 PolarHBondContact O-N 3.15Å; K504-K507 PolarHBondContact O-N 3.33Å
505	Y	49	Very low	62.3	Low	143 Å²	143	76.8 Å²	76.8	56%	0.561	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-71	-10.7	-178.4	-58.3	-69.8	0	0	0	114.8	R501 G503 K507	R501-Y505 WeakPolarHBondContact CD-O 3.38Å; R501-Y505 PolarHBondContact NH1-O 2.93Å; G503-Y505 PolarHBondContact O-N 2.98Å; Y505-K507 VanDerWaalsContact C-N 3.27Å
506	S	53.1	Low	63.1	Low	73 Å²	73	77.7 Å²	77.7	51%	0.51	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-77	-11.8	170.3	66.9	0	0	0	0	113.6	G503 K504	G503-S506 PolarHBondContact O-N 2.85Å; G503-S506 VanDerWaalsContact O-N 3.14Å; G503-S506 PolarHBondContact O-OG 3.06Å; G503-S506 VanDerWaalsContact O-OG 3.06Å; K504-S506 PolarHBondContact O-N 3.15Å
507	K	57.6	Low	64.4	Low	187 Å²	187	76 Å²	76	81%	0.813	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-89.9	-7.1	-179.3	-60.7	-167.3	176.9	-169.1	0	114.3	K504 Y505	K504-K507 PolarHBondContact O-N 3.33Å; Y505-K507 VanDerWaalsContact C-N 3.27Å
508	T	69	Low	65.7	Low	51 Å²	51	69.4 Å²	69.4	31%	0.313	35%	0.352	S	S	.	.	S	Bend	trans	-87	135	176.9	-49.9	0	0	0	0	108.8	T512 F513	T508-T512 HydrophobicContact CG2-CG2 3.81Å; T508-F513 HydrophobicContact CG2-CB 4.36Å
509	D	81.9	Confident	67	Low	66 Å²	66	69.1 Å²	69.1	35%	0.353	37%	0.365	S	S	.	.			trans	-63	150.5	178.5	72.6	86.2	0	0	0	111.4	V511 T512 F513 F588	D509-V511 PolarHBondContact O-N 2.85Å; D509-V511 VanDerWaalsContact O-N 3.16Å; D509-V511 PolarHBondContact OD1-N 3.42Å; D509-V511 VanDerWaalsContact OD1-N 3.14Å; D509-T512 VanDerWaalsContact CG-OG1 3.28Å; D509-T512 PolarHBondContact O-N 3.43Å; D509-T512 WeakPolarHBondContact OD1-CB 3.41Å; D509-T512 PolarHBondContact OD1-N 3.39Å; D509-T512 PolarHBondContact OD1-OG1 3.42Å; D509-T512 WeakPolarHBondContact OD2-CB 3.42Å; D509-T512 PolarHBondContact OD2-OG1 3.05Å; D509-F513 WeakPolarHBondContact O-CB 3.33Å; D509-F513 PolarHBondContact O-N 2.98Å; D509-F588 WeakPolarHBondContact OD1-CZ 3.39Å
510	P	85.1	Confident	68	Low	9 Å²	9	69.5 Å²	69.5	6%	0.058	36%	0.361	C	S	.	.	H	α-helix	trans	-60.8	-28.7	-172.4	-28.9	38.5	0	0	0	114.7	L514 L556 D560 I563 L564	P510-L514 WeakPolarHBondContact O-CB 3.41Å; P510-L514 PolarHBondContact O-N 3.24Å; P510-L556 HydrophobicContact CB-CD2 3.87Å; P510-D560 HydrophobicContact CB-CB 4.02Å; P510-D560 HydrophobicContact CG-CB 3.76Å; P510-I563 HydrophobicContact CG-CB 4.02Å; P510-I563 HydrophobicContact CG-CD1 4.47Å; P510-I563 HydrophobicContact CG-CG2 3.81Å; P510-L564 HydrophobicContact CB-CB 4.16Å
511	V	86.7	Confident	68.7	Low	5 Å²	5	67.5 Å²	67.5	3%	0.03	34%	0.344	C	S	.	.	H	α-helix	trans	-81.1	-47	-176	-169	0	0	0	0	110.3	D509 F513 L514 I515 L564 Y567 I585 F588	D509-V511 PolarHBondContact O-N 2.85Å; D509-V511 VanDerWaalsContact O-N 3.16Å; D509-V511 PolarHBondContact OD1-N 3.42Å; D509-V511 VanDerWaalsContact OD1-N 3.14Å; V511-F513 VanDerWaalsContact C-N 3.25Å; V511-F513 PolarHBondContact O-N 2.84Å; V511-L514 PolarHBondContact O-N 3.2Å; V511-I515 HydrophobicContact CG1-CD1 4.03Å; V511-I515 WeakPolarHBondContact O-CB 3.37Å; V511-I515 WeakPolarHBondContact O-CD1 3.29Å; V511-I515 VanDerWaalsContact O-CG1 3.25Å; V511-I515 WeakPolarHBondContact O-CG1 3.5Å; V511-I515 PolarHBondContact O-N 2.97Å; V511-L564 HydrophobicContact CG2-CD1 4.01Å; V511-Y567 HydrophobicContact CG1-CD1 4.44Å; V511-Y567 HydrophobicContact CG1-CE1 4.26Å; V511-Y567 HydrophobicContact CG2-CD1 3.72Å; V511-Y567 HydrophobicContact CG2-CE1 4.22Å; V511-Y567 HydrophobicContact CG2-CG 4.09Å; V511-I585 HydrophobicContact CG1-CD1 3.65Å; V511-F588 HydrophobicContact CB-CD1 4.12Å; V511-F588 HydrophobicContact CB-CD2 3.82Å; V511-F588 HydrophobicContact CB-CE1 4.02Å; V511-F588 HydrophobicContact CB-CE2 3.72Å; V511-F588 HydrophobicContact CB-CG 4.02Å; V511-F588 HydrophobicContact CB-CZ 3.83Å; V511-F588 HydrophobicContact CG1-CB 3.91Å; V511-F588 HydrophobicContact CG1-CD1 3.6Å; V511-F588 HydrophobicContact CG1-CD2 3.67Å; V511-F588 HydrophobicContact CG1-CE1 4.01Å; V511-F588 HydrophobicContact CG1-CE2 4.08Å; V511-F588 HydrophobicContact CG1-CG 3.42Å; V511-F588 VanDerWaalsContact CG1-CG 3.42Å; V511-F588 HydrophobicContact CG1-CZ 4.24Å; V511-F588 HydrophobicContact CG2-CD2 4.24Å; V511-F588 HydrophobicContact CG2-CE2 4.22Å
512	T	83.8	Confident	69.1	Low	40 Å²	40	68 Å²	68	25%	0.245	36%	0.364	C	S	.	.	H	α-helix	trans	-58	-40.8	168.7	-62.4	0	0	0	0	110.9	T508 D509 I515 S516 F588	T508-T512 HydrophobicContact CG2-CG2 3.81Å; D509-T512 VanDerWaalsContact CG-OG1 3.28Å; D509-T512 PolarHBondContact O-N 3.43Å; D509-T512 WeakPolarHBondContact OD1-CB 3.41Å; D509-T512 PolarHBondContact OD1-N 3.39Å; D509-T512 PolarHBondContact OD1-OG1 3.42Å; D509-T512 WeakPolarHBondContact OD2-CB 3.42Å; D509-T512 PolarHBondContact OD2-OG1 3.05Å; T512-I515 PolarHBondContact O-N 2.85Å; T512-S516 WeakPolarHBondContact O-CB 3.22Å; T512-S516 PolarHBondContact O-N 3.02Å; T512-S516 PolarHBondContact O-OG 2.98Å; T512-F588 VanDerWaalsContact OG1-CE1 3.25Å; T512-F588 WeakPolarHBondContact OG1-CE1 3.16Å; T512-F588 WeakPolarHBondContact OG1-CZ 3.46Å
513	F	83.7	Confident	70.6	Confident	14 Å²	14	62 Å²	62	6%	0.061	34%	0.337	C	S	.	.	H	α-helix	trans	-60.3	-51.9	175.5	-178.2	-93.2	0	0	0	111.1	R501 T508 D509 V511 I515 S516 Y517 P555 L556	R501-F513 VanDerWaalsContact CD-CE2 3.43Å; R501-F513 HydrophobicContact CG-CE2 4.17Å; R501-F513 HydrophobicContact CG-CZ 4.22Å; R501-F513 VanDerWaalsContact NE-CE2 3.33Å; R501-F513 VanDerWaalsContact NE-CZ 3.27Å; R501-F513 VanDerWaalsContact NH2-CD1 3.28Å; T508-F513 HydrophobicContact CG2-CB 4.36Å; D509-F513 WeakPolarHBondContact O-CB 3.33Å; D509-F513 PolarHBondContact O-N 2.98Å; V511-F513 VanDerWaalsContact C-N 3.25Å; V511-F513 PolarHBondContact O-N 2.84Å; F513-I515 PolarHBondContact O-N 2.92Å; F513-S516 PolarHBondContact O-N 3.05Å; F513-Y517 HydrophobicContact CE1-CD2 4.39Å; F513-Y517 HydrophobicContact CE1-CG 4.48Å; F513-Y517 HydrophobicContact CZ-CD2 4.37Å; F513-Y517 WeakPolarHBondContact O-CB 3.11Å; F513-Y517 PolarHBondContact O-N 3.44Å; F513-P555 HydrophobicContact CE1-CG 3.97Å; F513-P555 VanDerWaalsContact CE1-O 3.28Å; F513-P555 WeakPolarHBondContact CE1-O 3.49Å; F513-P555 HydrophobicContact CZ-CB 4.43Å; F513-P555 HydrophobicContact CZ-CG 3.82Å; F513-L556 HydrophobicContact CD1-CD2 4.03Å; F513-L556 HydrophobicContact CD1-CG 4.11Å; F513-L556 HydrophobicContact CE1-CG 4.39Å
514	L	85.1	Confident	71.6	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-58.9	-46.6	178.4	-178.5	64.9	0	0	0	111.6	P510 V511 S516 Y517 L518 L528 M549 I554 L556 L564 I585	P510-L514 WeakPolarHBondContact O-CB 3.41Å; P510-L514 PolarHBondContact O-N 3.24Å; V511-L514 PolarHBondContact O-N 3.2Å; L514-S516 VanDerWaalsContact C-N 3.34Å; L514-S516 PolarHBondContact O-N 3.34Å; L514-Y517 PolarHBondContact O-N 2.85Å; L514-L518 HydrophobicContact CD1-CD1 4.38Å; L514-L518 HydrophobicContact CD1-CG 4.2Å; L514-L518 HydrophobicContact CG-CD1 4.16Å; L514-L518 HydrophobicContact CG-CG 4.36Å; L514-L518 WeakPolarHBondContact O-CB 3.29Å; L514-L518 VanDerWaalsContact O-CG 3.26Å; L514-L518 WeakPolarHBondContact O-CG 3.48Å; L514-L518 PolarHBondContact O-N 3.48Å; L514-L528 HydrophobicContact CD1-CD2 4.06Å; L514-L528 HydrophobicContact CD2-CD2 4.23Å; L514-M549 HydrophobicContact CD1-CE 4.34Å; L514-I554 HydrophobicContact CD1-CG2 4.43Å; L514-L556 HydrophobicContact CD1-CD1 4.3Å; L514-L564 HydrophobicContact CD2-CD1 4.07Å; L514-L564 HydrophobicContact CD2-CD2 3.96Å; L514-I585 HydrophobicContact CD2-CD1 4.33Å
515	I	81.1	Confident	73.1	Confident	21 Å²	21	59.3 Å²	59.3	11%	0.108	31%	0.306	C	S	.	.	H	α-helix	trans	-60.3	-44.6	177.9	-68.3	164.1	0	0	0	111.1	V511 T512 F513 S519 I585 F588 R589	V511-I515 HydrophobicContact CG1-CD1 4.03Å; V511-I515 WeakPolarHBondContact O-CB 3.37Å; V511-I515 WeakPolarHBondContact O-CD1 3.29Å; V511-I515 VanDerWaalsContact O-CG1 3.25Å; V511-I515 WeakPolarHBondContact O-CG1 3.5Å; V511-I515 PolarHBondContact O-N 2.97Å; T512-I515 PolarHBondContact O-N 2.85Å; F513-I515 PolarHBondContact O-N 2.92Å; I515-S519 WeakPolarHBondContact O-CB 3.27Å; I515-S519 PolarHBondContact O-N 3.21Å; I515-I585 HydrophobicContact CD1-CG2 4.06Å; I515-I585 HydrophobicContact CG1-CD1 4.48Å; I515-I585 HydrophobicContact CG1-CG2 3.87Å; I515-F588 HydrophobicContact CD1-CD1 3.55Å; I515-F588 HydrophobicContact CD1-CE1 4.12Å; I515-F588 HydrophobicContact CD1-CG 4.46Å; I515-R589 HydrophobicContact CD1-CG 4.01Å
516	S	74.6	Confident	74.4	Confident	47 Å²	47	55.1 Å²	55.1	33%	0.329	29%	0.292	S	S	.	.	H	α-helix	trans	-68.1	-37.3	179.4	-58.5	0	0	0	0	111.8	T512 F513 L514 R520	T512-S516 WeakPolarHBondContact O-CB 3.22Å; T512-S516 PolarHBondContact O-N 3.02Å; T512-S516 PolarHBondContact O-OG 2.98Å; F513-S516 PolarHBondContact O-N 3.05Å; L514-S516 VanDerWaalsContact C-N 3.34Å; L514-S516 PolarHBondContact O-N 3.34Å; S516-R520 WeakPolarHBondContact O-CB 3.27Å; S516-R520 PolarHBondContact O-N 3.46Å
517	Y	79.4	Confident	75.6	Confident	22 Å²	22	54 Å²	54	9%	0.086	28%	0.281	C	S	.	.	H	α-helix	trans	-63.4	-56.3	174.6	177.9	-93.3	0	0	0	110.2	F513 L514 S519 R520 H521 M523 I554 P555	F513-Y517 HydrophobicContact CE1-CD2 4.39Å; F513-Y517 HydrophobicContact CE1-CG 4.48Å; F513-Y517 HydrophobicContact CZ-CD2 4.37Å; F513-Y517 WeakPolarHBondContact O-CB 3.11Å; F513-Y517 PolarHBondContact O-N 3.44Å; L514-Y517 PolarHBondContact O-N 2.85Å; Y517-S519 VanDerWaalsContact C-N 3.29Å; Y517-S519 PolarHBondContact O-N 3.39Å; Y517-R520 PolarHBondContact O-N 3Å; Y517-H521 AromaticContact CD2-CD2 3.38Å; Y517-H521 WeakPolarHBondContact CD2-CD2 3.5Å; Y517-H521 AromaticContact CD2-NE2 3.49Å; Y517-H521 WeakPolarHBondContact CD2-NE2 3.31Å; Y517-H521 AromaticContact CE2-CD2 3.28Å; Y517-H521 WeakPolarHBondContact CE2-CD2 3.44Å; Y517-H521 AromaticContact CE2-NE2 3.18Å; Y517-H521 WeakPolarHBondContact CE2-NE2 3.47Å; Y517-H521 AromaticContact CG-CD2 3.79Å; Y517-H521 AromaticContact CZ-CD2 3.63Å; Y517-H521 AromaticContact CZ-NE2 3.86Å; Y517-H521 PolarHBondContact O-CD2 2.85Å; Y517-H521 PolarHBondContact O-N 2.87Å; Y517-M523 HydrophobicContact CE1-CE 3.95Å; Y517-I554 HydrophobicContact CD1-CG2 4.26Å; Y517-I554 HydrophobicContact CE1-CG1 4.32Å; Y517-I554 HydrophobicContact CE1-CG2 3.98Å; Y517-P555 HydrophobicContact CD2-CG 3.85Å; Y517-P555 HydrophobicContact CE2-CG 3.55Å
518	L	79	Confident	76.9	Confident	10 Å²	10	45.1 Å²	45.1	5%	0.052	24%	0.242	C	C	.	.	H	α-helix	trans	-52.8	-46.8	176.5	-69.2	179.7	0	0	0	111.8	L514 R520 H521 G522 M523 L525 L528	L514-L518 HydrophobicContact CD1-CD1 4.38Å; L514-L518 HydrophobicContact CD1-CG 4.2Å; L514-L518 HydrophobicContact CG-CD1 4.16Å; L514-L518 HydrophobicContact CG-CG 4.36Å; L514-L518 WeakPolarHBondContact O-CB 3.29Å; L514-L518 VanDerWaalsContact O-CG 3.26Å; L514-L518 WeakPolarHBondContact O-CG 3.48Å; L514-L518 PolarHBondContact O-N 3.48Å; L518-R520 PolarHBondContact O-N 2.61Å; L518-H521 CarbonylContact O-C 3.42Å; L518-H521 PolarHBondContact O-N 3.06Å; L518-G522 PolarHBondContact O-N 3.16Å; L518-G522 VanDerWaalsContact O-N 3.09Å; L518-M523 CarbonylContact C-O 3.54Å; L518-M523 HydrophobicContact CD2-CB 3.9Å; L518-M523 HydrophobicContact CD2-CE 3.53Å; L518-M523 PolarHBondContact O-N 2.79Å; L518-L525 HydrophobicContact CD1-CD1 3.68Å; L518-L528 HydrophobicContact CD1-CD2 4.14Å; L518-L528 HydrophobicContact CD2-CB 3.96Å; L518-L528 HydrophobicContact CD2-CD2 4.19Å; L518-L528 HydrophobicContact CD2-CG 4.47Å
519	S	70.7	Confident	77.8	Confident	91 Å²	91	43 Å²	43	64%	0.636	23%	0.228	S	C	*	.	H	α-helix	trans	-64.3	-37.8	177.7	-165.8	0	0	0	0	113.5	I515 Y517	I515-S519 WeakPolarHBondContact O-CB 3.27Å; I515-S519 PolarHBondContact O-N 3.21Å; Y517-S519 VanDerWaalsContact C-N 3.29Å; Y517-S519 PolarHBondContact O-N 3.39Å
520	R	67.1	Low	77.9	Confident	145 Å²	145	43.5 Å²	43.5	55%	0.547	23%	0.228	S	C	.	.	H	α-helix	trans	-73.7	-32.8	179.1	-172.1	-176.3	-59.4	125.3	3.5	112.4	I496 S516 Y517 L518	I496-R520 HydrophobicContact CD1-CG 4.1Å; S516-R520 WeakPolarHBondContact O-CB 3.27Å; S516-R520 PolarHBondContact O-N 3.46Å; Y517-R520 PolarHBondContact O-N 3Å; L518-R520 PolarHBondContact O-N 2.61Å
521	H	60.1	Low	77.8	Confident	39 Å²	39	44.8 Å²	44.8	18%	0.181	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	9	177.8	-67.7	-80.7	0	0	0	113.2	T470 Y517 L518 M523	T470-H521 PolarHBondContact OG1-CE1 2.76Å; T470-H521 PolarHBondContact OG1-ND1 3.43Å; Y517-H521 AromaticContact CD2-CD2 3.38Å; Y517-H521 WeakPolarHBondContact CD2-CD2 3.5Å; Y517-H521 AromaticContact CD2-NE2 3.49Å; Y517-H521 WeakPolarHBondContact CD2-NE2 3.31Å; Y517-H521 AromaticContact CE2-CD2 3.28Å; Y517-H521 WeakPolarHBondContact CE2-CD2 3.44Å; Y517-H521 AromaticContact CE2-NE2 3.18Å; Y517-H521 WeakPolarHBondContact CE2-NE2 3.47Å; Y517-H521 AromaticContact CG-CD2 3.79Å; Y517-H521 AromaticContact CZ-CD2 3.63Å; Y517-H521 AromaticContact CZ-NE2 3.86Å; Y517-H521 PolarHBondContact O-CD2 2.85Å; Y517-H521 PolarHBondContact O-N 2.87Å; L518-H521 CarbonylContact O-C 3.42Å; L518-H521 PolarHBondContact O-N 3.06Å; H521-M523 HydrophobicContact CB-CG 4.24Å; H521-M523 PolarHBondContact O-N 3.03Å; H521-M523 VanDerWaalsContact O-N 3.09Å
522	G	59.2	Low	77.8	Confident	58 Å²	58	44.6 Å²	44.6	60%	0.598	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.9	10.7	178.1	0	0	0	0	0	115.2	L518	L518-G522 PolarHBondContact O-N 3.16Å; L518-G522 VanDerWaalsContact O-N 3.09Å
523	M	73.2	Confident	78.2	Confident	39 Å²	39	42.8 Å²	42.8	19%	0.192	22%	0.223	C	C	.	.			trans	-86	131.7	-177.2	-58.1	-159.8	-52.5	0	0	110.4	Y517 L518 H521	Y517-M523 HydrophobicContact CE1-CE 3.95Å; L518-M523 CarbonylContact C-O 3.54Å; L518-M523 HydrophobicContact CD2-CB 3.9Å; L518-M523 HydrophobicContact CD2-CE 3.53Å; L518-M523 PolarHBondContact O-N 2.79Å; H521-M523 HydrophobicContact CB-CG 4.24Å; H521-M523 PolarHBondContact O-N 3.03Å; H521-M523 VanDerWaalsContact O-N 3.09Å
524	R	75	Confident	78	Confident	158 Å²	158	46.5 Å²	46.5	60%	0.596	25%	0.248	S	C	*	.			trans	-79.1	159.5	167.6	-52.1	167.6	-64.5	169.1	3.6	108.8	L526 D527 L528	R524-L526 PolarHBondContact O-N 2.81Å; R524-D527 WeakPolarHBondContact CA-OD2 3.42Å; R524-D527 WeakPolarHBondContact CB-OD2 3.33Å; R524-D527 WeakPolarHBondContact CG-OD2 3.49Å; R524-D527 IonicContact CZ-OD1 3.6Å; R524-D527 IonicContact CZ-OD2 2.88Å; R524-D527 PolarHBondContact N-OD2 3.47Å; R524-D527 IonicContact NE-OD1 2.9Å; R524-D527 PolarHBondContact NE-OD1 3.24Å; R524-D527 IonicContact NE-OD2 3.97Å; R524-D527 PolarHBondContact NE-OD2 3.35Å; R524-D527 IonicContact NH2-OD1 2.66Å; R524-D527 PolarHBondContact NH2-OD1 2.93Å; R524-D527 IonicContact NH2-OD2 2.85Å; R524-D527 WeakPolarHBondContact O-CB 3.45Å; R524-D527 PolarHBondContact O-N 3.1Å; R524-L528 PolarHBondContact O-N 2.88Å; R524-L528 VanDerWaalsContact O-N 3.14Å
525	L	80.8	Confident	77.8	Confident	28 Å²	28	53.5 Å²	53.5	15%	0.147	28%	0.281	C	S	.	.	H	α-helix	trans	-61.4	-27.6	177.1	-168.2	64.6	0	0	0	113	L518 L528 Y529 L581 A582 I585	L518-L525 HydrophobicContact CD1-CD1 3.68Å; L525-L528 HydrophobicContact CD1-CD2 4.1Å; L525-Y529 PolarHBondContact O-N 3.33Å; L525-L581 HydrophobicContact CD1-CD1 4.47Å; L525-L581 HydrophobicContact CD1-CD2 3.95Å; L525-L581 HydrophobicContact CD1-CG 4.03Å; L525-L581 HydrophobicContact CD2-CG 4.26Å; L525-L581 HydrophobicContact CG-CD2 4.2Å; L525-L581 HydrophobicContact CG-CG 4.22Å; L525-A582 HydrophobicContact CD2-CB 4.12Å; L525-I585 HydrophobicContact CD1-CG1 4.13Å; L525-I585 HydrophobicContact CD2-CB 3.79Å; L525-I585 HydrophobicContact CD2-CG1 3.88Å; L525-I585 HydrophobicContact CD2-CG2 4Å
526	L	76.9	Confident	77.9	Confident	54 Å²	54	58 Å²	58	28%	0.283	30%	0.301	S	S	.	.	H	α-helix	trans	-68.3	-36.5	172.1	-175.9	63.6	0	0	0	112.3	R524 Y529 H530 Y578	R524-L526 PolarHBondContact O-N 2.81Å; L526-Y529 PolarHBondContact O-N 2.87Å; L526-H530 PolarHBondContact O-CD2 3.32Å; L526-H530 PolarHBondContact O-N 3.27Å; L526-Y578 HydrophobicContact CB-CE2 3.95Å; L526-Y578 HydrophobicContact CD1-CD1 4.25Å; L526-Y578 HydrophobicContact CD1-CD2 4.07Å; L526-Y578 HydrophobicContact CD1-CE1 4.04Å; L526-Y578 HydrophobicContact CD1-CE2 3.86Å; L526-Y578 HydrophobicContact CD1-CG 4.27Å
527	D	78.4	Confident	78.4	Confident	50 Å²	50	59.3 Å²	59.3	27%	0.267	31%	0.308	S	S	.	.	H	α-helix	trans	-68.9	-40.6	179	-51.1	-41	0	0	0	109.8	R524 H530 L531	R524-D527 WeakPolarHBondContact CA-OD2 3.42Å; R524-D527 WeakPolarHBondContact CB-OD2 3.33Å; R524-D527 WeakPolarHBondContact CG-OD2 3.49Å; R524-D527 IonicContact CZ-OD1 3.6Å; R524-D527 IonicContact CZ-OD2 2.88Å; R524-D527 PolarHBondContact N-OD2 3.47Å; R524-D527 IonicContact NE-OD1 2.9Å; R524-D527 PolarHBondContact NE-OD1 3.24Å; R524-D527 IonicContact NE-OD2 3.97Å; R524-D527 PolarHBondContact NE-OD2 3.35Å; R524-D527 IonicContact NH2-OD1 2.66Å; R524-D527 PolarHBondContact NH2-OD1 2.93Å; R524-D527 IonicContact NH2-OD2 2.85Å; R524-D527 WeakPolarHBondContact O-CB 3.45Å; R524-D527 PolarHBondContact O-N 3.1Å; D527-H530 PolarHBondContact O-N 2.7Å; D527-L531 WeakPolarHBondContact O-CB 3.41Å; D527-L531 PolarHBondContact O-N 3.36Å
528	L	84.4	Confident	78.7	Confident	0 Å²	0	60 Å²	60	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-57.7	-48.6	167.8	175.9	65.5	0	0	0	111.5	L514 L518 R524 L525 H530 L531 L532 M549 I554	L514-L528 HydrophobicContact CD1-CD2 4.06Å; L514-L528 HydrophobicContact CD2-CD2 4.23Å; L518-L528 HydrophobicContact CD1-CD2 4.14Å; L518-L528 HydrophobicContact CD2-CB 3.96Å; L518-L528 HydrophobicContact CD2-CD2 4.19Å; L518-L528 HydrophobicContact CD2-CG 4.47Å; R524-L528 PolarHBondContact O-N 2.88Å; R524-L528 VanDerWaalsContact O-N 3.14Å; L525-L528 HydrophobicContact CD1-CD2 4.1Å; L528-H530 VanDerWaalsContact C-N 3.33Å; L528-H530 PolarHBondContact O-N 3.04Å; L528-L531 VanDerWaalsContact O-CB 3.3Å; L528-L531 WeakPolarHBondContact O-CB 3.34Å; L528-L531 PolarHBondContact O-N 3.18Å; L528-L531 VanDerWaalsContact O-N 3.08Å; L528-L532 HydrophobicContact CD1-CD1 3.9Å; L528-L532 HydrophobicContact CD1-CG 4.02Å; L528-L532 HydrophobicContact CD2-CD1 4.45Å; L528-L532 HydrophobicContact CG-CD1 3.94Å; L528-L532 HydrophobicContact CG-CG 4.36Å; L528-L532 WeakPolarHBondContact O-CG 3.22Å; L528-L532 PolarHBondContact O-N 3.28Å; L528-M549 HydrophobicContact CD1-SD 4.18Å; L528-I554 HydrophobicContact CD1-CD1 3.32Å
529	Y	87.9	Confident	79.2	Confident	7 Å²	7	62.5 Å²	62.5	3%	0.027	34%	0.337	C	S	.	.	H	α-helix	trans	-62.5	-40.6	-176.6	-167.8	-89.8	0	0	0	112.1	L525 L526 L531 L532 D533 G538 V539 I540 I576 T577 Y578 L581	L525-Y529 PolarHBondContact O-N 3.33Å; L526-Y529 PolarHBondContact O-N 2.87Å; Y529-L531 VanDerWaalsContact C-N 3.33Å; Y529-L531 PolarHBondContact O-N 3.17Å; Y529-L532 CarbonylContact O-C 3.34Å; Y529-L532 PolarHBondContact O-N 3.27Å; Y529-D533 HydrophobicContact CD1-CB 4.43Å; Y529-D533 HydrophobicContact CE1-CB 4.08Å; Y529-D533 WeakPolarHBondContact O-CB 3.28Å; Y529-D533 PolarHBondContact O-N 3.41Å; Y529-G538 PolarHBondContact OH-O 3.22Å; Y529-V539 PolarHBondContact OH-N 3.38Å; Y529-I540 HydrophobicContact CD2-CD1 3.92Å; Y529-I540 HydrophobicContact CE1-CD1 4.3Å; Y529-I540 HydrophobicContact CE2-CD1 3.45Å; Y529-I540 VanDerWaalsContact CE2-CD1 3.45Å; Y529-I540 HydrophobicContact CE2-CG1 4.14Å; Y529-I576 PolarHBondContact OH-O 3.25Å; Y529-T577 VanDerWaalsContact CE2-C 3.48Å; Y529-T577 WeakPolarHBondContact OH-CA 3.49Å; Y529-Y578 HydrophobicContact CD1-CD2 4.36Å; Y529-Y578 HydrophobicContact CD1-CG 4.44Å; Y529-Y578 HydrophobicContact CD2-CD2 4.17Å; Y529-Y578 AromaticContact CG-CD2 3.8Å; Y529-Y578 HydrophobicContact CG-CD2 3.8Å; Y529-Y578 HydrophobicContact CG-CG 4.25Å; Y529-Y578 VanDerWaalsContact CZ-N 3.25Å; Y529-Y578 PolarHBondContact OH-N 2.86Å; Y529-L581 HydrophobicContact CD2-CD2 3.87Å
530	H	84.6	Confident	80.3	Confident	76 Å²	76	58.2 Å²	58.2	35%	0.352	31%	0.306	S	S	.	.	H	α-helix	trans	-67.6	-29.8	173.6	-70.8	-37.5	0	0	0	113.7	L526 D527 L528 L532 D533	L526-H530 PolarHBondContact O-CD2 3.32Å; L526-H530 PolarHBondContact O-N 3.27Å; D527-H530 PolarHBondContact O-N 2.7Å; L528-H530 VanDerWaalsContact C-N 3.33Å; L528-H530 PolarHBondContact O-N 3.04Å; H530-L532 VanDerWaalsContact C-N 3.31Å; H530-D533 CarbonylContact O-C 3.5Å; H530-D533 PolarHBondContact O-N 3.34Å
531	L	82	Confident	81.5	Confident	37 Å²	37	52.4 Å²	52.4	19%	0.194	29%	0.288	C	S	.	.	H	α-helix	trans	-67.7	-33.3	172.2	-166.1	75.5	0	0	0	111.9	T442 D527 L528 Y529 N552 I554	T442-L531 HydrophobicContact CG2-CD1 4.42Å; D527-L531 WeakPolarHBondContact O-CB 3.41Å; D527-L531 PolarHBondContact O-N 3.36Å; L528-L531 VanDerWaalsContact O-CB 3.3Å; L528-L531 WeakPolarHBondContact O-CB 3.34Å; L528-L531 PolarHBondContact O-N 3.18Å; L528-L531 VanDerWaalsContact O-N 3.08Å; Y529-L531 VanDerWaalsContact C-N 3.33Å; Y529-L531 PolarHBondContact O-N 3.17Å; L531-N552 WeakPolarHBondContact CD1-OD1 3.36Å; L531-N552 HydrophobicContact CD2-CB 3.76Å; L531-N552 HydrophobicContact CG-CB 4.24Å; L531-N552 WeakPolarHBondContact CG-OD1 3.35Å; L531-N552 PolarHBondContact O-ND2 3.28Å; L531-I554 HydrophobicContact CD2-CD1 4.49Å
532	L	87.8	Confident	83	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-90.2	-5.7	176.2	-57.6	177.7	0	0	0	113.6	L528 Y529 H530 I540 F545 R548 M549	L528-L532 HydrophobicContact CD1-CD1 3.9Å; L528-L532 HydrophobicContact CD1-CG 4.02Å; L528-L532 HydrophobicContact CD2-CD1 4.45Å; L528-L532 HydrophobicContact CG-CD1 3.94Å; L528-L532 HydrophobicContact CG-CG 4.36Å; L528-L532 WeakPolarHBondContact O-CG 3.22Å; L528-L532 PolarHBondContact O-N 3.28Å; Y529-L532 CarbonylContact O-C 3.34Å; Y529-L532 PolarHBondContact O-N 3.27Å; H530-L532 VanDerWaalsContact C-N 3.31Å; L532-I540 HydrophobicContact CB-CD1 3.73Å; L532-I540 WeakPolarHBondContact O-CD1 3.28Å; L532-F545 HydrophobicContact CD1-CD2 3.78Å; L532-F545 HydrophobicContact CD1-CE2 3.51Å; L532-F545 HydrophobicContact CD1-CZ 4.1Å; L532-R548 HydrophobicContact CD2-CB 3.63Å; L532-R548 WeakPolarHBondContact O-CD 3.47Å; L532-R548 PolarHBondContact O-NH1 3.46Å; L532-M549 HydrophobicContact CD1-CG 4.15Å; L532-M549 HydrophobicContact CD1-SD 3.69Å; L532-M549 HydrophobicContact CD2-CG 3.85Å; L532-M549 HydrophobicContact CD2-SD 3.88Å; L532-M549 HydrophobicContact CG-SD 4.36Å
533	D	90.7	Very high	84.4	Confident	3 Å²	3	53.8 Å²	53.8	2%	0.016	29%	0.291	C	S	.	.			trans	-137.2	70.1	174.8	-175.6	15.5	0	0	0	111.1	Y529 H530 Q535 Q536 T537 G538 I540	Y529-D533 HydrophobicContact CD1-CB 4.43Å; Y529-D533 HydrophobicContact CE1-CB 4.08Å; Y529-D533 WeakPolarHBondContact O-CB 3.28Å; Y529-D533 PolarHBondContact O-N 3.41Å; H530-D533 CarbonylContact O-C 3.5Å; H530-D533 PolarHBondContact O-N 3.34Å; D533-Q535 PolarHBondContact O-N 3.44Å; D533-Q536 PolarHBondContact O-N 3.25Å; D533-Q536 VanDerWaalsContact O-N 3.1Å; D533-Q536 WeakPolarHBondContact OD1-CA 3.22Å; D533-Q536 PolarHBondContact OD1-N 2.75Å; D533-Q536 VanDerWaalsContact OD2-C 3.28Å; D533-Q536 VanDerWaalsContact OD2-CA 3.29Å; D533-Q536 WeakPolarHBondContact OD2-CA 3.11Å; D533-T537 VanDerWaalsContact CG-N 3.35Å; D533-T537 PolarHBondContact OD1-N 2.92Å; D533-T537 PolarHBondContact OD1-OG1 3.16Å; D533-T537 PolarHBondContact OD2-N 2.87Å; D533-T537 PolarHBondContact OD2-OG1 2.94Å; D533-G538 PolarHBondContact OD2-N 3.2Å; D533-I540 HydrophobicContact CB-CD1 3.97Å; D533-I540 HydrophobicContact CB-CG1 3.98Å
534	P	78.9	Confident	85.3	Confident	92 Å²	92	55 Å²	55	60%	0.597	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-22.1	-178.3	27.7	-35.7	0	0	0	113	Q536	P534-Q536 VanDerWaalsContact C-N 3.34Å
535	Q	82.6	Confident	86	Confident	146 Å²	146	47.5 Å²	47.5	68%	0.682	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-7.5	176.8	-71.5	170.7	-17	0	0	112.6	D533 T537	D533-Q535 PolarHBondContact O-N 3.44Å; Q535-T537 VanDerWaalsContact C-N 3.26Å; Q535-T537 HydrophobicContact CB-CG2 3.93Å; Q535-T537 PolarHBondContact O-N 3.23Å
536	Q	81.5	Confident	86.4	Confident	115 Å²	115	48.2 Å²	48.2	54%	0.537	27%	0.274	S	S	.	.			trans	54.3	39.2	-177.9	-53.4	-162.6	-43.7	0	0	113.1	D533 P534 G538	D533-Q536 PolarHBondContact O-N 3.25Å; D533-Q536 VanDerWaalsContact O-N 3.1Å; D533-Q536 WeakPolarHBondContact OD1-CA 3.22Å; D533-Q536 PolarHBondContact OD1-N 2.75Å; D533-Q536 VanDerWaalsContact OD2-C 3.28Å; D533-Q536 VanDerWaalsContact OD2-CA 3.29Å; D533-Q536 WeakPolarHBondContact OD2-CA 3.11Å; P534-Q536 VanDerWaalsContact C-N 3.34Å; Q536-G538 PolarHBondContact O-N 3.29Å
537	T	85.2	Confident	86.8	Confident	76 Å²	76	50.8 Å²	50.8	47%	0.466	28%	0.284	S	S	.	.			trans	-65.8	-22.4	177	61.2	0	0	0	0	112.7	D533 Q535 V539	D533-T537 VanDerWaalsContact CG-N 3.35Å; D533-T537 PolarHBondContact OD1-N 2.92Å; D533-T537 PolarHBondContact OD1-OG1 3.16Å; D533-T537 PolarHBondContact OD2-N 2.87Å; D533-T537 PolarHBondContact OD2-OG1 2.94Å; Q535-T537 VanDerWaalsContact C-N 3.26Å; Q535-T537 HydrophobicContact CB-CG2 3.93Å; Q535-T537 PolarHBondContact O-N 3.23Å; T537-V539 PolarHBondContact O-N 3Å; T537-V539 PolarHBondContact OG1-N 3.49Å; T537-V539 PolarHBondContact OG1-O 3.4Å
538	G	85.9	Confident	87.2	Confident	36 Å²	36	49.7 Å²	49.7	37%	0.371	28%	0.277	S	S	.	.	S	Bend	trans	79.3	-2.7	-177.2	0	0	0	0	0	114.4	Y529 D533 Q536	Y529-G538 PolarHBondContact OH-O 3.22Å; D533-G538 PolarHBondContact OD2-N 3.2Å; Q536-G538 PolarHBondContact O-N 3.29Å
539	V	90.2	Very high	87.4	Confident	63 Å²	63	49.7 Å²	49.7	38%	0.382	28%	0.277	S	S	.	.			trans	-144	127.6	179.6	-170.6	0	0	0	0	109.6	Y529 T537 K575 T577	Y529-V539 PolarHBondContact OH-N 3.38Å; T537-V539 PolarHBondContact O-N 3Å; T537-V539 PolarHBondContact OG1-N 3.49Å; T537-V539 PolarHBondContact OG1-O 3.4Å; V539-K575 HydrophobicContact CG1-CB 3.7Å; V539-K575 HydrophobicContact CG1-CG 3.79Å; V539-T577 HydrophobicContact CG2-CG2 4.27Å
540	I	93	Very high	86.9	Confident	0 Å²	0	54 Å²	54	0%	0	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-118.3	132.7	178.9	-47.5	166.5	0	0	0	108.4	Y529 L532 D533 Q544 F545 I576	Y529-I540 HydrophobicContact CD2-CD1 3.92Å; Y529-I540 HydrophobicContact CE1-CD1 4.3Å; Y529-I540 HydrophobicContact CE2-CD1 3.45Å; Y529-I540 VanDerWaalsContact CE2-CD1 3.45Å; Y529-I540 HydrophobicContact CE2-CG1 4.14Å; L532-I540 HydrophobicContact CB-CD1 3.73Å; L532-I540 WeakPolarHBondContact O-CD1 3.28Å; D533-I540 HydrophobicContact CB-CD1 3.97Å; D533-I540 HydrophobicContact CB-CG1 3.98Å; I540-Q544 HydrophobicContact CG2-CB 3.62Å; I540-F545 HydrophobicContact CG2-CB 4.11Å; I540-I576 HydrophobicContact CB-CB 4.47Å; I540-I576 PolarHBondContact N-O 2.84Å; I540-I576 WeakPolarHBondContact O-CA 3.4Å; I540-I576 WeakPolarHBondContact O-CB 3.17Å; I540-I576 PolarHBondContact O-N 2.84Å
541	S	93.4	Very high	86.6	Confident	23 Å²	23	57.7 Å²	57.7	16%	0.161	31%	0.314	C	S	.	.			trans	-76.3	161.3	172.3	63.5	0	0	0	0	112.2	A543 Q544 F545 D574	S541-A543 PolarHBondContact O-N 2.93Å; S541-Q544 PolarHBondContact O-N 2.94Å; S541-Q544 WeakPolarHBondContact OG-CB 3.48Å; S541-Q544 VanDerWaalsContact OG-CG 3.28Å; S541-Q544 WeakPolarHBondContact OG-CG 3.39Å; S541-Q544 PolarHBondContact OG-N 2.9Å; S541-F545 WeakPolarHBondContact O-CB 3.41Å; S541-F545 PolarHBondContact O-N 2.89Å; S541-D574 WeakPolarHBondContact CA-O 3.28Å; S541-D574 WeakPolarHBondContact CA-OD1 3.38Å; S541-D574 VanDerWaalsContact CB-OD1 3.25Å; S541-D574 WeakPolarHBondContact CB-OD1 3.29Å; S541-D574 WeakPolarHBondContact CB-OD2 3.47Å
542	E	90.9	Very high	86.5	Confident	55 Å²	55	58.5 Å²	58.5	26%	0.257	32%	0.319	S	S	.	.	H	α-helix	trans	-57.8	-39.5	176.4	-64	-168.2	177.9	0	0	111.6	F545 T546 I565 D574	E542-F545 PolarHBondContact O-N 3.29Å; E542-T546 WeakPolarHBondContact O-CB 3.11Å; E542-T546 PolarHBondContact O-N 2.66Å; E542-T546 PolarHBondContact O-OG1 2.9Å; E542-I565 HydrophobicContact CB-CG2 3.99Å; E542-I565 HydrophobicContact CG-CG2 3.51Å; E542-D574 PolarHBondContact N-OD1 3.06Å
543	A	88.8	Confident	85.7	Confident	71 Å²	71	62.1 Å²	62.1	59%	0.587	34%	0.336	S	S	*	.	H	α-helix	trans	-63.9	-48.2	175.8	0	0	0	0	0	111.5	S541 F545 T546 E547	S541-A543 PolarHBondContact O-N 2.93Å; A543-F545 VanDerWaalsContact C-N 3.34Å; A543-F545 PolarHBondContact O-N 2.89Å; A543-T546 PolarHBondContact O-N 2.92Å; A543-E547 WeakPolarHBondContact O-CB 3.43Å; A543-E547 PolarHBondContact O-N 3.36Å
544	Q	91.4	Very high	85.1	Confident	65 Å²	65	62.3 Å²	62.3	30%	0.304	34%	0.336	S	S	.	.	H	α-helix	trans	-64.5	-37.7	175.9	-74.7	176.9	4.5	0	0	112	I540 S541 R548	I540-Q544 HydrophobicContact CG2-CB 3.62Å; S541-Q544 PolarHBondContact O-N 2.94Å; S541-Q544 WeakPolarHBondContact OG-CB 3.48Å; S541-Q544 VanDerWaalsContact OG-CG 3.28Å; S541-Q544 WeakPolarHBondContact OG-CG 3.39Å; S541-Q544 PolarHBondContact OG-N 2.9Å; Q544-R548 WeakPolarHBondContact O-CB 3.49Å; Q544-R548 WeakPolarHBondContact O-CD 3.19Å; Q544-R548 WeakPolarHBondContact O-CG 3.45Å; Q544-R548 PolarHBondContact O-N 3.43Å
545	F	91.6	Very high	84.7	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-62.2	-48.9	176.2	-172.5	-83.6	0	0	0	109.9	L532 I540 S541 E542 A543 R548 M549 L564 I565 I568 I576	L532-F545 HydrophobicContact CD1-CD2 3.78Å; L532-F545 HydrophobicContact CD1-CE2 3.51Å; L532-F545 HydrophobicContact CD1-CZ 4.1Å; I540-F545 HydrophobicContact CG2-CB 4.11Å; S541-F545 WeakPolarHBondContact O-CB 3.41Å; S541-F545 PolarHBondContact O-N 2.89Å; E542-F545 PolarHBondContact O-N 3.29Å; A543-F545 VanDerWaalsContact C-N 3.34Å; A543-F545 PolarHBondContact O-N 2.89Å; F545-R548 PolarHBondContact O-N 3.37Å; F545-M549 HydrophobicContact CD1-CG 3.8Å; F545-M549 HydrophobicContact CE1-CE 4.09Å; F545-M549 HydrophobicContact CE1-CG 3.68Å; F545-M549 HydrophobicContact CE1-SD 4.09Å; F545-M549 HydrophobicContact CG-CG 4.42Å; F545-M549 HydrophobicContact CZ-CE 4.3Å; F545-M549 HydrophobicContact CZ-CG 4.2Å; F545-M549 HydrophobicContact CZ-SD 4.1Å; F545-M549 VanDerWaalsContact O-CB 3.27Å; F545-M549 WeakPolarHBondContact O-CB 3.45Å; F545-M549 WeakPolarHBondContact O-CG 3.4Å; F545-M549 PolarHBondContact O-N 3.27Å; F545-L564 HydrophobicContact CE1-CD2 4.14Å; F545-L564 HydrophobicContact CZ-CD2 4.35Å; F545-I565 HydrophobicContact CD1-CD1 3.9Å; F545-I565 HydrophobicContact CD1-CG1 3.72Å; F545-I565 HydrophobicContact CE1-CG1 4.05Å; F545-I568 HydrophobicContact CE2-CD1 4.44Å; F545-I568 HydrophobicContact CZ-CD1 3.95Å; F545-I576 HydrophobicContact CB-CD1 3.81Å; F545-I576 HydrophobicContact CD1-CD1 4.49Å; F545-I576 HydrophobicContact CD2-CD1 3.78Å; F545-I576 HydrophobicContact CD2-CG2 4.19Å; F545-I576 HydrophobicContact CE2-CD1 4.48Å; F545-I576 HydrophobicContact CE2-CG2 4.36Å; F545-I576 HydrophobicContact CG-CD1 3.79Å
546	T	87.5	Confident	84.5	Confident	44 Å²	44	52.6 Å²	52.6	27%	0.27	29%	0.285	S	S	.	.	H	α-helix	trans	-60.1	-53	177.1	-53.9	0	0	0	0	111.7	E542 A543 R548 M549 I550 L561 I565	E542-T546 WeakPolarHBondContact O-CB 3.11Å; E542-T546 PolarHBondContact O-N 2.66Å; E542-T546 PolarHBondContact O-OG1 2.9Å; A543-T546 PolarHBondContact O-N 2.92Å; T546-R548 VanDerWaalsContact C-N 3.35Å; T546-R548 PolarHBondContact O-N 2.97Å; T546-M549 PolarHBondContact O-N 3.43Å; T546-I550 HydrophobicContact CG2-CD1 3.95Å; T546-I550 WeakPolarHBondContact O-CG1 3.5Å; T546-I550 PolarHBondContact O-N 2.94Å; T546-L561 HydrophobicContact CG2-CD1 4.19Å; T546-I565 WeakPolarHBondContact OG1-CD1 3.48Å
547	E	85.9	Confident	84.2	Confident	107 Å²	107	50.2 Å²	50.2	50%	0.5	28%	0.276	S	S	.	.	H	α-helix	trans	-56.3	-48.7	178.9	-170.9	-147.1	149.2	0	0	110.9	A543 I550 K551	A543-E547 WeakPolarHBondContact O-CB 3.43Å; A543-E547 PolarHBondContact O-N 3.36Å; E547-I550 PolarHBondContact O-N 3.18Å; E547-K551 WeakPolarHBondContact O-CB 3.15Å; E547-K551 PolarHBondContact O-N 3.36Å
548	R	87.3	Confident	83.7	Confident	28 Å²	28	51.2 Å²	51.2	11%	0.106	28%	0.284	C	S	.	.	H	α-helix	trans	-73.1	-31.1	-176.8	-65	172.8	-174.5	173.8	1	112.2	L532 Q544 F545 T546 N552	L532-R548 HydrophobicContact CD2-CB 3.63Å; L532-R548 WeakPolarHBondContact O-CD 3.47Å; L532-R548 PolarHBondContact O-NH1 3.46Å; Q544-R548 WeakPolarHBondContact O-CB 3.49Å; Q544-R548 WeakPolarHBondContact O-CD 3.19Å; Q544-R548 WeakPolarHBondContact O-CG 3.45Å; Q544-R548 PolarHBondContact O-N 3.43Å; F545-R548 PolarHBondContact O-N 3.37Å; T546-R548 VanDerWaalsContact C-N 3.35Å; T546-R548 PolarHBondContact O-N 2.97Å; R548-N552 VanDerWaalsContact O-CB 3.25Å; R548-N552 WeakPolarHBondContact O-CB 3.37Å; R548-N552 PolarHBondContact O-N 3.08Å; R548-N552 PolarHBondContact O-ND2 3.42Å
549	M	87.7	Confident	83.4	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-65.2	-44.5	172.6	-71.5	-79.4	-77.1	0	0	111.3	L514 L528 L532 F545 T546 Q553 I554 L556 L561 L564	L514-M549 HydrophobicContact CD1-CE 4.34Å; L528-M549 HydrophobicContact CD1-SD 4.18Å; L532-M549 HydrophobicContact CD1-CG 4.15Å; L532-M549 HydrophobicContact CD1-SD 3.69Å; L532-M549 HydrophobicContact CD2-CG 3.85Å; L532-M549 HydrophobicContact CD2-SD 3.88Å; L532-M549 HydrophobicContact CG-SD 4.36Å; F545-M549 HydrophobicContact CD1-CG 3.8Å; F545-M549 HydrophobicContact CE1-CE 4.09Å; F545-M549 HydrophobicContact CE1-CG 3.68Å; F545-M549 HydrophobicContact CE1-SD 4.09Å; F545-M549 HydrophobicContact CG-CG 4.42Å; F545-M549 HydrophobicContact CZ-CE 4.3Å; F545-M549 HydrophobicContact CZ-CG 4.2Å; F545-M549 HydrophobicContact CZ-SD 4.1Å; F545-M549 VanDerWaalsContact O-CB 3.27Å; F545-M549 WeakPolarHBondContact O-CB 3.45Å; F545-M549 WeakPolarHBondContact O-CG 3.4Å; F545-M549 PolarHBondContact O-N 3.27Å; T546-M549 PolarHBondContact O-N 3.43Å; M549-Q553 PolarHBondContact O-N 2.61Å; M549-I554 HydrophobicContact CE-CB 4.3Å; M549-I554 HydrophobicContact CE-CD1 4.3Å; M549-I554 HydrophobicContact CE-CG2 3.86Å; M549-I554 PolarHBondContact O-N 2.94Å; M549-I554 HydrophobicContact SD-CB 4.38Å; M549-I554 HydrophobicContact SD-CD1 3.48Å; M549-I554 WeakPolarHBondContact SD-CD1 2.95Å; M549-I554 HydrophobicContact SD-CG2 4.42Å; M549-L556 HydrophobicContact CE-CD1 3.24Å; M549-L561 HydrophobicContact CB-CD1 4.44Å; M549-L561 HydrophobicContact CB-CD2 3.78Å; M549-L561 HydrophobicContact CE-CD2 3.69Å; M549-L561 HydrophobicContact CG-CD2 4.02Å; M549-L564 HydrophobicContact CE-CD2 3.98Å
550	I	79	Confident	83.1	Confident	98 Å²	98	52.6 Å²	52.6	50%	0.503	28%	0.281	S	S	.	.	H	α-helix	trans	-66.7	-46.7	176.4	-65.4	168.8	0	0	0	110.7	T546 E547 N552 Q553 L561	T546-I550 HydrophobicContact CG2-CD1 3.95Å; T546-I550 WeakPolarHBondContact O-CG1 3.5Å; T546-I550 PolarHBondContact O-N 2.94Å; E547-I550 PolarHBondContact O-N 3.18Å; I550-N552 VanDerWaalsContact C-N 3.3Å; I550-N552 PolarHBondContact O-N 2.76Å; I550-Q553 WeakPolarHBondContact O-CA 3.25Å; I550-Q553 PolarHBondContact O-N 2.9Å; I550-L561 HydrophobicContact CD1-CD1 4.17Å; I550-L561 HydrophobicContact CG1-CD1 3.82Å
551	K	78	Confident	82.8	Confident	152 Å²	152	52.7 Å²	52.7	66%	0.661	28%	0.281	S	S	*	.	H	α-helix	trans	-61.3	-36.5	178.9	-175.8	176	-175.2	170	0	112.9	E547 Q553	E547-K551 WeakPolarHBondContact O-CB 3.15Å; E547-K551 PolarHBondContact O-N 3.36Å; K551-Q553 PolarHBondContact O-N 2.76Å
552	N	79.5	Confident	82.5	Confident	55 Å²	55	58.2 Å²	58.2	29%	0.294	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	8.9	173.1	-71.9	-69.1	0	0	0	113.4	L531 R548 I550 I554	L531-N552 WeakPolarHBondContact CD1-OD1 3.36Å; L531-N552 HydrophobicContact CD2-CB 3.76Å; L531-N552 HydrophobicContact CG-CB 4.24Å; L531-N552 WeakPolarHBondContact CG-OD1 3.35Å; L531-N552 PolarHBondContact O-ND2 3.28Å; R548-N552 VanDerWaalsContact O-CB 3.25Å; R548-N552 WeakPolarHBondContact O-CB 3.37Å; R548-N552 PolarHBondContact O-N 3.08Å; R548-N552 PolarHBondContact O-ND2 3.42Å; I550-N552 VanDerWaalsContact C-N 3.3Å; I550-N552 PolarHBondContact O-N 2.76Å; N552-I554 HydrophobicContact CB-CD1 4.42Å; N552-I554 HydrophobicContact CB-CG1 4.37Å; N552-I554 PolarHBondContact O-N 2.86Å; N552-I554 VanDerWaalsContact O-N 3.14Å
553	Q	71.3	Confident	82.3	Confident	76 Å²	76	60 Å²	60	36%	0.355	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	29.1	174.4	-55.5	179.4	-3	0	0	114.2	W498 M549 I550 K551 P555	W498-Q553 HydrophobicContact CZ2-CB 4.35Å; W498-Q553 PolarHBondContact NE1-O 2.71Å; M549-Q553 PolarHBondContact O-N 2.61Å; I550-Q553 WeakPolarHBondContact O-CA 3.25Å; I550-Q553 PolarHBondContact O-N 2.9Å; K551-Q553 PolarHBondContact O-N 2.76Å; Q553-P555 WeakPolarHBondContact O-CD 3.47Å
554	I	77.7	Confident	82.3	Confident	6 Å²	6	56.6 Å²	56.6	3%	0.031	29%	0.285	C	S	.	.			trans	-70.7	121.4	175.8	-62	171.2	0	0	0	106.8	L514 Y517 L528 L531 M549 N552 L556	L514-I554 HydrophobicContact CD1-CG2 4.43Å; Y517-I554 HydrophobicContact CD1-CG2 4.26Å; Y517-I554 HydrophobicContact CE1-CG1 4.32Å; Y517-I554 HydrophobicContact CE1-CG2 3.98Å; L528-I554 HydrophobicContact CD1-CD1 3.32Å; L531-I554 HydrophobicContact CD2-CD1 4.49Å; M549-I554 HydrophobicContact CE-CB 4.3Å; M549-I554 HydrophobicContact CE-CD1 4.3Å; M549-I554 HydrophobicContact CE-CG2 3.86Å; M549-I554 PolarHBondContact O-N 2.94Å; M549-I554 HydrophobicContact SD-CB 4.38Å; M549-I554 HydrophobicContact SD-CD1 3.48Å; M549-I554 WeakPolarHBondContact SD-CD1 2.95Å; M549-I554 HydrophobicContact SD-CG2 4.42Å; N552-I554 HydrophobicContact CB-CD1 4.42Å; N552-I554 HydrophobicContact CB-CG1 4.37Å; N552-I554 PolarHBondContact O-N 2.86Å; N552-I554 VanDerWaalsContact O-N 3.14Å; I554-L556 HydrophobicContact CG2-CD1 3.88Å; I554-L556 PolarHBondContact O-N 2.8Å
555	P	70.7	Confident	82.3	Confident	21 Å²	21	53.7 Å²	53.7	14%	0.136	27%	0.271	C	S	.	.			trans	-78.9	60.4	-165.3	30.4	-35.5	0	0	0	113.2	R501 F513 Y517 Q553	R501-P555 VanDerWaalsContact CZ-O 3.32Å; R501-P555 PolarHBondContact NE-O 3.38Å; R501-P555 PolarHBondContact NH2-O 3.37Å; F513-P555 HydrophobicContact CE1-CG 3.97Å; F513-P555 VanDerWaalsContact CE1-O 3.28Å; F513-P555 WeakPolarHBondContact CE1-O 3.49Å; F513-P555 HydrophobicContact CZ-CB 4.43Å; F513-P555 HydrophobicContact CZ-CG 3.82Å; Y517-P555 HydrophobicContact CD2-CG 3.85Å; Y517-P555 HydrophobicContact CE2-CG 3.55Å; Q553-P555 WeakPolarHBondContact O-CD 3.47Å
556	L	79.1	Confident	82.2	Confident	13 Å²	13	56.9 Å²	56.9	7%	0.068	29%	0.288	C	S	.	.			trans	-105.6	130.5	164	-69.2	138.8	0	0	0	108.1	P510 F513 L514 M549 I554 D560 L561 L564	P510-L556 HydrophobicContact CB-CD2 3.87Å; F513-L556 HydrophobicContact CD1-CD2 4.03Å; F513-L556 HydrophobicContact CD1-CG 4.11Å; F513-L556 HydrophobicContact CE1-CG 4.39Å; L514-L556 HydrophobicContact CD1-CD1 4.3Å; M549-L556 HydrophobicContact CE-CD1 3.24Å; I554-L556 HydrophobicContact CG2-CD1 3.88Å; I554-L556 PolarHBondContact O-N 2.8Å; L556-D560 HydrophobicContact CB-CB 4.16Å; L556-D560 HydrophobicContact CD2-CB 3.72Å; L556-L561 HydrophobicContact CB-CD2 3.71Å; L556-L561 HydrophobicContact CB-CG 3.72Å; L556-L561 HydrophobicContact CD1-CD2 4.02Å; L556-L561 HydrophobicContact CG-CD2 4.45Å; L556-L564 HydrophobicContact CD1-CD2 3.87Å; L556-L564 HydrophobicContact CD2-CD2 4.47Å
557	N	74.1	Confident	82.4	Confident	66 Å²	66	58.3 Å²	58.3	35%	0.353	29%	0.289	S	S	.	.			trans	-73.3	167.9	173.1	66	20.5	0	0	0	109.6	D559 D560 L561	N557-D559 VanDerWaalsContact C-N 3.27Å; N557-D559 PolarHBondContact O-N 2.83Å; N557-D559 PolarHBondContact OD1-N 2.98Å; N557-D560 PolarHBondContact O-N 2.87Å; N557-D560 WeakPolarHBondContact OD1-CB 3.33Å; N557-D560 PolarHBondContact OD1-N 2.87Å; N557-D560 PolarHBondContact OD1-OD1 2.91Å; N557-L561 WeakPolarHBondContact O-CG 3.37Å; N557-L561 PolarHBondContact O-N 3.1Å
558	P	75.5	Confident	82.6	Confident	97 Å²	97	53.2 Å²	53.2	63%	0.63	27%	0.265	S	S	*	.	H	α-helix	trans	-58.2	-36.2	-176.6	-27.9	37.1	0	0	0	114.1	L561 K562	P558-L561 PolarHBondContact O-N 3.35Å; P558-K562 WeakPolarHBondContact O-CB 3.34Å; P558-K562 PolarHBondContact O-N 3.39Å
559	D	78.3	Confident	82.8	Confident	112 Å²	112	52 Å²	52	60%	0.599	26%	0.261	S	S	*	.	H	α-helix	trans	-69.5	-43.9	178.6	-60.8	-53.3	0	0	0	112.2	N557 L561 K562 I563	N557-D559 VanDerWaalsContact C-N 3.27Å; N557-D559 PolarHBondContact O-N 2.83Å; N557-D559 PolarHBondContact OD1-N 2.98Å; D559-L561 VanDerWaalsContact C-N 3.34Å; D559-L561 PolarHBondContact O-N 3.28Å; D559-K562 WeakPolarHBondContact O-CB 3.48Å; D559-K562 PolarHBondContact O-N 2.91Å; D559-I563 VanDerWaalsContact O-CG1 3.3Å; D559-I563 WeakPolarHBondContact O-CG1 3.49Å; D559-I563 PolarHBondContact O-N 3.07Å
560	D	84	Confident	82.7	Confident	16 Å²	16	55.2 Å²	55.2	9%	0.086	28%	0.284	C	S	.	.	H	α-helix	trans	-62.1	-40.7	173.8	-79	3.9	0	0	0	111.5	R501 P510 L556 N557 K562 I563 L564	R501-D560 IonicContact CZ-OD2 2.69Å; R501-D560 IonicContact NH1-OD2 2.61Å; R501-D560 PolarHBondContact NH1-OD2 3.34Å; R501-D560 IonicContact NH2-OD2 2.7Å; R501-D560 PolarHBondContact NH2-OD2 3.1Å; P510-D560 HydrophobicContact CB-CB 4.02Å; P510-D560 HydrophobicContact CG-CB 3.76Å; L556-D560 HydrophobicContact CB-CB 4.16Å; L556-D560 HydrophobicContact CD2-CB 3.72Å; N557-D560 PolarHBondContact O-N 2.87Å; N557-D560 WeakPolarHBondContact OD1-CB 3.33Å; N557-D560 PolarHBondContact OD1-N 2.87Å; N557-D560 PolarHBondContact OD1-OD1 2.91Å; D560-K562 VanDerWaalsContact C-N 3.34Å; D560-I563 PolarHBondContact O-N 3.1Å; D560-L564 WeakPolarHBondContact O-CB 3.36Å; D560-L564 PolarHBondContact O-N 3.5Å
561	L	87.4	Confident	83.1	Confident	1 Å²	1	57.9 Å²	57.9	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-61.8	-43.9	174.4	-75.6	173	0	0	0	110.6	T546 M549 I550 L556 N557 P558 D559 L564 I565	T546-L561 HydrophobicContact CG2-CD1 4.19Å; M549-L561 HydrophobicContact CB-CD1 4.44Å; M549-L561 HydrophobicContact CB-CD2 3.78Å; M549-L561 HydrophobicContact CE-CD2 3.69Å; M549-L561 HydrophobicContact CG-CD2 4.02Å; I550-L561 HydrophobicContact CD1-CD1 4.17Å; I550-L561 HydrophobicContact CG1-CD1 3.82Å; L556-L561 HydrophobicContact CB-CD2 3.71Å; L556-L561 HydrophobicContact CB-CG 3.72Å; L556-L561 HydrophobicContact CD1-CD2 4.02Å; L556-L561 HydrophobicContact CG-CD2 4.45Å; N557-L561 WeakPolarHBondContact O-CG 3.37Å; N557-L561 PolarHBondContact O-N 3.1Å; P558-L561 PolarHBondContact O-N 3.35Å; D559-L561 VanDerWaalsContact C-N 3.34Å; D559-L561 PolarHBondContact O-N 3.28Å; L561-L564 PolarHBondContact O-N 3.06Å; L561-I565 WeakPolarHBondContact O-CB 3.38Å; L561-I565 VanDerWaalsContact O-CG1 3.24Å; L561-I565 WeakPolarHBondContact O-CG1 3.38Å; L561-I565 PolarHBondContact O-N 2.91Å
562	K	86	Confident	83.5	Confident	139 Å²	139	59.7 Å²	59.7	60%	0.604	30%	0.296	S	S	*	.	H	α-helix	trans	-62.9	-43	175.9	-171.3	174.4	-177.3	177.7	0	111.8	P558 D559 D560 N566	P558-K562 WeakPolarHBondContact O-CB 3.34Å; P558-K562 PolarHBondContact O-N 3.39Å; D559-K562 WeakPolarHBondContact O-CB 3.48Å; D559-K562 PolarHBondContact O-N 2.91Å; D560-K562 VanDerWaalsContact C-N 3.34Å; K562-N566 WeakPolarHBondContact O-CB 3.37Å; K562-N566 PolarHBondContact O-N 2.95Å; K562-N566 PolarHBondContact O-ND2 2.73Å
563	I	86.9	Confident	83.9	Confident	92 Å²	92	59.9 Å²	59.9	47%	0.472	30%	0.3	S	S	.	.	H	α-helix	trans	-63.7	-44.5	175.4	-68.5	162.1	0	0	0	110.7	P510 D559 D560 N566 Y567	P510-I563 HydrophobicContact CG-CB 4.02Å; P510-I563 HydrophobicContact CG-CD1 4.47Å; P510-I563 HydrophobicContact CG-CG2 3.81Å; D559-I563 VanDerWaalsContact O-CG1 3.3Å; D559-I563 WeakPolarHBondContact O-CG1 3.49Å; D559-I563 PolarHBondContact O-N 3.07Å; D560-I563 PolarHBondContact O-N 3.1Å; I563-N566 PolarHBondContact O-N 3.36Å; I563-Y567 WeakPolarHBondContact O-CB 3.44Å; I563-Y567 PolarHBondContact O-N 3.5Å
564	L	90.1	Very high	84.9	Confident	0 Å²	0	60 Å²	60	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-62.4	-45	178.5	176	64.6	0	0	0	111.8	P510 V511 L514 F545 M549 L556 D560 L561 Y567 I568	P510-L564 HydrophobicContact CB-CB 4.16Å; V511-L564 HydrophobicContact CG2-CD1 4.01Å; L514-L564 HydrophobicContact CD2-CD1 4.07Å; L514-L564 HydrophobicContact CD2-CD2 3.96Å; F545-L564 HydrophobicContact CE1-CD2 4.14Å; F545-L564 HydrophobicContact CZ-CD2 4.35Å; M549-L564 HydrophobicContact CE-CD2 3.98Å; L556-L564 HydrophobicContact CD1-CD2 3.87Å; L556-L564 HydrophobicContact CD2-CD2 4.47Å; D560-L564 WeakPolarHBondContact O-CB 3.36Å; D560-L564 PolarHBondContact O-N 3.5Å; L561-L564 PolarHBondContact O-N 3.06Å; L564-Y567 WeakPolarHBondContact O-CB 3.4Å; L564-Y567 PolarHBondContact O-N 3.08Å; L564-I568 HydrophobicContact CD1-CD1 3.83Å; L564-I568 HydrophobicContact CD1-CG1 4.38Å; L564-I568 HydrophobicContact CG-CD1 3.79Å; L564-I568 WeakPolarHBondContact O-CD1 3.06Å; L564-I568 VanDerWaalsContact O-CG1 3.26Å; L564-I568 WeakPolarHBondContact O-CG1 2.9Å; L564-I568 PolarHBondContact O-N 3.02Å
565	I	91	Very high	85.5	Confident	5 Å²	5	66.1 Å²	66.1	3%	0.026	33%	0.329	C	S	.	.	H	α-helix	trans	-63.9	-49.8	177.3	-71.4	165.9	0	0	0	110.5	E542 F545 T546 L561 Y567 I568 D569	E542-I565 HydrophobicContact CB-CG2 3.99Å; E542-I565 HydrophobicContact CG-CG2 3.51Å; F545-I565 HydrophobicContact CD1-CD1 3.9Å; F545-I565 HydrophobicContact CD1-CG1 3.72Å; F545-I565 HydrophobicContact CE1-CG1 4.05Å; T546-I565 WeakPolarHBondContact OG1-CD1 3.48Å; L561-I565 WeakPolarHBondContact O-CB 3.38Å; L561-I565 VanDerWaalsContact O-CG1 3.24Å; L561-I565 WeakPolarHBondContact O-CG1 3.38Å; L561-I565 PolarHBondContact O-N 2.91Å; I565-Y567 PolarHBondContact O-N 3.34Å; I565-Y567 VanDerWaalsContact O-N 3.14Å; I565-I568 PolarHBondContact O-N 3.43Å; I565-D569 PolarHBondContact O-N 3.37Å
566	N	89.8	Confident	86.5	Confident	66 Å²	66	65.1 Å²	65.1	35%	0.353	32%	0.323	S	S	.	.	H	α-helix	trans	-58.2	-28.5	175.7	-77.8	-64.7	0	0	0	112.9	K562 I563 S570	K562-N566 WeakPolarHBondContact O-CB 3.37Å; K562-N566 PolarHBondContact O-N 2.95Å; K562-N566 PolarHBondContact O-ND2 2.73Å; I563-N566 PolarHBondContact O-N 3.36Å; N566-S570 WeakPolarHBondContact O-CA 3.39Å; N566-S570 PolarHBondContact O-N 2.63Å
567	Y	91	Very high	87.1	Confident	74 Å²	74	66.7 Å²	66.7	29%	0.29	33%	0.333	S	S	.	.	H	α-helix	trans	-76	-38.6	173.9	-179.5	-100.7	0	0	0	112.9	V511 I563 L564 I565 R584 F588	V511-Y567 HydrophobicContact CG1-CD1 4.44Å; V511-Y567 HydrophobicContact CG1-CE1 4.26Å; V511-Y567 HydrophobicContact CG2-CD1 3.72Å; V511-Y567 HydrophobicContact CG2-CE1 4.22Å; V511-Y567 HydrophobicContact CG2-CG 4.09Å; I563-Y567 WeakPolarHBondContact O-CB 3.44Å; I563-Y567 PolarHBondContact O-N 3.5Å; L564-Y567 WeakPolarHBondContact O-CB 3.4Å; L564-Y567 PolarHBondContact O-N 3.08Å; I565-Y567 PolarHBondContact O-N 3.34Å; I565-Y567 VanDerWaalsContact O-N 3.14Å; Y567-R584 HydrophobicContact CE1-CB 4.11Å; Y567-R584 WeakPolarHBondContact O-CD 3.18Å; Y567-R584 PolarHBondContact OH-O 2.84Å; Y567-F588 HydrophobicContact CE1-CB 4.09Å; Y567-F588 HydrophobicContact CE1-CD2 4.18Å; Y567-F588 HydrophobicContact CE2-CD2 4.42Å; Y567-F588 AromaticContact CZ-CD2 3.88Å; Y567-F588 WeakPolarHBondContact OH-CA 3.3Å; Y567-F588 WeakPolarHBondContact OH-CB 3.38Å; Y567-F588 PolarHBondContact OH-N 3.16Å
568	I	90.6	Very high	87.9	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-73.1	-53.8	-179.9	-66.5	158.5	0	0	0	110.7	F545 L564 I565 I576 L580 L581 R584	F545-I568 HydrophobicContact CE2-CD1 4.44Å; F545-I568 HydrophobicContact CZ-CD1 3.95Å; L564-I568 HydrophobicContact CD1-CD1 3.83Å; L564-I568 HydrophobicContact CD1-CG1 4.38Å; L564-I568 HydrophobicContact CG-CD1 3.79Å; L564-I568 WeakPolarHBondContact O-CD1 3.06Å; L564-I568 VanDerWaalsContact O-CG1 3.26Å; L564-I568 WeakPolarHBondContact O-CG1 2.9Å; L564-I568 PolarHBondContact O-N 3.02Å; I565-I568 PolarHBondContact O-N 3.43Å; I568-I576 HydrophobicContact CG2-CG1 4.44Å; I568-I576 HydrophobicContact CG2-CG2 3.98Å; I568-L580 HydrophobicContact CG2-CD2 4.36Å; I568-L580 HydrophobicContact CG2-CG 4.21Å; I568-L581 HydrophobicContact CD1-CD1 3.58Å; I568-L581 HydrophobicContact CG1-CD1 4Å; I568-L581 HydrophobicContact CG2-CD1 4.42Å; I568-R584 WeakPolarHBondContact O-CG 3.5Å; I568-R584 PolarHBondContact O-NE 3.47Å
569	D	91.2	Very high	88.3	Confident	3 Å²	3	70.8 Å²	70.8	2%	0.016	34%	0.336	C	S	.	.			trans	-108.3	62.5	-178.1	-165.2	-2	0	0	0	110.7	I565 E571 R572 T573 D574 K575 I576 L580	I565-D569 PolarHBondContact O-N 3.37Å; D569-E571 PolarHBondContact O-N 3.42Å; D569-R572 PolarHBondContact O-N 3.35Å; D569-R572 PolarHBondContact OD1-N 2.84Å; D569-R572 VanDerWaalsContact OD1-N 3.11Å; D569-T573 VanDerWaalsContact CG-N 3.27Å; D569-T573 VanDerWaalsContact CG-OG1 3.28Å; D569-T573 PolarHBondContact OD1-N 2.96Å; D569-T573 PolarHBondContact OD1-OG1 2.8Å; D569-T573 VanDerWaalsContact OD1-OG1 3.06Å; D569-T573 PolarHBondContact OD2-N 2.72Å; D569-T573 PolarHBondContact OD2-OG1 3.1Å; D569-D574 PolarHBondContact OD2-N 3.04Å; D569-K575 PolarHBondContact OD2-N 2.93Å; D569-I576 HydrophobicContact CB-CG1 4.48Å; D569-L580 HydrophobicContact CB-CD2 4.46Å
570	S	86.6	Confident	88.9	Confident	68 Å²	68	67.1 Å²	67.1	48%	0.476	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-14.7	178.8	70.7	0	0	0	0	114	N566 R584	N566-S570 WeakPolarHBondContact O-CA 3.39Å; N566-S570 PolarHBondContact O-N 2.63Å; S570-R584 PolarHBondContact OG-NH2 3.32Å
571	E	86.7	Confident	89.1	Confident	153 Å²	153	66.4 Å²	66.4	72%	0.715	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-4.7	178.7	-67.7	177.4	-177.1	0	0	112.3	D569 T573	D569-E571 PolarHBondContact O-N 3.42Å; E571-T573 VanDerWaalsContact C-N 3.33Å; E571-T573 HydrophobicContact CB-CG2 3.87Å; E571-T573 PolarHBondContact O-N 2.84Å
572	R	87.1	Confident	89	Confident	190 Å²	190	67.6 Å²	67.6	72%	0.717	32%	0.323	S	S	*	.			trans	53.5	46.8	-178.8	-59.5	-178.6	178.3	168.3	1	112.7	D569 D574	D569-R572 PolarHBondContact O-N 3.35Å; D569-R572 PolarHBondContact OD1-N 2.84Å; D569-R572 VanDerWaalsContact OD1-N 3.11Å; R572-D574 VanDerWaalsContact C-N 3.28Å
573	T	87.9	Confident	88.8	Confident	59 Å²	59	63 Å²	63	36%	0.362	31%	0.308	S	S	.	.			trans	-75.8	-15.7	179.4	65.8	0	0	0	0	113.9	D569 E571 K575	D569-T573 VanDerWaalsContact CG-N 3.27Å; D569-T573 VanDerWaalsContact CG-OG1 3.28Å; D569-T573 PolarHBondContact OD1-N 2.96Å; D569-T573 PolarHBondContact OD1-OG1 2.8Å; D569-T573 VanDerWaalsContact OD1-OG1 3.06Å; D569-T573 PolarHBondContact OD2-N 2.72Å; D569-T573 PolarHBondContact OD2-OG1 3.1Å; E571-T573 VanDerWaalsContact C-N 3.33Å; E571-T573 HydrophobicContact CB-CG2 3.87Å; E571-T573 PolarHBondContact O-N 2.84Å; T573-K575 WeakPolarHBondContact O-CG 3.44Å; T573-K575 PolarHBondContact O-N 3.49Å; T573-K575 PolarHBondContact OG1-N 3.05Å
574	D	90.7	Very high	88.8	Confident	80 Å²	80	61.3 Å²	61.3	43%	0.428	30%	0.295	S	S	.	.	S	Bend	trans	56.8	29	-170.5	-163.8	39.6	0	0	0	112.7	S541 E542 D569 R572	S541-D574 WeakPolarHBondContact CA-O 3.28Å; S541-D574 WeakPolarHBondContact CA-OD1 3.38Å; S541-D574 VanDerWaalsContact CB-OD1 3.25Å; S541-D574 WeakPolarHBondContact CB-OD1 3.29Å; S541-D574 WeakPolarHBondContact CB-OD2 3.47Å; E542-D574 PolarHBondContact N-OD1 3.06Å; D569-D574 PolarHBondContact OD2-N 3.04Å; R572-D574 VanDerWaalsContact C-N 3.28Å
575	K	90.8	Very high	88.6	Confident	133 Å²	133	61.8 Å²	61.8	58%	0.578	30%	0.298	S	S	*	.			trans	-137.8	68.5	-170.4	-70.4	178.1	-174.8	173.7	0	112.1	V539 D569 T573 T577	V539-K575 HydrophobicContact CG1-CB 3.7Å; V539-K575 HydrophobicContact CG1-CG 3.79Å; D569-K575 PolarHBondContact OD2-N 2.93Å; T573-K575 WeakPolarHBondContact O-CG 3.44Å; T573-K575 PolarHBondContact O-N 3.49Å; T573-K575 PolarHBondContact OG1-N 3.05Å; K575-T577 PolarHBondContact O-N 3.34Å
576	I	92.6	Very high	87.9	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-72.3	96.2	177.4	-55.2	173	0	0	0	109.3	Y529 I540 F545 I568 D569 L581	Y529-I576 PolarHBondContact OH-O 3.25Å; I540-I576 HydrophobicContact CB-CB 4.47Å; I540-I576 PolarHBondContact N-O 2.84Å; I540-I576 WeakPolarHBondContact O-CA 3.4Å; I540-I576 WeakPolarHBondContact O-CB 3.17Å; I540-I576 PolarHBondContact O-N 2.84Å; F545-I576 HydrophobicContact CB-CD1 3.81Å; F545-I576 HydrophobicContact CD1-CD1 4.49Å; F545-I576 HydrophobicContact CD2-CD1 3.78Å; F545-I576 HydrophobicContact CD2-CG2 4.19Å; F545-I576 HydrophobicContact CE2-CD1 4.48Å; F545-I576 HydrophobicContact CE2-CG2 4.36Å; F545-I576 HydrophobicContact CG-CD1 3.79Å; I568-I576 HydrophobicContact CG2-CG1 4.44Å; I568-I576 HydrophobicContact CG2-CG2 3.98Å; D569-I576 HydrophobicContact CB-CG1 4.48Å; I576-L581 HydrophobicContact CG2-CB 4.45Å
577	T	91.8	Very high	87.3	Confident	47 Å²	47	71.2 Å²	71.2	29%	0.288	33%	0.333	S	S	.	.			trans	-86.1	157.7	170.6	64.7	0	0	0	0	111.5	Y529 V539 K575 K579 L580 L581	Y529-T577 VanDerWaalsContact CE2-C 3.48Å; Y529-T577 WeakPolarHBondContact OH-CA 3.49Å; V539-T577 HydrophobicContact CG2-CG2 4.27Å; K575-T577 PolarHBondContact O-N 3.34Å; T577-K579 PolarHBondContact O-N 2.95Å; T577-L580 PolarHBondContact O-N 3.1Å; T577-L580 VanDerWaalsContact O-N 3.16Å; T577-L580 WeakPolarHBondContact OG1-CB 3.34Å; T577-L580 PolarHBondContact OG1-N 3.33Å; T577-L580 VanDerWaalsContact OG1-N 3.16Å; T577-L581 PolarHBondContact O-N 3.08Å
578	Y	89.3	Confident	86.9	Confident	90 Å²	90	69.1 Å²	69.1	35%	0.353	33%	0.325	S	S	.	.	H	α-helix	trans	-57.3	-38.7	173.4	176	-112.2	0	0	0	112	L526 Y529 L580 L581 A582	L526-Y578 HydrophobicContact CB-CE2 3.95Å; L526-Y578 HydrophobicContact CD1-CD1 4.25Å; L526-Y578 HydrophobicContact CD1-CD2 4.07Å; L526-Y578 HydrophobicContact CD1-CE1 4.04Å; L526-Y578 HydrophobicContact CD1-CE2 3.86Å; L526-Y578 HydrophobicContact CD1-CG 4.27Å; Y529-Y578 HydrophobicContact CD1-CD2 4.36Å; Y529-Y578 HydrophobicContact CD1-CG 4.44Å; Y529-Y578 HydrophobicContact CD2-CD2 4.17Å; Y529-Y578 AromaticContact CG-CD2 3.8Å; Y529-Y578 HydrophobicContact CG-CD2 3.8Å; Y529-Y578 HydrophobicContact CG-CG 4.25Å; Y529-Y578 VanDerWaalsContact CZ-N 3.25Å; Y529-Y578 PolarHBondContact OH-N 2.86Å; Y578-L580 PolarHBondContact O-N 2.87Å; Y578-L581 PolarHBondContact O-N 2.79Å; Y578-A582 HydrophobicContact CE1-CB 4.42Å; Y578-A582 HydrophobicContact CE2-CB 4.27Å; Y578-A582 WeakPolarHBondContact O-CB 3.34Å; Y578-A582 PolarHBondContact O-N 3.47Å
579	K	84.5	Confident	86.2	Confident	158 Å²	158	76.1 Å²	76.1	69%	0.687	35%	0.352	S	S	*	.	H	α-helix	trans	-62.7	-42.4	178.4	-173	179.8	178.8	-176.6	0	111.6	T577 S583	T577-K579 PolarHBondContact O-N 2.95Å; K579-S583 WeakPolarHBondContact O-CB 3.3Å; K579-S583 PolarHBondContact O-N 3.47Å; K579-S583 PolarHBondContact O-OG 2.85Å
580	L	90.2	Very high	85	Confident	36 Å²	36	80 Å²	80	19%	0.188	37%	0.371	C	S	.	.	H	α-helix	trans	-65.8	-50.4	176.1	-179.3	62.5	0	0	0	111.2	I568 D569 T577 Y578 A582 S583 R584	I568-L580 HydrophobicContact CG2-CD2 4.36Å; I568-L580 HydrophobicContact CG2-CG 4.21Å; D569-L580 HydrophobicContact CB-CD2 4.46Å; T577-L580 PolarHBondContact O-N 3.1Å; T577-L580 VanDerWaalsContact O-N 3.16Å; T577-L580 WeakPolarHBondContact OG1-CB 3.34Å; T577-L580 PolarHBondContact OG1-N 3.33Å; T577-L580 VanDerWaalsContact OG1-N 3.16Å; Y578-L580 PolarHBondContact O-N 2.87Å; L580-A582 VanDerWaalsContact C-N 3.34Å; L580-A582 PolarHBondContact O-N 3.48Å; L580-S583 PolarHBondContact O-N 2.79Å; L580-S583 PolarHBondContact O-OG 2.86Å; L580-R584 HydrophobicContact CD1-CG 4.11Å; L580-R584 WeakPolarHBondContact O-CB 3.49Å; L580-R584 WeakPolarHBondContact O-CG 3.45Å; L580-R584 PolarHBondContact O-N 2.89Å
581	L	89.5	Confident	84.3	Confident	0 Å²	0	79.5 Å²	79.5	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-57.2	-47.4	177.5	179	64.3	0	0	0	111.4	L525 Y529 I568 I576 T577 Y578 R584 I585	L525-L581 HydrophobicContact CD1-CD1 4.47Å; L525-L581 HydrophobicContact CD1-CD2 3.95Å; L525-L581 HydrophobicContact CD1-CG 4.03Å; L525-L581 HydrophobicContact CD2-CG 4.26Å; L525-L581 HydrophobicContact CG-CD2 4.2Å; L525-L581 HydrophobicContact CG-CG 4.22Å; Y529-L581 HydrophobicContact CD2-CD2 3.87Å; I568-L581 HydrophobicContact CD1-CD1 3.58Å; I568-L581 HydrophobicContact CG1-CD1 4Å; I568-L581 HydrophobicContact CG2-CD1 4.42Å; I576-L581 HydrophobicContact CG2-CB 4.45Å; T577-L581 PolarHBondContact O-N 3.08Å; Y578-L581 PolarHBondContact O-N 2.79Å; L581-R584 PolarHBondContact O-N 3.1Å; L581-I585 HydrophobicContact CD1-CG1 4.16Å; L581-I585 WeakPolarHBondContact O-CB 3.19Å; L581-I585 VanDerWaalsContact O-CG1 3.26Å; L581-I585 WeakPolarHBondContact O-CG1 3.34Å; L581-I585 PolarHBondContact O-N 3.18Å
582	A	85.7	Confident	83.3	Confident	27 Å²	27	74.4 Å²	74.4	22%	0.223	35%	0.347	C	S	.	.	H	α-helix	trans	-65	-42.7	-179.5	0	0	0	0	0	113.1	L525 Y578 L580 Y586	L525-A582 HydrophobicContact CD2-CB 4.12Å; Y578-A582 HydrophobicContact CE1-CB 4.42Å; Y578-A582 HydrophobicContact CE2-CB 4.27Å; Y578-A582 WeakPolarHBondContact O-CB 3.34Å; Y578-A582 PolarHBondContact O-N 3.47Å; L580-A582 VanDerWaalsContact C-N 3.34Å; L580-A582 PolarHBondContact O-N 3.48Å; A582-Y586 VanDerWaalsContact O-CB 3.26Å; A582-Y586 WeakPolarHBondContact O-CB 3.41Å; A582-Y586 PolarHBondContact O-N 3.4Å
583	S	81.2	Confident	82.1	Confident	41 Å²	41	67.1 Å²	67.1	29%	0.287	33%	0.331	S	S	.	.	H	α-helix	trans	-64.5	-44.4	177.9	68.8	0	0	0	0	111.4	K579 L580 Y586 F587	K579-S583 WeakPolarHBondContact O-CB 3.3Å; K579-S583 PolarHBondContact O-N 3.47Å; K579-S583 PolarHBondContact O-OG 2.85Å; L580-S583 PolarHBondContact O-N 2.79Å; L580-S583 PolarHBondContact O-OG 2.86Å; S583-Y586 WeakPolarHBondContact O-CB 3.5Å; S583-Y586 PolarHBondContact O-N 3.45Å; S583-F587 WeakPolarHBondContact O-CD2 3.11Å; S583-F587 PolarHBondContact O-N 2.95Å
584	R	87.7	Confident	80.9	Confident	57 Å²	57	67.9 Å²	67.9	22%	0.215	33%	0.331	C	S	.	.	H	α-helix	trans	-62.8	-46.7	179.3	-66	-76.5	-170.3	-174.8	-2.7	112.3	Y567 I568 S570 L580 L581 Y586 F587 F588	Y567-R584 HydrophobicContact CE1-CB 4.11Å; Y567-R584 WeakPolarHBondContact O-CD 3.18Å; Y567-R584 PolarHBondContact OH-O 2.84Å; I568-R584 WeakPolarHBondContact O-CG 3.5Å; I568-R584 PolarHBondContact O-NE 3.47Å; S570-R584 PolarHBondContact OG-NH2 3.32Å; L580-R584 HydrophobicContact CD1-CG 4.11Å; L580-R584 WeakPolarHBondContact O-CB 3.49Å; L580-R584 WeakPolarHBondContact O-CG 3.45Å; L580-R584 PolarHBondContact O-N 2.89Å; L581-R584 PolarHBondContact O-N 3.1Å; R584-Y586 VanDerWaalsContact C-N 3.28Å; R584-Y586 PolarHBondContact O-N 3.38Å; R584-F587 PolarHBondContact O-N 2.99Å; R584-F588 WeakPolarHBondContact O-CB 3.47Å; R584-F588 PolarHBondContact O-N 3.05Å
585	I	84.8	Confident	79.2	Confident	11 Å²	11	69.1 Å²	69.1	6%	0.056	33%	0.334	C	S	.	.	H	α-helix	trans	-64.2	-33.7	175.9	-64.6	-61.5	0	0	0	111.8	V511 L514 I515 L525 L581 R589	V511-I585 HydrophobicContact CG1-CD1 3.65Å; L514-I585 HydrophobicContact CD2-CD1 4.33Å; I515-I585 HydrophobicContact CD1-CG2 4.06Å; I515-I585 HydrophobicContact CG1-CD1 4.48Å; I515-I585 HydrophobicContact CG1-CG2 3.87Å; L525-I585 HydrophobicContact CD1-CG1 4.13Å; L525-I585 HydrophobicContact CD2-CB 3.79Å; L525-I585 HydrophobicContact CD2-CG1 3.88Å; L525-I585 HydrophobicContact CD2-CG2 4Å; L581-I585 HydrophobicContact CD1-CG1 4.16Å; L581-I585 WeakPolarHBondContact O-CB 3.19Å; L581-I585 VanDerWaalsContact O-CG1 3.26Å; L581-I585 WeakPolarHBondContact O-CG1 3.34Å; L581-I585 PolarHBondContact O-N 3.18Å; I585-R589 WeakPolarHBondContact O-CG 3.41Å; I585-R589 PolarHBondContact O-N 3.39Å
586	Y	77.2	Confident	77.4	Confident	146 Å²	146	68.1 Å²	68.1	57%	0.573	33%	0.334	S	S	*	.	H	α-helix	trans	-70	-47.3	174.8	179.7	-104.8	0	0	0	112.5	A582 S583 R584 F588 R589 I590	A582-Y586 VanDerWaalsContact O-CB 3.26Å; A582-Y586 WeakPolarHBondContact O-CB 3.41Å; A582-Y586 PolarHBondContact O-N 3.4Å; S583-Y586 WeakPolarHBondContact O-CB 3.5Å; S583-Y586 PolarHBondContact O-N 3.45Å; R584-Y586 VanDerWaalsContact C-N 3.28Å; R584-Y586 PolarHBondContact O-N 3.38Å; Y586-F588 VanDerWaalsContact C-N 3.29Å; Y586-F588 PolarHBondContact O-N 3.26Å; Y586-R589 WeakPolarHBondContact O-CB 3.08Å; Y586-R589 PolarHBondContact O-N 3.11Å; Y586-R589 VanDerWaalsContact O-N 3.15Å; Y586-I590 HydrophobicContact CD1-CD1 3.94Å; Y586-I590 HydrophobicContact CE1-CD1 3.37Å; Y586-I590 HydrophobicContact CE1-CG1 4.37Å; Y586-I590 HydrophobicContact CE2-CD1 4.43Å; Y586-I590 PolarHBondContact O-N 3.46Å; Y586-I590 VanDerWaalsContact O-N 3.09Å
587	F	76.9	Confident	75.7	Confident	122 Å²	122	75.5 Å²	75.5	54%	0.535	36%	0.362	S	S	.	.	H	α-helix	trans	-60	-38.9	174.7	-75.5	-58.2	0	0	0	112.2	S583 R584 R589 I590 S591	S583-F587 WeakPolarHBondContact O-CD2 3.11Å; S583-F587 PolarHBondContact O-N 2.95Å; R584-F587 PolarHBondContact O-N 2.99Å; F587-R589 PolarHBondContact O-N 3.09Å; F587-I590 PolarHBondContact O-N 2.88Å; F587-S591 WeakPolarHBondContact O-CB 3.14Å; F587-S591 PolarHBondContact O-N 3.4Å
588	F	81.8	Confident	73.9	Confident	31 Å²	31	76.8 Å²	76.8	14%	0.136	37%	0.367	C	S	.	.	H	α-helix	trans	-57.7	-47.7	173.4	-171.5	-93.3	0	0	0	112	D509 V511 T512 I515 Y567 R584 Y586 I590 S591 V592	D509-F588 WeakPolarHBondContact OD1-CZ 3.39Å; V511-F588 HydrophobicContact CB-CD1 4.12Å; V511-F588 HydrophobicContact CB-CD2 3.82Å; V511-F588 HydrophobicContact CB-CE1 4.02Å; V511-F588 HydrophobicContact CB-CE2 3.72Å; V511-F588 HydrophobicContact CB-CG 4.02Å; V511-F588 HydrophobicContact CB-CZ 3.83Å; V511-F588 HydrophobicContact CG1-CB 3.91Å; V511-F588 HydrophobicContact CG1-CD1 3.6Å; V511-F588 HydrophobicContact CG1-CD2 3.67Å; V511-F588 HydrophobicContact CG1-CE1 4.01Å; V511-F588 HydrophobicContact CG1-CE2 4.08Å; V511-F588 HydrophobicContact CG1-CG 3.42Å; V511-F588 VanDerWaalsContact CG1-CG 3.42Å; V511-F588 HydrophobicContact CG1-CZ 4.24Å; V511-F588 HydrophobicContact CG2-CD2 4.24Å; V511-F588 HydrophobicContact CG2-CE2 4.22Å; T512-F588 VanDerWaalsContact OG1-CE1 3.25Å; T512-F588 WeakPolarHBondContact OG1-CE1 3.16Å; T512-F588 WeakPolarHBondContact OG1-CZ 3.46Å; I515-F588 HydrophobicContact CD1-CD1 3.55Å; I515-F588 HydrophobicContact CD1-CE1 4.12Å; I515-F588 HydrophobicContact CD1-CG 4.46Å; Y567-F588 HydrophobicContact CE1-CB 4.09Å; Y567-F588 HydrophobicContact CE1-CD2 4.18Å; Y567-F588 HydrophobicContact CE2-CD2 4.42Å; Y567-F588 AromaticContact CZ-CD2 3.88Å; Y567-F588 WeakPolarHBondContact OH-CA 3.3Å; Y567-F588 WeakPolarHBondContact OH-CB 3.38Å; Y567-F588 PolarHBondContact OH-N 3.16Å; R584-F588 WeakPolarHBondContact O-CB 3.47Å; R584-F588 PolarHBondContact O-N 3.05Å; Y586-F588 VanDerWaalsContact C-N 3.29Å; Y586-F588 PolarHBondContact O-N 3.26Å; F588-I590 VanDerWaalsContact C-N 3.35Å; F588-I590 PolarHBondContact O-N 3.13Å; F588-S591 PolarHBondContact O-N 3.03Å; F588-V592 HydrophobicContact CD1-CG2 4Å; F588-V592 HydrophobicContact CE1-CG2 3.52Å; F588-V592 HydrophobicContact CE2-CG2 4.36Å; F588-V592 HydrophobicContact CZ-CG2 3.72Å; F588-V592 WeakPolarHBondContact O-CG2 3.39Å; F588-V592 PolarHBondContact O-N 2.81Å
589	R	75.1	Confident	72.1	Confident	146 Å²	146	78.3 Å²	78.3	55%	0.551	38%	0.375	S	S	*	.	H	α-helix	trans	-60.6	-40.7	177.7	-76.2	177.9	164.2	-163.7	-6.5	112.7	I515 I585 Y586 F587 G593	I515-R589 HydrophobicContact CD1-CG 4.01Å; I585-R589 WeakPolarHBondContact O-CG 3.41Å; I585-R589 PolarHBondContact O-N 3.39Å; Y586-R589 WeakPolarHBondContact O-CB 3.08Å; Y586-R589 PolarHBondContact O-N 3.11Å; Y586-R589 VanDerWaalsContact O-N 3.15Å; F587-R589 PolarHBondContact O-N 3.09Å; R589-G593 PolarHBondContact O-N 3.29Å
590	I	66.4	Low	70.5	Confident	84 Å²	84	73.6 Å²	73.6	43%	0.431	37%	0.366	S	S	.	.	H	α-helix	trans	-64.3	-47.6	174.4	-66.6	174	0	0	0	110.5	Y586 F587 F588 V592 G593 E594	Y586-I590 HydrophobicContact CD1-CD1 3.94Å; Y586-I590 HydrophobicContact CE1-CD1 3.37Å; Y586-I590 HydrophobicContact CE1-CG1 4.37Å; Y586-I590 HydrophobicContact CE2-CD1 4.43Å; Y586-I590 PolarHBondContact O-N 3.46Å; Y586-I590 VanDerWaalsContact O-N 3.09Å; F587-I590 PolarHBondContact O-N 2.88Å; F588-I590 VanDerWaalsContact C-N 3.35Å; F588-I590 PolarHBondContact O-N 3.13Å; I590-V592 PolarHBondContact O-N 3.46Å; I590-G593 PolarHBondContact O-N 3.28Å; I590-G593 VanDerWaalsContact O-N 3.16Å; I590-E594 PolarHBondContact O-N 2.85Å
591	S	73.4	Confident	69.1	Low	59 Å²	59	75.4 Å²	75.4	41%	0.413	38%	0.378	S	S	.	.	H	α-helix	trans	-59.7	-44.6	-178.9	-173.3	0	0	0	0	112.1	F587 F588 E594 Q595	F587-S591 WeakPolarHBondContact O-CB 3.14Å; F587-S591 PolarHBondContact O-N 3.4Å; F588-S591 PolarHBondContact O-N 3.03Å; S591-E594 PolarHBondContact O-N 3.22Å; S591-Q595 WeakPolarHBondContact O-CB 3.37Å; S591-Q595 VanDerWaalsContact O-CG 3.31Å; S591-Q595 WeakPolarHBondContact O-CG 3.36Å; S591-Q595 PolarHBondContact O-N 3.46Å
592	V	65.6	Low	67.6	Low	45 Å²	45	80.8 Å²	80.8	27%	0.273	40%	0.404	S	S	.	.	H	α-helix	trans	-65.7	-41.8	174.6	174.1	0	0	0	0	111.4	F588 I590 E594 Q595 L596	F588-V592 HydrophobicContact CD1-CG2 4Å; F588-V592 HydrophobicContact CE1-CG2 3.52Å; F588-V592 HydrophobicContact CE2-CG2 4.36Å; F588-V592 HydrophobicContact CZ-CG2 3.72Å; F588-V592 WeakPolarHBondContact O-CG2 3.39Å; F588-V592 PolarHBondContact O-N 2.81Å; I590-V592 PolarHBondContact O-N 3.46Å; V592-E594 PolarHBondContact O-N 2.75Å; V592-Q595 PolarHBondContact O-N 3.01Å; V592-L596 HydrophobicContact CG1-CD1 4.01Å; V592-L596 HydrophobicContact CG1-CG 4.41Å; V592-L596 WeakPolarHBondContact O-CB 3.49Å; V592-L596 VanDerWaalsContact O-CG 3.28Å; V592-L596 WeakPolarHBondContact O-CG 3.31Å; V592-L596 PolarHBondContact O-N 3.44Å
593	G	61	Low	66	Low	37 Å²	37	85 Å²	85	38%	0.381	42%	0.422	S	S	.	.	H	α-helix	trans	-59	-44.5	175.6	0	0	0	0	0	112.7	R589 I590 L596 R597	R589-G593 PolarHBondContact O-N 3.29Å; I590-G593 PolarHBondContact O-N 3.28Å; I590-G593 VanDerWaalsContact O-N 3.16Å; G593-L596 PolarHBondContact O-N 3Å; G593-R597 WeakPolarHBondContact O-CB 3.24Å; G593-R597 PolarHBondContact O-N 3.25Å
594	E	62.2	Low	64.7	Low	76 Å²	76	85.6 Å²	85.6	36%	0.355	43%	0.426	S	S	.	.	H	α-helix	trans	-72.9	-36	178.7	-166.5	61.6	-169	0	0	112	I590 S591 V592 L596 R597 I598	I590-E594 PolarHBondContact O-N 2.85Å; S591-E594 PolarHBondContact O-N 3.22Å; V592-E594 PolarHBondContact O-N 2.75Å; E594-L596 VanDerWaalsContact C-N 3.33Å; E594-L596 PolarHBondContact O-N 2.86Å; E594-R597 PolarHBondContact O-N 3.13Å; E594-R597 IonicContact OE1-CZ 2.7Å; E594-R597 IonicContact OE1-NE 2.73Å; E594-R597 PolarHBondContact OE1-NE 2.61Å; E594-R597 VanDerWaalsContact OE1-NE 3.15Å; E594-R597 IonicContact OE1-NH2 2.74Å; E594-R597 PolarHBondContact OE1-NH2 2.9Å; E594-R597 IonicContact OE2-CZ 2.72Å; E594-R597 IonicContact OE2-NE 3.58Å; E594-R597 PolarHBondContact OE2-NE 2.99Å; E594-R597 IonicContact OE2-NH2 3.04Å; E594-I598 HydrophobicContact CG-CD1 4.19Å; E594-I598 WeakPolarHBondContact O-CB 3.44Å; E594-I598 VanDerWaalsContact O-CG1 3.25Å; E594-I598 WeakPolarHBondContact O-CG1 3.42Å; E594-I598 PolarHBondContact O-N 3.28Å
595	Q	55.3	Low	62.8	Low	106 Å²	106	89.7 Å²	89.7	50%	0.495	45%	0.445	S	S	.	.	H	α-helix	trans	-62.4	-38.5	170.5	-76.5	-179.7	12.3	0	0	112.6	S591 V592 K599	S591-Q595 WeakPolarHBondContact O-CB 3.37Å; S591-Q595 VanDerWaalsContact O-CG 3.31Å; S591-Q595 WeakPolarHBondContact O-CG 3.36Å; S591-Q595 PolarHBondContact O-N 3.46Å; V592-Q595 PolarHBondContact O-N 3.01Å; Q595-K599 WeakPolarHBondContact O-CB 3.46Å; Q595-K599 WeakPolarHBondContact O-CG 3.35Å; Q595-K599 PolarHBondContact O-N 2.85Å
596	L	52.6	Low	61.1	Low	111 Å²	111	95.4 Å²	95.4	58%	0.581	47%	0.471	S	S	*	.	H	α-helix	trans	-67.8	-38.2	173.6	-71.8	170.9	0	0	0	111.2	V592 G593 E594 A600	V592-L596 HydrophobicContact CG1-CD1 4.01Å; V592-L596 HydrophobicContact CG1-CG 4.41Å; V592-L596 WeakPolarHBondContact O-CB 3.49Å; V592-L596 VanDerWaalsContact O-CG 3.28Å; V592-L596 WeakPolarHBondContact O-CG 3.31Å; V592-L596 PolarHBondContact O-N 3.44Å; G593-L596 PolarHBondContact O-N 3Å; E594-L596 VanDerWaalsContact C-N 3.33Å; E594-L596 PolarHBondContact O-N 2.86Å; L596-A600 VanDerWaalsContact O-CB 3.27Å; L596-A600 WeakPolarHBondContact O-CB 3.44Å; L596-A600 PolarHBondContact O-N 3.12Å
597	R	56.7	Low	59.4	Low	155 Å²	155	94.3 Å²	94.3	59%	0.585	47%	0.472	S	S	*	.	H	α-helix	trans	-64.1	-46.4	174	-164.2	172.1	79.9	119.1	4.4	111.5	G593 E594 A600 T601	G593-R597 WeakPolarHBondContact O-CB 3.24Å; G593-R597 PolarHBondContact O-N 3.25Å; E594-R597 PolarHBondContact O-N 3.13Å; E594-R597 IonicContact OE1-CZ 2.7Å; E594-R597 IonicContact OE1-NE 2.73Å; E594-R597 PolarHBondContact OE1-NE 2.61Å; E594-R597 VanDerWaalsContact OE1-NE 3.15Å; E594-R597 IonicContact OE1-NH2 2.74Å; E594-R597 PolarHBondContact OE1-NH2 2.9Å; E594-R597 IonicContact OE2-CZ 2.72Å; E594-R597 IonicContact OE2-NE 3.58Å; E594-R597 PolarHBondContact OE2-NE 2.99Å; E594-R597 IonicContact OE2-NH2 3.04Å; R597-A600 PolarHBondContact O-N 3.27Å; R597-T601 WeakPolarHBondContact O-CG2 3.35Å; R597-T601 PolarHBondContact O-N 3.06Å; R597-T601 PolarHBondContact O-OG1 3.29Å
598	I	54.1	Low	57.7	Low	74 Å²	74	93.5 Å²	93.5	38%	0.379	47%	0.472	S	S	.	.	H	α-helix	trans	-58.2	-53.6	175	-70.1	163.5	0	0	0	109.7	E594 A600 T601 E602	E594-I598 HydrophobicContact CG-CD1 4.19Å; E594-I598 WeakPolarHBondContact O-CB 3.44Å; E594-I598 VanDerWaalsContact O-CG1 3.25Å; E594-I598 WeakPolarHBondContact O-CG1 3.42Å; E594-I598 PolarHBondContact O-N 3.28Å; I598-A600 VanDerWaalsContact C-N 3.31Å; I598-A600 PolarHBondContact O-N 3.33Å; I598-T601 WeakPolarHBondContact CA-OG1 3.4Å; I598-T601 CarbonylContact O-C 3.33Å; I598-T601 WeakPolarHBondContact O-CA 3.44Å; I598-T601 PolarHBondContact O-N 2.87Å; I598-T601 PolarHBondContact O-OG1 3.24Å; I598-E602 HydrophobicContact CG2-CG 4.24Å; I598-E602 WeakPolarHBondContact O-CG 3.43Å; I598-E602 PolarHBondContact O-N 2.81Å
599	K	51.4	Low	55.9	Low	122 Å²	122	96.3 Å²	96.3	53%	0.53	49%	0.489	S	S	.	.	H	α-helix	trans	-58.3	-39.1	177.2	-77.6	178.3	177.1	175.4	0	113.3	Q595 E602 L603	Q595-K599 WeakPolarHBondContact O-CB 3.46Å; Q595-K599 WeakPolarHBondContact O-CG 3.35Å; Q595-K599 PolarHBondContact O-N 2.85Å; K599-E602 PolarHBondContact O-N 3.29Å; K599-L603 WeakPolarHBondContact O-CB 3.38Å; K599-L603 PolarHBondContact O-N 2.91Å
600	A	51.6	Low	54.1	Low	59 Å²	59	95.7 Å²	95.7	49%	0.488	49%	0.492	S	S	.	.	H	α-helix	trans	-65.6	-41.4	174.5	0	0	0	0	0	111.5	L596 R597 I598 S604	L596-A600 VanDerWaalsContact O-CB 3.27Å; L596-A600 WeakPolarHBondContact O-CB 3.44Å; L596-A600 PolarHBondContact O-N 3.12Å; R597-A600 PolarHBondContact O-N 3.27Å; I598-A600 VanDerWaalsContact C-N 3.31Å; I598-A600 PolarHBondContact O-N 3.33Å; A600-S604 WeakPolarHBondContact O-CB 3.42Å; A600-S604 PolarHBondContact O-N 3.16Å; A600-S604 PolarHBondContact O-OG 3.16Å
601	T	61.3	Low	52.8	Low	75 Å²	75	98.2 Å²	98.2	46%	0.46	50%	0.502	S	S	.	.	H	α-helix	trans	-66.9	-39	174.4	57.8	0	0	0	0	112.4	R597 I598 S604 K605	R597-T601 WeakPolarHBondContact O-CG2 3.35Å; R597-T601 PolarHBondContact O-N 3.06Å; R597-T601 PolarHBondContact O-OG1 3.29Å; I598-T601 WeakPolarHBondContact CA-OG1 3.4Å; I598-T601 CarbonylContact O-C 3.33Å; I598-T601 WeakPolarHBondContact O-CA 3.44Å; I598-T601 PolarHBondContact O-N 2.87Å; I598-T601 PolarHBondContact O-OG1 3.24Å; T601-S604 WeakPolarHBondContact CA-OG 3.28Å; T601-S604 PolarHBondContact O-N 3.22Å; T601-S604 PolarHBondContact O-OG 3.03Å; T601-K605 WeakPolarHBondContact O-CB 3.5Å; T601-K605 PolarHBondContact O-N 3.14Å
602	E	57.2	Low	50.9	Low	113 Å²	113	105.2 Å²	105.2	53%	0.528	52%	0.519	S	S	.	.	H	α-helix	trans	-63.2	-47.9	174.3	-72.9	172.8	165.7	0	0	111.3	I598 K599 S604 K605 H606	I598-E602 HydrophobicContact CG2-CG 4.24Å; I598-E602 WeakPolarHBondContact O-CG 3.43Å; I598-E602 PolarHBondContact O-N 2.81Å; K599-E602 PolarHBondContact O-N 3.29Å; E602-S604 VanDerWaalsContact C-N 3.33Å; E602-S604 PolarHBondContact O-N 2.93Å; E602-K605 WeakPolarHBondContact O-CB 3.36Å; E602-K605 PolarHBondContact O-N 2.85Å; E602-H606 WeakPolarHBondContact O-CB 3.39Å; E602-H606 PolarHBondContact O-N 3.29Å
603	L	52	Low	49.2	Very low	115 Å²	115	110.4 Å²	110.4	60%	0.602	54%	0.544	S	S	*	.	H	α-helix	trans	-57.6	-44.4	172.8	-90.4	152.7	0	0	0	111.7	K599 H606 Q607	K599-L603 WeakPolarHBondContact O-CB 3.38Å; K599-L603 PolarHBondContact O-N 2.91Å; L603-H606 PolarHBondContact O-N 3.26Å; L603-Q607 WeakPolarHBondContact O-CG 3.4Å; L603-Q607 PolarHBondContact O-N 3.09Å
604	S	54	Low	47.7	Very low	54 Å²	54	115.6 Å²	115.6	38%	0.378	56%	0.557	S	S	.	*	H	α-helix	trans	-66.9	-36.9	177.4	75.4	0	0	0	0	112.8	A600 T601 E602 Q607 L608	A600-S604 WeakPolarHBondContact O-CB 3.42Å; A600-S604 PolarHBondContact O-N 3.16Å; A600-S604 PolarHBondContact O-OG 3.16Å; T601-S604 WeakPolarHBondContact CA-OG 3.28Å; T601-S604 PolarHBondContact O-N 3.22Å; T601-S604 PolarHBondContact O-OG 3.03Å; E602-S604 VanDerWaalsContact C-N 3.33Å; E602-S604 PolarHBondContact O-N 2.93Å; S604-Q607 PolarHBondContact O-N 3.03Å; S604-L608 WeakPolarHBondContact O-CB 3.38Å; S604-L608 WeakPolarHBondContact O-CG 3.47Å; S604-L608 PolarHBondContact O-N 3.06Å
605	K	48.2	Very low	46.2	Very low	143 Å²	143	118.6 Å²	118.6	62%	0.622	58%	0.58	S	S	*	*	H	α-helix	trans	-63	-46.2	171.3	-109.1	-174.5	171.9	-174.4	0	111	T601 E602 Q607 L608 D609	T601-K605 WeakPolarHBondContact O-CB 3.5Å; T601-K605 PolarHBondContact O-N 3.14Å; E602-K605 WeakPolarHBondContact O-CB 3.36Å; E602-K605 PolarHBondContact O-N 2.85Å; K605-Q607 VanDerWaalsContact C-N 3.26Å; K605-Q607 PolarHBondContact O-N 3.44Å; K605-L608 CarbonylContact O-C 3.43Å; K605-L608 PolarHBondContact O-N 3.2Å; K605-D609 PolarHBondContact O-N 3.36Å
606	H	48.7	Very low	45.1	Very low	130 Å²	130	123.5 Å²	123.5	60%	0.602	59%	0.594	S	S	*	*	H	α-helix	trans	-64.8	-31.8	-178.5	-140.4	-48.9	0	0	0	112.4	E602 L603 Q610	E602-H606 WeakPolarHBondContact O-CB 3.39Å; E602-H606 PolarHBondContact O-N 3.29Å; L603-H606 PolarHBondContact O-N 3.26Å; H606-Q610 WeakPolarHBondContact O-CG 3.37Å; H606-Q610 PolarHBondContact O-N 2.98Å
607	Q	42	Very low	44.5	Very low	124 Å²	124	123.6 Å²	123.6	58%	0.579	60%	0.601	S	S	*	*	H	α-helix	trans	-73.1	-38.9	169.9	-72.8	-177.4	-30.6	0	0	112.6	L603 S604 K605 H611	L603-Q607 WeakPolarHBondContact O-CG 3.4Å; L603-Q607 PolarHBondContact O-N 3.09Å; S604-Q607 PolarHBondContact O-N 3.03Å; K605-Q607 VanDerWaalsContact C-N 3.26Å; K605-Q607 PolarHBondContact O-N 3.44Å; Q607-H611 PolarHBondContact O-N 3.11Å
608	L	40.7	Very low	43.3	Very low	104 Å²	104	125.5 Å²	125.5	55%	0.545	62%	0.617	S	S	.	*	H	α-helix	trans	-68.1	-38.9	176.3	-82.4	162.8	0	0	0	113.2	S604 K605 H611 R612	S604-L608 WeakPolarHBondContact O-CB 3.38Å; S604-L608 WeakPolarHBondContact O-CG 3.47Å; S604-L608 PolarHBondContact O-N 3.06Å; K605-L608 CarbonylContact O-C 3.43Å; K605-L608 PolarHBondContact O-N 3.2Å; L608-H611 PolarHBondContact O-N 3.05Å; L608-R612 PolarHBondContact O-N 3.27Å
609	D	44.6	Very low	42.1	Very low	91 Å²	91	125.4 Å²	125.4	49%	0.487	64%	0.635	S	S	.	*	H	α-helix	trans	-71.4	-33.3	177.7	-70.8	-28.6	0	0	0	111.3	K605 H611 R612	K605-D609 PolarHBondContact O-N 3.36Å; D609-H611 PolarHBondContact O-N 3.04Å; D609-R612 PolarHBondContact O-N 3.39Å
610	Q	38.1	Very low	41.2	Very low	133 Å²	133	125.7 Å²	125.7	62%	0.621	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	-17.3	167.2	-80.6	-176.1	-7.8	0	0	113.7	H606 F614	H606-Q610 WeakPolarHBondContact O-CG 3.37Å; H606-Q610 PolarHBondContact O-N 2.98Å; Q610-F614 WeakPolarHBondContact O-CE2 3.49Å
611	H	38.8	Very low	40.3	Very low	136 Å²	136	129.8 Å²	129.8	63%	0.63	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	-2.9	172.9	-69.6	-8.3	0	0	0	113.8	Q607 L608 D609	Q607-H611 PolarHBondContact O-N 3.11Å; L608-H611 PolarHBondContact O-N 3.05Å; D609-H611 PolarHBondContact O-N 3.04Å
612	R	33.1	Very low	38.8	Very low	206 Å²	206	133.1 Å²	133.1	78%	0.777	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102	-5.7	-179.1	-77.8	-175.4	166.1	-125.9	-5.7	115.6	L608 D609	L608-R612 PolarHBondContact O-N 3.27Å; D609-R612 PolarHBondContact O-N 3.39Å
613	L	29.6	Very low	37.5	Very low	154 Å²	154	133.9 Å²	133.9	81%	0.806	68%	0.682	S	S	*	*			trans	-110.3	27.1	177.8	-77.3	165.7	0	0	0	113.9	V615	L613-V615 PolarHBondContact O-N 3.26Å
614	F	29.5	Very low	36.8	Very low	146 Å²	146	136.4 Å²	136.4	64%	0.64	70%	0.696	S	S	*	*			trans	-76.2	69.5	167.3	-79.8	-76.7	0	0	0	111.9	Q610	Q610-F614 WeakPolarHBondContact O-CE2 3.49Å
615	V	31.1	Very low	35.9	Very low	140 Å²	140	141.5 Å²	141.5	85%	0.848	71%	0.712	S	S	*	*			trans	-96.4	102.3	150.1	-177	0	0	0	0	106.7	L613	L613-V615 PolarHBondContact O-N 3.26Å
616	R	32	Very low	34.8	Very low	209 Å²	209	136.4 Å²	136.4	79%	0.789	69%	0.693	S	S	*	*			trans	-93.3	164.9	162	-80.9	-179.2	172.8	179.9	-2.6	108.2
617	P	40.1	Very low	34.1	Very low	113 Å²	113	134.3 Å²	134.3	73%	0.734	69%	0.691	S	S	*	*			cis	-128.6	162.2	-25.7	37.1	-23.4	0	0	0	111.9
618	E	31	Very low	33.8	Very low	194 Å²	194	139.3 Å²	139.3	91%	0.907	71%	0.711	S	S	*	*				-152.6	125.1	129.8	-76.4	-150.3	162.5	0	0	106.1
619	G	29.3	Very low	33.3	Very low	73 Å²	73	136.4 Å²	136.4	75%	0.753	71%	0.706	S	S	*	*			trans	-110.4	107.6	-175.7	0	0	0	0	0	110.5
620	P	31.9	Very low	32.5	Very low	127 Å²	127	140.7 Å²	140.7	83%	0.825	72%	0.721	S	S	*	*			trans	-74.1	137.1	164.4	-7.3	24.9	0	0	0	108.8
621	D	33.2	Very low	32.3	Very low	146 Å²	146	137.7 Å²	137.7	78%	0.781	71%	0.713	S	S	*	*			trans	-61.1	163.4	173.2	-76.4	-58.6	0	0	0	112.5
622	I	30.7	Very low	32	Very low	145 Å²	145	135.8 Å²	135.8	74%	0.744	72%	0.715	S	S	*	*			trans	87	91.9	164.2	-58.1	143.2	0	0	0	115.6
623	I	30.1	Very low	31.7	Very low	128 Å²	128	135.5 Å²	135.5	66%	0.656	72%	0.719	S	S	*	*				54.2	104	127.1	-54.2	174	0	0	0	115.8	K625	I623-K625 HydrophobicContact CG2-CB 3.64Å; I623-K625 HydrophobicContact CG2-CG 4.4Å
624	D	36.3	Very low	31.5	Very low	168 Å²	168	133.2 Å²	133.2	90%	0.898	71%	0.711	S	S	*	*				-111.6	90.8	123.4	-136.2	-22.3	0	0	0	108.5
625	K	34.7	Very low	31.4	Very low	162 Å²	162	135.4 Å²	135.4	70%	0.704	72%	0.72	S	S	*	*			trans	-72.9	150.6	-174.5	-130.6	-177	-173.7	171.1	0	107.8	I623	I623-K625 HydrophobicContact CG2-CB 3.64Å; I623-K625 HydrophobicContact CG2-CG 4.4Å
626	P	25.1	Very low	31.2	Very low	36 Å²	36	139.7 Å²	139.7	23%	0.234	72%	0.721	C	S	.	*			trans	-100.1	132.9	176.1	9	16.7	0	0	0	107.5	K628 G629 F630	P626-K628 PolarHBondContact O-N 3.01Å; P626-G629 VanDerWaalsContact CB-C 3.4Å; P626-G629 WeakPolarHBondContact CB-O 3.39Å; P626-G629 WeakPolarHBondContact O-CA 3.3Å; P626-F630 HydrophobicContact CB-CB 4Å; P626-F630 HydrophobicContact CB-CD1 4.01Å; P626-F630 HydrophobicContact CB-CD2 3.67Å; P626-F630 HydrophobicContact CB-CE1 4.35Å; P626-F630 HydrophobicContact CB-CE2 4.05Å; P626-F630 HydrophobicContact CB-CG 3.64Å; P626-F630 HydrophobicContact CB-CZ 4.37Å; P626-F630 HydrophobicContact CG-CD2 3.72Å; P626-F630 HydrophobicContact CG-CE1 4.48Å; P626-F630 HydrophobicContact CG-CE2 3.64Å; P626-F630 HydrophobicContact CG-CG 4.19Å; P626-F630 HydrophobicContact CG-CZ 4.04Å
627	P	34.3	Very low	31	Very low	85 Å²	85	134.4 Å²	134.4	55%	0.552	72%	0.716	S	S	*	*	S	Bend	trans	-85.9	101.3	-164.1	35.4	-34.4	0	0	0	110.5	P631	P627-P631 HydrophobicContact CG-CB 4.03Å; P627-P631 HydrophobicContact CG-CG 3.64Å
628	K	36.6	Very low	30.3	Very low	229 Å²	229	135.8 Å²	135.8	100%	0.996	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	73.3	11.7	-177.4	-38.6	-172.6	-178.8	-171.2	0	119.8	P626	P626-K628 PolarHBondContact O-N 3.01Å
629	G	28.9	Very low	30.2	Very low	43 Å²	43	130.1 Å²	130.1	44%	0.443	72%	0.716	S	S	.	*	T	Hydrogen-bonded Turn	cis	-153.4	95.5	-4.9	0	0	0	0	0	115.5	P626	P626-G629 VanDerWaalsContact CB-C 3.4Å; P626-G629 WeakPolarHBondContact CB-O 3.39Å; P626-G629 WeakPolarHBondContact O-CA 3.3Å
630	F	29.1	Very low	30	Very low	182 Å²	182	133.5 Å²	133.5	80%	0.798	72%	0.717	S	S	*	*			trans	-171.5	126.3	147.6	-120.5	-72.8	0	0	0	115.7	P626	P626-F630 HydrophobicContact CB-CB 4Å; P626-F630 HydrophobicContact CB-CD1 4.01Å; P626-F630 HydrophobicContact CB-CD2 3.67Å; P626-F630 HydrophobicContact CB-CE1 4.35Å; P626-F630 HydrophobicContact CB-CE2 4.05Å; P626-F630 HydrophobicContact CB-CG 3.64Å; P626-F630 HydrophobicContact CB-CZ 4.37Å; P626-F630 HydrophobicContact CG-CD2 3.72Å; P626-F630 HydrophobicContact CG-CE1 4.48Å; P626-F630 HydrophobicContact CG-CE2 3.64Å; P626-F630 HydrophobicContact CG-CG 4.19Å; P626-F630 HydrophobicContact CG-CZ 4.04Å
631	P	32.1	Very low	29.9	Very low	70 Å²	70	133.6 Å²	133.6	46%	0.455	72%	0.721	S	S	.	*			trans	-139.3	153.6	174.5	48	-29.5	0	0	0	116	P627	P627-P631 HydrophobicContact CG-CB 4.03Å; P627-P631 HydrophobicContact CG-CG 3.64Å
632	S	32.7	Very low	29.7	Very low	96 Å²	96	136.1 Å²	136.1	67%	0.671	73%	0.725	S	S	*	*			trans	-34.7	136.9	159.4	54.7	0	0	0	0	118.3
633	K	26.7	Very low	29.3	Very low	199 Å²	199	139 Å²	139	87%	0.865	73%	0.726	S	S	*	*				-170.9	157.7	98.8	-93.8	161.9	-175.5	177.8	0	109.2
634	V	26.4	Very low	29.2	Very low	106 Å²	106	138.3 Å²	138.3	64%	0.642	73%	0.733	S	S	*	*			cis	171.6	124.2	-28.6	137.3	0	0	0	0	105.4
635	K	27.4	Very low	28.6	Very low	192 Å²	192	138.1 Å²	138.1	84%	0.835	73%	0.727	S	S	*	*			trans	61.5	138.8	162.4	-64	170	-178.6	-178.3	0	118
636	R	25.8	Very low	28.1	Very low	230 Å²	230	138 Å²	138	87%	0.868	73%	0.733	S	S	*	*				-169.9	148	75	-93.9	-177.2	175.6	171.9	-0.8	114.4
637	S	27.9	Very low	28.2	Very low	98 Å²	98	141 Å²	141	69%	0.685	76%	0.755	S	S	*	*			trans	39.6	114.1	145.3	57.1	0	0	0	0	120.6
638	V	26.3	Very low	27.8	Very low	142 Å²	142	144 Å²	144	86%	0.861	76%	0.759	S	S	*	*				71.8	117.6	76	173.6	0	0	0	0	113.4
639	G	28.6	Very low	27.3	Very low	75 Å²	75	139.6 Å²	139.6	77%	0.773	75%	0.752	S	S	*	*			trans	-149.9	123	166.8	0	0	0	0	0	110
640	D	26	Very low	27.2	Very low	144 Å²	144	142.5 Å²	142.5	77%	0.77	77%	0.765	S	S	*	*			trans	-74.2	153.2	-173.3	-66.9	-75.2	0	0	0	114.2
641	S	29.3	Very low	27	Very low	130 Å²	130	143.8 Å²	143.8	91%	0.909	77%	0.771	S	S	*	*			trans	-156.3	127.6	142.7	-86.4	0	0	0	0	114.6
642	K	27.8	Very low	26.7	Very low	199 Å²	199	143.9 Å²	143.9	87%	0.865	78%	0.777	S	S	*	*			trans	-74	178.8	174.8	-67.3	163.4	-176.7	169	0	111
643	R	22.9	Very low	26.4	Very low	204 Å²	204	146 Å²	146	77%	0.77	78%	0.781	S	S	*	*			cis	172.6	125.1	-26.6	172.6	-172	176.2	178.7	-0.3	107.5
644	S	27.9	Very low	26.2	Very low	114 Å²	114	142.1 Å²	142.1	80%	0.797	77%	0.774	S	S	*	*			trans	177.9	133.7	157.1	42.2	0	0	0	0	106.8
645	Q	24.2	Very low	26.2	Very low	164 Å²	164	144.3 Å²	144.3	77%	0.766	78%	0.78	S	S	*	*			cis	70.2	101.2	29.2	-69.6	-159.2	-28.7	0	0	116
646	L	24.5	Very low	26.1	Very low	159 Å²	159	140.9 Å²	140.9	83%	0.832	78%	0.776	S	S	*	*			trans	-148.3	168.5	157.8	-108.6	156.7	0	0	0	108.4
647	S	26.6	Very low	26.2	Very low	100 Å²	100	137 Å²	137	70%	0.699	77%	0.772	S	S	*	*			trans	-130.2	149.6	-140	52.7	0	0	0	0	117.3
648	K	26.5	Very low	26.3	Very low	148 Å²	148	138.7 Å²	138.7	64%	0.643	78%	0.781	S	S	*	*			trans	-30.9	143.5	166.4	-58.1	170.5	177.6	178.7	0	116.3
649	T	25.2	Very low	26.2	Very low	136 Å²	136	136.9 Å²	136.9	83%	0.834	77%	0.774	S	S	*	*			trans	-140.6	158.1	139.4	45.4	0	0	0	0	111
650	S	26.6	Very low	26.1	Very low	105 Å²	105	142.7 Å²	142.7	73%	0.734	78%	0.778	S	S	*	*			trans	-117.4	156.7	-169.9	50	0	0	0	0	112.5
651	K	26.3	Very low	26	Very low	209 Å²	209	140.4 Å²	140.4	91%	0.909	77%	0.774	S	S	*	*			trans	-167.5	127.3	152.1	-110.3	161.7	-171.5	179.1	0	112.2
652	A	24.4	Very low	25.8	Very low	72 Å²	72	141.5 Å²	141.5	60%	0.595	78%	0.775	S	S	*	*			trans	-91.5	166.8	175.2	0	0	0	0	0	111.8
653	N	26.6	Very low	25.6	Very low	141 Å²	141	140 Å²	140	75%	0.754	77%	0.771	S	S	*	*			trans	-157.6	131.2	150.1	-107.4	-19.6	0	0	0	114.8	K772	N653-K772 PolarHBondContact O-NZ 3.44Å
654	V	23.5	Very low	25.6	Very low	116 Å²	116	136.4 Å²	136.4	70%	0.703	77%	0.767	S	S	*	*			trans	-100.5	134.8	-178.3	174.8	0	0	0	0	110.1	T656	V654-T656 HydrophobicContact CG1-CG2 4.49Å
655	I	25.9	Very low	25.5	Very low	153 Å²	153	141.6 Å²	141.6	79%	0.785	77%	0.771	S	S	*	*			trans	-147	146.5	160.3	-60.7	-172.3	0	0	0	107.1
656	T	24.3	Very low	25.4	Very low	120 Å²	120	139.7 Å²	139.7	74%	0.736	77%	0.77	S	S	*	*			trans	-112.8	179	-161	45.5	0	0	0	0	114.9	V654	V654-T656 HydrophobicContact CG1-CG2 4.49Å
657	D	29.8	Very low	25.5	Very low	149 Å²	149	139.9 Å²	139.9	80%	0.797	77%	0.772	S	S	*	*			trans	-50.5	164.1	179.2	-69.3	-65.6	0	0	0	116.9
658	P	28.3	Very low	25.4	Very low	132 Å²	132	139.9 Å²	139.9	86%	0.857	77%	0.772	S	S	*	*				-136.8	151.9	106.9	37.7	-27.6	0	0	0	116.1
659	S	24.4	Very low	25.2	Very low	104 Å²	104	142 Å²	142	73%	0.727	78%	0.784	S	S	*	*			trans	-107.4	154.7	178.3	57.7	0	0	0	0	113
660	K	27.7	Very low	25.1	Very low	197 Å²	197	144.6 Å²	144.6	86%	0.857	79%	0.787	S	S	*	*			trans	162	116.9	150.9	-95.1	166	-175.8	-177.9	0	109.5
661	S	23.7	Very low	24.9	Very low	97 Å²	97	148 Å²	148	68%	0.678	79%	0.789	S	S	*	*				98.6	114.8	64.7	71.1	0	0	0	0	113.1
662	T	25.5	Very low	24.7	Very low	153 Å²	153	144.6 Å²	144.6	94%	0.939	79%	0.785	S	S	*	*			trans	-168.7	148.9	144.1	10.3	0	0	0	0	110.8
663	Q	23.1	Very low	24.6	Very low	168 Å²	168	150.6 Å²	150.6	79%	0.785	79%	0.794	S	S	*	*			trans	-120.7	172.6	-169.1	-73	177.3	-53.1	0	0	112.6
664	N	23.6	Very low	24.7	Very low	127 Å²	127	149.7 Å²	149.7	68%	0.679	80%	0.796	S	S	*	*			trans	70.6	133.7	160.4	-51.9	-27.3	0	0	0	115.5
665	Y	25	Very low	24.6	Very low	223 Å²	223	153.8 Å²	153.8	88%	0.875	80%	0.804	S	S	*	*			cis	-148.5	155.7	45.4	-107	-94.7	0	0	0	113
666	V	22.4	Very low	24.5	Very low	125 Å²	125	151.3 Å²	151.3	76%	0.758	81%	0.806	S	S	*	*			trans	-111.1	137.2	169.8	171.2	0	0	0	0	108.4
667	N	25.4	Very low	24.5	Very low	162 Å²	162	152.6 Å²	152.6	87%	0.866	81%	0.808	S	S	*	*			trans	-158.1	142.9	140.8	-116.2	-14.9	0	0	0	112.9
668	S	24.3	Very low	24.2	Very low	101 Å²	101	150.2 Å²	150.2	71%	0.706	80%	0.803	S	S	*	*			trans	-100.3	157	-175.7	45.5	0	0	0	0	111.7
669	Q	23.6	Very low	23.9	Very low	192 Å²	192	148.5 Å²	148.5	90%	0.897	80%	0.795	S	S	*	*			trans	-161.2	115.5	147.6	-114	171.9	17.9	0	0	111
670	E	22.1	Very low	24	Very low	191 Å²	191	151.3 Å²	151.3	89%	0.893	80%	0.802	S	S	*	*			trans	-80.3	148.1	171.3	-65.5	174.8	124.1	0	0	110.3
671	K	22.9	Very low	23.7	Very low	176 Å²	176	149.9 Å²	149.9	77%	0.765	80%	0.798	S	S	*	*			trans	-117.3	118.6	171.1	-77.4	-171.6	174.6	-175.9	0	110.6	Y673	K671-Y673 HydrophobicContact CB-CE2 4.46Å
672	V	21.4	Very low	23.8	Very low	138 Å²	138	154 Å²	154	84%	0.836	81%	0.811	S	S	*	*			trans	-84.4	138.4	174.7	178	0	0	0	0	109.4
673	Y	22.2	Very low	23.7	Very low	197 Å²	197	153.4 Å²	153.4	77%	0.773	80%	0.798	S	S	*	*			trans	-121.7	140.3	168.3	-76.5	-83.4	0	0	0	110.1	K671	K671-Y673 HydrophobicContact CB-CE2 4.46Å
674	P	28.6	Very low	23.7	Very low	123 Å²	123	153.9 Å²	153.9	80%	0.799	80%	0.798	S	S	*	*			trans	-90.8	163.4	-168.9	34.8	-34.1	0	0	0	114.3
675	K	21.9	Very low	23.8	Very low	202 Å²	202	156.8 Å²	156.8	88%	0.878	81%	0.807	S	S	*	*			trans	-79	151.9	177.4	-64.1	172.4	176.2	176.5	0	111.8
676	A	23.3	Very low	23.8	Very low	100 Å²	100	152.8 Å²	152.8	83%	0.826	80%	0.801	S	S	*	*			trans	-118.3	137.9	163.9	0	0	0	0	0	110.4
677	N	24.5	Very low	24	Very low	147 Å²	147	154.7 Å²	154.7	79%	0.786	81%	0.807	S	S	*	*			trans	-92.8	133.5	171.4	-64.1	-23.3	0	0	0	107.1
678	S	23.6	Very low	23.9	Very low	99 Å²	99	154.2 Å²	154.2	69%	0.692	80%	0.804	S	S	*	*				101.8	143.9	79.3	72.4	0	0	0	0	112
679	S	22.4	Very low	24	Very low	96 Å²	96	158 Å²	158	67%	0.671	82%	0.815	S	S	*	*			trans	54.8	121.4	158.7	53.9	0	0	0	0	119.2
680	D	26.9	Very low	24	Very low	164 Å²	164	154.1 Å²	154.1	88%	0.877	81%	0.81	S	S	*	*				-159.7	156	98.3	-89.8	-19.1	0	0	0	112.3
681	E	21.9	Very low	24.2	Very low	166 Å²	166	153.2 Å²	153.2	78%	0.776	81%	0.809	S	S	*	*			trans	-92.9	145.9	-171.9	-53.7	176.5	123.1	0	0	112.2
682	L	25.5	Very low	24.3	Very low	183 Å²	183	151.7 Å²	151.7	96%	0.958	81%	0.809	S	S	*	*			trans	-137	137.5	152.6	-79.5	179.2	0	0	0	110.4
683	Q	23.2	Very low	24.3	Very low	142 Å²	142	149.9 Å²	149.9	66%	0.664	80%	0.803	S	S	*	*			trans	-102.4	152.1	-167	-61.7	-174.8	7.5	0	0	112.9
684	K	23.7	Very low	24.5	Very low	178 Å²	178	146.9 Å²	146.9	77%	0.774	81%	0.805	S	S	*	*			trans	38.6	129.2	141.7	-64.5	171.4	179.6	170.3	0	119.8
685	E	25	Very low	24.3	Very low	188 Å²	188	149.3 Å²	149.3	88%	0.879	81%	0.806	S	S	*	*				-149.3	136.4	119.6	-118.9	168.4	-159.3	0	0	110.8
686	N	24	Very low	24.4	Very low	139 Å²	139	147.1 Å²	147.1	74%	0.743	80%	0.802	S	S	*	*			trans	-104.3	148	175.5	-74.4	-18.8	0	0	0	108.5
687	N	28	Very low	24.6	Very low	164 Å²	164	150.5 Å²	150.5	88%	0.877	81%	0.805	S	S	*	*			trans	-144.2	117.1	158.5	-92.1	-47	0	0	0	110.5
688	D	23.4	Very low	24.6	Very low	152 Å²	152	152.8 Å²	152.8	81%	0.813	81%	0.808	S	S	*	*			trans	-84.9	138	175.4	-70.2	-61.1	0	0	0	111
689	L	26.1	Very low	24.8	Very low	181 Å²	181	155.3 Å²	155.3	95%	0.948	82%	0.82	S	S	*	*			trans	-141	113.2	158.2	-81.5	-179.9	0	0	0	111
690	S	23.9	Very low	24.9	Very low	111 Å²	111	160.4 Å²	160.4	78%	0.776	83%	0.83	S	S	*	*			trans	-98.4	133.7	175.9	57.6	0	0	0	0	111.5
691	I	26.1	Very low	25	Very low	172 Å²	172	161.4 Å²	161.4	88%	0.882	83%	0.829	S	S	*	*			trans	-132	140.1	166.3	-62.3	-176.8	0	0	0	109.5
692	N	24	Very low	25.4	Very low	143 Å²	143	159.5 Å²	159.5	77%	0.765	83%	0.834	S	S	*	*			trans	-106.2	150.8	-167	-95.8	-30.8	0	0	0	113.2
693	S	23.1	Very low	25.6	Very low	100 Å²	100	160 Å²	160	70%	0.699	83%	0.829	S	S	*	*			trans	53.6	131.9	142.6	-47.6	0	0	0	0	119.6
694	T	25.5	Very low	26	Very low	134 Å²	134	157.1 Å²	157.1	82%	0.822	82%	0.822	S	S	*	*				-167.8	172.1	63.8	33.3	0	0	0	0	114.3
695	E	23.4	Very low	26.8	Very low	175 Å²	175	153.8 Å²	153.8	82%	0.818	81%	0.813	S	S	*	*			trans	-48.9	159.9	-177.4	-52.7	168.4	114.9	0	0	118.5
696	I	25.4	Very low	27	Very low	155 Å²	155	153 Å²	153	80%	0.795	80%	0.802	S	S	*	*				-172.5	135.1	122	-101.7	162.2	0	0	0	115.5
697	L	26.2	Very low	27.7	Very low	171 Å²	171	149.3 Å²	149.3	90%	0.895	79%	0.79	S	S	*	*			trans	71.9	148.7	158.3	-74.3	168.8	0	0	0	124.1
698	K	25.8	Very low	28.2	Very low	196 Å²	196	144.7 Å²	144.7	85%	0.852	77%	0.771	S	S	*	*			trans	-120	134.1	-167.5	-57.6	163.8	178	169	0	111.2
699	T	27.5	Very low	28.8	Very low	151 Å²	151	141.3 Å²	141.3	93%	0.926	75%	0.752	S	S	*	*			trans	-152.4	150.1	149.9	33.8	0	0	0	0	112.4
700	K	25.3	Very low	29.3	Very low	203 Å²	203	137.4 Å²	137.4	88%	0.883	73%	0.731	S	S	*	*			trans	-60.1	129.1	-170.4	-56.1	164.6	178.3	176.1	0	114.4
701	E	28.6	Very low	30	Very low	185 Å²	185	136.5 Å²	136.5	86%	0.864	72%	0.721	S	S	*	*				176.5	137.6	106.2	-94.4	-174.8	-178	0	0	110.5	K703	E701-K703 PolarHBondContact O-N 2.95Å
702	S	28.9	Very low	30.6	Very low	127 Å²	127	135.8 Å²	135.8	89%	0.888	71%	0.712	S	S	*	*			trans	-81.5	79.9	-160.4	59.5	0	0	0	0	114.4
703	K	30.2	Very low	31.3	Very low	193 Å²	193	132.4 Å²	132.4	84%	0.839	70%	0.696	S	S	*	*			trans	-78.8	143.7	153.6	-77.2	177.4	179.6	171.6	0	109.4	E701 N705	E701-K703 PolarHBondContact O-N 2.95Å; K703-N705 PolarHBondContact O-N 3.36Å
704	P	31.1	Very low	31.9	Very low	82 Å²	82	130.9 Å²	130.9	53%	0.532	69%	0.685	S	S	.	*			trans	-61.4	129.4	-171	23.6	-33.4	0	0	0	110.9	W706	P704-W706 VanDerWaalsContact C-N 3.3Å; P704-W706 PolarHBondContact O-N 3.49Å
705	N	40.5	Very low	32.8	Very low	108 Å²	108	127.9 Å²	127.9	58%	0.578	67%	0.67	S	S	*	*			trans	-72.5	86.8	179.5	-175.9	-13	0	0	0	110	K703 A707 S708 I709	K703-N705 PolarHBondContact O-N 3.36Å; N705-A707 PolarHBondContact O-N 3.01Å; N705-A707 WeakPolarHBondContact OD1-CB 3.45Å; N705-A707 PolarHBondContact OD1-N 3.2Å; N705-A707 VanDerWaalsContact OD1-N 3.13Å; N705-S708 WeakPolarHBondContact O-CB 3.49Å; N705-S708 PolarHBondContact O-N 2.91Å; N705-S708 PolarHBondContact OD1-N 2.84Å; N705-I709 PolarHBondContact O-N 3.43Å
706	W	30.8	Very low	33.6	Very low	172 Å²	172	127.4 Å²	127.4	65%	0.652	66%	0.662	S	S	*	*	H	α-helix	trans	-55.1	-31.3	177.8	-70.5	102.1	0	0	0	112.8	P704 S708 I709 I710	P704-W706 VanDerWaalsContact C-N 3.3Å; P704-W706 PolarHBondContact O-N 3.49Å; W706-S708 PolarHBondContact O-N 2.99Å; W706-I709 HydrophobicContact CE3-CD1 4.38Å; W706-I709 PolarHBondContact O-N 3.28Å; W706-I710 HydrophobicContact CB-CD1 4.4Å; W706-I710 WeakPolarHBondContact O-CB 3.33Å; W706-I710 WeakPolarHBondContact O-CD1 3.39Å; W706-I710 WeakPolarHBondContact O-CG1 3.46Å; W706-I710 PolarHBondContact O-N 3.24Å
707	A	37.1	Very low	34	Very low	60 Å²	60	127.8 Å²	127.8	50%	0.496	65%	0.654	S	S	.	*	H	α-helix	trans	-64.2	-38.7	175.8	0	0	0	0	0	111.8	N705 I709 I710 T711	N705-A707 PolarHBondContact O-N 3.01Å; N705-A707 WeakPolarHBondContact OD1-CB 3.45Å; N705-A707 PolarHBondContact OD1-N 3.2Å; N705-A707 VanDerWaalsContact OD1-N 3.13Å; A707-I709 PolarHBondContact O-N 3.17Å; A707-I710 PolarHBondContact O-N 3.02Å; A707-T711 WeakPolarHBondContact O-CB 3.37Å; A707-T711 PolarHBondContact O-N 3.13Å; A707-T711 PolarHBondContact O-OG1 3.2Å
708	S	39.2	Very low	35	Very low	67 Å²	67	123.5 Å²	123.5	47%	0.469	64%	0.639	S	S	.	*	H	α-helix	trans	-66.1	-37.8	174.7	-171.9	0	0	0	0	112.4	N705 W706 K712	N705-S708 WeakPolarHBondContact O-CB 3.49Å; N705-S708 PolarHBondContact O-N 2.91Å; N705-S708 PolarHBondContact OD1-N 2.84Å; W706-S708 PolarHBondContact O-N 2.99Å; S708-K712 WeakPolarHBondContact O-CB 3.33Å; S708-K712 PolarHBondContact O-N 3.25Å
709	I	36.5	Very low	35.8	Very low	81 Å²	81	116.5 Å²	116.5	42%	0.415	62%	0.622	S	S	.	*	H	α-helix	trans	-66.7	-48.1	175.1	-61.5	175	0	0	0	110.2	N705 W706 A707 T711 K712 V713	N705-I709 PolarHBondContact O-N 3.43Å; W706-I709 HydrophobicContact CE3-CD1 4.38Å; W706-I709 PolarHBondContact O-N 3.28Å; A707-I709 PolarHBondContact O-N 3.17Å; I709-T711 PolarHBondContact O-N 2.8Å; I709-K712 PolarHBondContact O-N 3.47Å; I709-V713 HydrophobicContact CG2-CG2 4.4Å; I709-V713 WeakPolarHBondContact O-CB 3.44Å; I709-V713 VanDerWaalsContact O-CG2 3.3Å; I709-V713 WeakPolarHBondContact O-CG2 3.42Å; I709-V713 PolarHBondContact O-N 3.34Å
710	I	35.6	Very low	36.5	Very low	100 Å²	100	114 Å²	114	51%	0.513	60%	0.599	S	S	.	*	H	α-helix	trans	-61.8	-42.1	178.5	-69.3	163.8	0	0	0	110.5	W706 A707 V713 S714	W706-I710 HydrophobicContact CB-CD1 4.4Å; W706-I710 WeakPolarHBondContact O-CB 3.33Å; W706-I710 WeakPolarHBondContact O-CD1 3.39Å; W706-I710 WeakPolarHBondContact O-CG1 3.46Å; W706-I710 PolarHBondContact O-N 3.24Å; A707-I710 PolarHBondContact O-N 3.02Å; I710-V713 PolarHBondContact O-N 3.49Å; I710-S714 WeakPolarHBondContact O-CB 3.3Å; I710-S714 PolarHBondContact O-N 2.85Å; I710-S714 PolarHBondContact O-OG 3Å
711	T	38.3	Very low	37	Very low	92 Å²	92	108.1 Å²	108.1	56%	0.564	58%	0.58	S	S	*	*	H	α-helix	trans	-65.6	-39.6	175.4	-57.1	0	0	0	0	112.1	A707 I709 S714 S715	A707-T711 WeakPolarHBondContact O-CB 3.37Å; A707-T711 PolarHBondContact O-N 3.13Å; A707-T711 PolarHBondContact O-OG1 3.2Å; I709-T711 PolarHBondContact O-N 2.8Å; T711-S714 PolarHBondContact O-N 3.3Å; T711-S715 WeakPolarHBondContact O-CB 3.4Å; T711-S715 PolarHBondContact O-N 3.37Å; T711-S715 PolarHBondContact O-OG 3.05Å
712	K	38.6	Very low	37.3	Very low	156 Å²	156	105 Å²	105	68%	0.678	57%	0.569	S	S	*	*	H	α-helix	trans	-64.2	-38.4	172.7	-99.1	-175.5	173.1	179.1	0	112.8	S708 I709 S715 Y716	S708-K712 WeakPolarHBondContact O-CB 3.33Å; S708-K712 PolarHBondContact O-N 3.25Å; I709-K712 PolarHBondContact O-N 3.47Å; K712-S715 PolarHBondContact O-OG 3.19Å; K712-Y716 WeakPolarHBondContact O-CB 3.42Å; K712-Y716 PolarHBondContact O-N 3.28Å; K712-Y716 VanDerWaalsContact O-N 3.13Å
713	V	38.7	Very low	37.9	Very low	73 Å²	73	103.6 Å²	103.6	44%	0.442	55%	0.552	S	S	.	*	H	α-helix	trans	-68.6	-45.3	176.5	170.6	0	0	0	0	110.2	I709 I710 Y716 Y717	I709-V713 HydrophobicContact CG2-CG2 4.4Å; I709-V713 WeakPolarHBondContact O-CB 3.44Å; I709-V713 VanDerWaalsContact O-CG2 3.3Å; I709-V713 WeakPolarHBondContact O-CG2 3.42Å; I709-V713 PolarHBondContact O-N 3.34Å; I710-V713 PolarHBondContact O-N 3.49Å; V713-Y716 WeakPolarHBondContact O-CB 2.89Å; V713-Y716 PolarHBondContact O-N 3.07Å; V713-Y717 HydrophobicContact CG1-CD2 3.86Å; V713-Y717 HydrophobicContact CG1-CE2 3.72Å; V713-Y717 WeakPolarHBondContact O-CD2 3.5Å; V713-Y717 PolarHBondContact O-N 3.12Å; V713-Y717 VanDerWaalsContact O-N 3.16Å
714	S	36.3	Very low	38.1	Very low	67 Å²	67	101.8 Å²	101.8	47%	0.469	54%	0.54	S	S	.	.	H	α-helix	trans	-65.9	-36.6	178.1	-64.1	0	0	0	0	113.2	I710 T711 Y717 S718	I710-S714 WeakPolarHBondContact O-CB 3.3Å; I710-S714 PolarHBondContact O-N 2.85Å; I710-S714 PolarHBondContact O-OG 3Å; T711-S714 PolarHBondContact O-N 3.3Å; S714-Y717 PolarHBondContact O-N 3.27Å; S714-S718 PolarHBondContact O-N 3.44Å; S714-S718 VanDerWaalsContact O-N 3.09Å; S714-S718 PolarHBondContact O-OG 3.4Å; S714-S718 VanDerWaalsContact O-OG 3.11Å
715	S	44	Very low	38.4	Very low	71 Å²	71	101.8 Å²	101.8	50%	0.497	54%	0.539	S	S	.	.	H	α-helix	trans	-71.2	-30.7	174.3	67.7	0	0	0	0	112.8	T711 K712 Y717 S718	T711-S715 WeakPolarHBondContact O-CB 3.4Å; T711-S715 PolarHBondContact O-N 3.37Å; T711-S715 PolarHBondContact O-OG 3.05Å; K712-S715 PolarHBondContact O-OG 3.19Å; S715-Y717 VanDerWaalsContact C-N 3.33Å; S715-S718 PolarHBondContact O-OG 3.04Å
716	Y	40.4	Very low	38.3	Very low	166 Å²	166	104.5 Å²	104.5	65%	0.651	55%	0.545	S	S	*	.	H	α-helix	trans	-65.8	-36.6	173.1	-146.4	-94.4	0	0	0	112.1	K712 V713	K712-Y716 WeakPolarHBondContact O-CB 3.42Å; K712-Y716 PolarHBondContact O-N 3.28Å; K712-Y716 VanDerWaalsContact O-N 3.13Å; V713-Y716 WeakPolarHBondContact O-CB 2.89Å; V713-Y716 PolarHBondContact O-N 3.07Å
717	Y	35.1	Very low	38.8	Very low	163 Å²	163	104.1 Å²	104.1	64%	0.639	55%	0.548	S	S	*	.	H	α-helix	trans	-84.6	-23.2	-179.8	-74.7	-62.1	0	0	0	115.1	V713 S714 S715 V721	V713-Y717 HydrophobicContact CG1-CD2 3.86Å; V713-Y717 HydrophobicContact CG1-CE2 3.72Å; V713-Y717 WeakPolarHBondContact O-CD2 3.5Å; V713-Y717 PolarHBondContact O-N 3.12Å; V713-Y717 VanDerWaalsContact O-N 3.16Å; S714-Y717 PolarHBondContact O-N 3.27Å; S715-Y717 VanDerWaalsContact C-N 3.33Å; Y717-V721 WeakPolarHBondContact O-CG2 3.34Å
718	S	46.1	Very low	38.7	Very low	81 Å²	81	107.9 Å²	107.9	57%	0.566	56%	0.559	S	S	*	*	H	α-helix	trans	-83.2	-30	-178.5	57.2	0	0	0	0	114.4	S714 S715	S714-S718 PolarHBondContact O-N 3.44Å; S714-S718 VanDerWaalsContact O-N 3.09Å; S714-S718 PolarHBondContact O-OG 3.4Å; S714-S718 VanDerWaalsContact O-OG 3.11Å; S715-S718 PolarHBondContact O-OG 3.04Å
719	G	43.7	Very low	38.4	Very low	48 Å²	48	112 Å²	112	50%	0.495	58%	0.576	S	S	.	*	H	α-helix	trans	-80	-63.6	-177.9	0	0	0	0	0	114.8	V721	G719-V721 PolarHBondContact O-N 2.88Å
720	E	40.7	Very low	38.1	Very low	98 Å²	98	119.6 Å²	119.6	46%	0.458	60%	0.599	S	S	.	*	H	α-helix	trans	-71.9	-25.6	-168.5	-76.7	-152	107.3	0	0	114.6	R724	E720-R724 WeakPolarHBondContact O-CG 3.37Å; E720-R724 PolarHBondContact O-N 2.92Å; E720-R724 IonicContact OE1-CZ 2.69Å; E720-R724 IonicContact OE1-NH2 2.62Å; E720-R724 PolarHBondContact OE1-NH2 3.25Å; E720-R724 IonicContact OE2-NH2 3.34Å; E720-R724 PolarHBondContact OE2-NH2 3.41Å
721	V	35.7	Very low	37.8	Very low	80 Å²	80	117.8 Å²	117.8	49%	0.485	61%	0.605	S	S	.	*	H	α-helix	trans	-75.6	-40.8	-173.6	-177.7	0	0	0	0	111.5	Y717 G719 D723 R724 T725	Y717-V721 WeakPolarHBondContact O-CG2 3.34Å; G719-V721 PolarHBondContact O-N 2.88Å; V721-D723 VanDerWaalsContact C-N 3.35Å; V721-D723 PolarHBondContact O-N 3.23Å; V721-R724 PolarHBondContact O-N 3.42Å; V721-T725 PolarHBondContact O-N 2.88Å; V721-T725 PolarHBondContact O-OG1 3.47Å
722	L	35.3	Very low	37.3	Very low	119 Å²	119	119.4 Å²	119.4	62%	0.623	62%	0.62	S	S	*	*	H	α-helix	trans	-67.8	-33.4	-180	-113.3	85	0	0	0	113.1	T725 K726	L722-T725 PolarHBondContact O-OG1 3.2Å; L722-K726 PolarHBondContact O-N 3.01Å
723	D	42.8	Very low	36.9	Very low	99 Å²	99	119.2 Å²	119.2	53%	0.529	63%	0.625	S	S	.	*	H	α-helix	trans	-80.3	-27.5	-177.6	-138.2	47.1	0	0	0	112	V721 K727	V721-D723 VanDerWaalsContact C-N 3.35Å; V721-D723 PolarHBondContact O-N 3.23Å; D723-K727 PolarHBondContact O-N 3.11Å
724	R	34.1	Very low	36.5	Very low	154 Å²	154	121 Å²	121	58%	0.581	64%	0.641	S	S	*	*	H	α-helix	trans	-73.4	-35.6	172.2	-71	-177.1	-167.4	-171.4	10.7	112.7	E720 V721 K727 L728	E720-R724 WeakPolarHBondContact O-CG 3.37Å; E720-R724 PolarHBondContact O-N 2.92Å; E720-R724 IonicContact OE1-CZ 2.69Å; E720-R724 IonicContact OE1-NH2 2.62Å; E720-R724 PolarHBondContact OE1-NH2 3.25Å; E720-R724 IonicContact OE2-NH2 3.34Å; E720-R724 PolarHBondContact OE2-NH2 3.41Å; V721-R724 PolarHBondContact O-N 3.42Å; R724-K727 PolarHBondContact O-N 3.41Å; R724-L728 PolarHBondContact O-N 2.92Å
725	T	36.3	Very low	36.2	Very low	83 Å²	83	124.3 Å²	124.3	51%	0.509	65%	0.653	S	S	.	*	H	α-helix	trans	-65.1	-40.4	174.5	46.1	0	0	0	0	111.8	V721 L722 K727 L728	V721-T725 PolarHBondContact O-N 2.88Å; V721-T725 PolarHBondContact O-OG1 3.47Å; L722-T725 PolarHBondContact O-OG1 3.2Å; T725-K727 VanDerWaalsContact C-N 3.27Å; T725-K727 PolarHBondContact O-N 3.33Å; T725-L728 PolarHBondContact O-N 2.89Å
726	K	39.3	Very low	35.5	Very low	165 Å²	165	130 Å²	130	72%	0.717	67%	0.669	S	S	*	*	H	α-helix	trans	-67	-20.5	176.3	-74.3	-175.2	177.4	177.7	0	115.1	L722	L722-K726 PolarHBondContact O-N 3.01Å
727	K	40.9	Very low	34.8	Very low	164 Å²	164	133.2 Å²	133.2	71%	0.713	68%	0.68	S	S	*	*	H	α-helix	trans	-89.8	-12.1	176.1	-80.8	178.8	177.7	163.3	0	114.6	D723 R724 T725	D723-K727 PolarHBondContact O-N 3.11Å; R724-K727 PolarHBondContact O-N 3.41Å; T725-K727 VanDerWaalsContact C-N 3.27Å; T725-K727 PolarHBondContact O-N 3.33Å
728	L	34.9	Very low	34.5	Very low	138 Å²	138	134.7 Å²	134.7	72%	0.723	69%	0.69	S	S	*	*	H	α-helix	trans	-90	-18	-176.7	-82.2	162.2	0	0	0	114.6	R724 T725 R730	R724-L728 PolarHBondContact O-N 2.92Å; T725-L728 PolarHBondContact O-N 2.89Å; L728-R730 PolarHBondContact O-N 3.46Å
729	D	33	Very low	33.6	Very low	153 Å²	153	136.8 Å²	136.8	82%	0.818	70%	0.701	S	S	*	*	S	Bend	trans	-78.2	11.8	177.8	-84.4	-18.2	0	0	0	115
730	R	29.7	Very low	32.6	Very low	241 Å²	241	142.6 Å²	142.6	91%	0.909	72%	0.721	S	S	*	*	S	Bend	trans	-135.2	75.8	174	-67.1	-170.3	-178.6	-173.3	1.2	111.6	L728	L728-R730 PolarHBondContact O-N 3.46Å
731	G	30.1	Very low	31.8	Very low	62 Å²	62	143.4 Å²	143.4	64%	0.639	74%	0.737	S	S	*	*			trans	-161.8	57.6	-176.9	0	0	0	0	0	114.1	I733	G731-I733 PolarHBondContact O-N 3.09Å
732	S	28.3	Very low	31.2	Very low	126 Å²	126	146.8 Å²	146.8	88%	0.881	75%	0.751	S	S	*	*			trans	-66.1	97.2	173.9	54.3	0	0	0	0	111.4
733	I	30.4	Very low	30.6	Very low	152 Å²	152	146.1 Å²	146.1	78%	0.779	75%	0.753	S	S	*	*			trans	-118.6	96.5	169.3	-60.4	-179.7	0	0	0	108.8	G731	G731-I733 PolarHBondContact O-N 3.09Å
734	S	28.8	Very low	29.8	Very low	112 Å²	112	151.3 Å²	151.3	78%	0.783	77%	0.771	S	S	*	*			trans	-71.5	121.6	163.6	56.6	0	0	0	0	109.2
735	D	30.8	Very low	29.4	Very low	135 Å²	135	154.7 Å²	154.7	72%	0.722	79%	0.786	S	S	*	*			trans	-137.4	125	167.1	-151.1	-4.8	0	0	0	113.1	R737	D735-R737 PolarHBondContact O-N 3.48Å
736	K	28.5	Very low	28.9	Very low	192 Å²	192	159.7 Å²	159.7	84%	0.835	80%	0.8	S	S	*	*			trans	-91.9	83.3	-160.6	-66.8	176.3	180	171.8	0	111.3	K738	K736-K738 PolarHBondContact O-N 3.44Å
737	R	26.6	Very low	28.3	Very low	232 Å²	232	159.9 Å²	159.9	88%	0.875	81%	0.809	S	S	*	*			trans	-79.8	101.8	171.2	-67.1	-171.7	-179.4	-177	1.1	111.2	D735	D735-R737 PolarHBondContact O-N 3.48Å
738	K	28.8	Very low	27.7	Very low	194 Å²	194	161.7 Å²	161.7	84%	0.843	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-60	140.4	170.9	-73.6	-179.6	176.2	177.6	0	110.4	K736	K736-K738 PolarHBondContact O-N 3.44Å
739	P	26.4	Very low	27.3	Very low	125 Å²	125	158.4 Å²	158.4	81%	0.812	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-75.3	140.9	-177.7	29.1	-32.1	0	0	0	111.7	S741	P739-S741 PolarHBondContact O-N 3.39Å
740	L	23.8	Very low	27	Very low	171 Å²	171	160.8 Å²	160.8	90%	0.895	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-67.1	128.9	174.2	-83.7	89.2	0	0	0	110.9	I742	L740-I742 PolarHBondContact O-N 2.93Å
741	S	23.6	Very low	26.9	Very low	114 Å²	114	155 Å²	155	80%	0.797	81%	0.814	S	S	*	*			trans	-74.2	112.7	177.3	50.4	0	0	0	0	111.7	P739	P739-S741 PolarHBondContact O-N 3.39Å
742	I	23.2	Very low	26.8	Very low	151 Å²	151	159.4 Å²	159.4	77%	0.774	82%	0.822	S	S	*	*			trans	-73.4	129.4	176	-58.9	170.6	0	0	0	109.6	L740 K744	L740-I742 PolarHBondContact O-N 2.93Å; I742-K744 PolarHBondContact O-N 3.37Å
743	P	23.1	Very low	26.9	Very low	105 Å²	105	162.4 Å²	162.4	68%	0.682	82%	0.822	S	S	*	*			trans	-67.3	131.6	178.6	-16.5	29.4	0	0	0	111.8	Y745	P743-Y745 PolarHBondContact O-N 2.93Å
744	K	26.3	Very low	26.8	Very low	209 Å²	209	161.1 Å²	161.1	91%	0.909	82%	0.822	S	S	*	*			trans	-68.1	112.3	176.2	-66.4	179	179.1	178.5	0	110.1	I742 K746	I742-K744 PolarHBondContact O-N 3.37Å; K744-K746 PolarHBondContact O-N 3.39Å
745	Y	24	Very low	27	Very low	224 Å²	224	162.1 Å²	162.1	88%	0.878	82%	0.824	S	S	*	*			trans	-61.6	133.5	172.1	-87.2	-99.3	0	0	0	110.6	P743	P743-Y745 PolarHBondContact O-N 2.93Å
746	K	26.6	Very low	27	Very low	189 Å²	189	163.1 Å²	163.1	82%	0.822	83%	0.827	S	S	*	*			trans	-68	138.9	176.9	-75.9	-178.2	174.4	179.4	0	110.6	K744 F748	K744-K746 PolarHBondContact O-N 3.39Å; K746-F748 PolarHBondContact O-N 2.95Å; K746-F748 VanDerWaalsContact O-N 3.15Å
747	N	27.3	Very low	27.1	Very low	168 Å²	168	160.8 Å²	160.8	90%	0.898	82%	0.824	S	S	*	*			trans	-54.7	114.6	173.7	-71.3	-27.9	0	0	0	111.2
748	F	27.7	Very low	27.7	Very low	203 Å²	203	155.2 Å²	155.2	89%	0.89	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-90.3	138.8	155	-80.3	-86.6	0	0	0	108.6	K746	K746-F748 PolarHBondContact O-N 2.95Å; K746-F748 VanDerWaalsContact O-N 3.15Å
749	G	27.1	Very low	27.8	Very low	69 Å²	69	154.8 Å²	154.8	71%	0.711	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-60.8	151.6	-169.9	0	0	0	0	0	114	P751	G749-P751 WeakPolarHBondContact O-CD 3.18Å
750	K	26	Very low	28.1	Very low	202 Å²	202	157.3 Å²	157.3	88%	0.878	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-53	124.4	178.9	-68.7	-178.9	174.7	-175.9	0	110.9
751	P	26.9	Very low	28.5	Very low	120 Å²	120	157.4 Å²	157.4	78%	0.779	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-67.3	138.2	167.9	-14.8	29.4	0	0	0	109.8	G749	G749-P751 WeakPolarHBondContact O-CD 3.18Å
752	N	29.5	Very low	29	Very low	154 Å²	154	158.5 Å²	158.5	82%	0.824	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-59.7	137.2	-178.4	-71.9	-25.4	0	0	0	112.2	T754	N752-T754 PolarHBondContact O-N 2.94Å
753	E	28.9	Very low	29.4	Very low	189 Å²	189	156 Å²	156	88%	0.883	81%	0.806	S	S	*	*			trans	-68.8	89.9	-177.6	-64.8	173.7	160.2	0	0	111.5	T755	E753-T755 PolarHBondContact O-N 3.46Å
754	T	29.4	Very low	29.9	Very low	126 Å²	126	154.8 Å²	154.8	77%	0.773	80%	0.798	S	S	*	*			trans	-79.9	95.8	164.2	39.2	0	0	0	0	109.5	N752 I756	N752-T754 PolarHBondContact O-N 2.94Å; T754-I756 PolarHBondContact O-N 3.45Å
755	T	31.5	Very low	30.5	Very low	133 Å²	133	150.9 Å²	150.9	82%	0.816	79%	0.786	S	S	*	*			trans	-56.1	105	177.9	47.6	0	0	0	0	111.9	E753 N757	E753-T755 PolarHBondContact O-N 3.46Å; T755-N757 PolarHBondContact O-N 3.22Å
756	I	31.9	Very low	31	Very low	156 Å²	156	144.8 Å²	144.8	80%	0.8	77%	0.772	S	S	*	*			trans	-70.6	108.5	175.8	-59.8	173.4	0	0	0	108.5	T754 P758	T754-I756 PolarHBondContact O-N 3.45Å; I756-P758 VanDerWaalsContact O-CD 3.25Å; I756-P758 WeakPolarHBondContact O-CD 3.03Å
757	N	30	Very low	31.4	Very low	143 Å²	143	141.2 Å²	141.2	77%	0.765	76%	0.758	S	S	*	*			trans	-72.2	111.8	-178.6	-170.4	-5.9	0	0	0	111.1	T755 K759	T755-N757 PolarHBondContact O-N 3.22Å; N757-K759 PolarHBondContact O-N 2.95Å
758	P	39.6	Very low	32.1	Very low	114 Å²	114	137.8 Å²	137.8	74%	0.74	74%	0.744	S	S	*	*			trans	-96.3	65.2	-164.2	38.2	-33.8	0	0	0	112.6	I756	I756-P758 VanDerWaalsContact O-CD 3.25Å; I756-P758 WeakPolarHBondContact O-CD 3.03Å
759	K	30.5	Very low	32.6	Very low	186 Å²	186	134.7 Å²	134.7	81%	0.809	73%	0.73	S	S	*	*			trans	-134.2	102.6	159.4	-79.8	-170.3	177.4	175.7	0	110.6	N757 Q761	N757-K759 PolarHBondContact O-N 2.95Å; K759-Q761 PolarHBondContact O-N 3.14Å
760	L	33	Very low	33	Very low	178 Å²	178	138.4 Å²	138.4	93%	0.932	73%	0.733	S	S	*	*			trans	-61.9	92.9	168.7	-81.7	150	0	0	0	109.7	V762	L760-V762 PolarHBondContact O-N 3.21Å
761	Q	32.4	Very low	33.2	Very low	173 Å²	173	136.5 Å²	136.5	81%	0.808	73%	0.725	S	S	*	*			trans	-71.9	111.8	165.4	-83.9	-172.9	-27.4	0	0	109.1	K759 I763	K759-Q761 PolarHBondContact O-N 3.14Å; Q761-I763 PolarHBondContact O-N 3.01Å
762	V	35.1	Very low	33.7	Very low	137 Å²	137	136.1 Å²	136.1	83%	0.83	71%	0.711	S	S	*	*			trans	-74	92.8	171	-179.4	0	0	0	0	107.7	L760 P764	L760-V762 PolarHBondContact O-N 3.21Å; V762-P764 WeakPolarHBondContact O-CD 3.46Å
763	I	30.5	Very low	33.9	Very low	99 Å²	99	138 Å²	138	51%	0.508	71%	0.708	S	S	.	*			trans	-76.2	122.3	176.6	-60.4	174.4	0	0	0	108.5	Q761 E767	Q761-I763 PolarHBondContact O-N 3.01Å; I763-E767 HydrophobicContact CG2-CB 3.87Å
764	P	33.5	Very low	34.2	Very low	78 Å²	78	136.5 Å²	136.5	51%	0.506	70%	0.699	S	S	.	*			trans	-59.7	138	174	-23	34.7	0	0	0	111.1	V762 T766 E767	V762-P764 WeakPolarHBondContact O-CD 3.46Å; P764-T766 PolarHBondContact O-N 3.13Å; P764-E767 PolarHBondContact O-N 3.41Å
765	I	38.5	Very low	34.3	Very low	127 Å²	127	137 Å²	137	65%	0.651	69%	0.693	S	S	*	*	H	α-helix	trans	-59	-21.6	-169.5	-152.7	169.3	0	0	0	113.8	V768 F769	I765-V768 WeakPolarHBondContact O-CB 3.35Å; I765-V768 PolarHBondContact O-N 3.28Å; I765-F769 HydrophobicContact CG1-CE2 4.23Å; I765-F769 VanDerWaalsContact O-CD2 3.23Å; I765-F769 WeakPolarHBondContact O-CD2 3.38Å
766	T	35.7	Very low	34.3	Very low	97 Å²	97	136.9 Å²	136.9	60%	0.595	69%	0.687	S	S	*	*	H	α-helix	trans	-64.5	-33.8	176.1	44.9	0	0	0	0	113.7	P764 V768 F769	P764-T766 PolarHBondContact O-N 3.13Å; T766-V768 VanDerWaalsContact C-N 3.32Å; T766-V768 PolarHBondContact O-N 2.7Å; T766-F769 PolarHBondContact O-N 2.62Å
767	E	34.8	Very low	34.2	Very low	113 Å²	113	137 Å²	137	53%	0.528	68%	0.682	S	S	.	*	H	α-helix	trans	-71.4	-28.9	176.9	-70.8	-161.2	146.1	0	0	112.6	I763 P764 F769 N770	I763-E767 HydrophobicContact CG2-CB 3.87Å; P764-E767 PolarHBondContact O-N 3.41Å; E767-F769 PolarHBondContact O-N 2.91Å; E767-N770 PolarHBondContact O-N 2.8Å
768	V	42.7	Very low	34.2	Very low	97 Å²	97	133.7 Å²	133.7	59%	0.588	67%	0.668	S	S	*	*	H	α-helix	trans	-61.8	-31	176.8	-175.4	0	0	0	0	111.2	I765 T766	I765-V768 WeakPolarHBondContact O-CB 3.35Å; I765-V768 PolarHBondContact O-N 3.28Å; T766-V768 VanDerWaalsContact C-N 3.32Å; T766-V768 PolarHBondContact O-N 2.7Å
769	F	36.9	Very low	33.7	Very low	138 Å²	138	139.2 Å²	139.2	61%	0.605	68%	0.676	S	S	*	*	H	α-helix	trans	-83.8	-22	179.5	-71.5	-73.1	0	0	0	114.5	I765 T766 E767	I765-F769 HydrophobicContact CG1-CE2 4.23Å; I765-F769 VanDerWaalsContact O-CD2 3.23Å; I765-F769 WeakPolarHBondContact O-CD2 3.38Å; T766-F769 PolarHBondContact O-N 2.62Å; E767-F769 PolarHBondContact O-N 2.91Å
770	N	36.8	Very low	33.7	Very low	146 Å²	146	136.2 Å²	136.2	78%	0.781	68%	0.678	S	S	*	*	H	α-helix	trans	-91.2	-16.3	-175.4	-89.4	-11.3	0	0	0	114.9	E767 K772	E767-N770 PolarHBondContact O-N 2.8Å; N770-K772 PolarHBondContact O-N 2.83Å
771	K	29.1	Very low	33.7	Very low	162 Å²	162	134.1 Å²	134.1	70%	0.704	67%	0.665	S	S	*	*	S	Bend	trans	-80.9	88.1	178.5	-78.7	-168.2	175.9	-178.6	0	112.9	Y773	K771-Y773 VanDerWaalsContact O-CD2 3.27Å; K771-Y773 WeakPolarHBondContact O-CD2 3.43Å; K771-Y773 PolarHBondContact O-N 2.85Å
772	K	36.7	Very low	33.8	Very low	112 Å²	112	132.1 Å²	132.1	49%	0.487	66%	0.658	S	S	.	*	S	Bend	trans	52.8	-15.1	152.6	-92.6	-175.9	168	-175.5	0	121.7	N653 N770 F774 Q775	N653-K772 PolarHBondContact O-NZ 3.44Å; N770-K772 PolarHBondContact O-N 2.83Å; K772-F774 PolarHBondContact O-N 3.19Å; K772-Q775 PolarHBondContact O-N 3.05Å
773	Y	34.9	Very low	33.7	Very low	194 Å²	194	131.8 Å²	131.8	76%	0.761	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	-1.4	-172.9	-80.7	-68.7	0	0	0	116.4	K771	K771-Y773 VanDerWaalsContact O-CD2 3.27Å; K771-Y773 WeakPolarHBondContact O-CD2 3.43Å; K771-Y773 PolarHBondContact O-N 2.85Å
774	F	34.2	Very low	33.9	Very low	157 Å²	157	133.7 Å²	133.7	69%	0.689	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.2	6	-176	-68	-73.9	0	0	0	115	K772	K772-F774 PolarHBondContact O-N 3.19Å
775	Q	33	Very low	33.9	Very low	138 Å²	138	137.2 Å²	137.2	65%	0.645	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-19.6	180	-79.1	-172.5	-29.3	0	0	114.8	K772 F777	K772-Q775 PolarHBondContact O-N 3.05Å; Q775-F777 PolarHBondContact O-N 3.42Å
776	D	30.6	Very low	33.6	Very low	129 Å²	129	137.9 Å²	137.9	69%	0.69	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	18.2	-174.1	-63.9	-38.8	0	0	0	114.9	P778	D776-P778 WeakPolarHBondContact O-CD 3.49Å
777	F	30.4	Very low	33.5	Very low	160 Å²	160	140.8 Å²	140.8	70%	0.702	67%	0.672	S	S	*	*			trans	-102.5	90.1	169.4	-82.9	-83.4	0	0	0	110.9	Q775 Y779	Q775-F777 PolarHBondContact O-N 3.42Å; F777-Y779 PolarHBondContact O-N 3.13Å
778	P	30.5	Very low	33.4	Very low	72 Å²	72	142.9 Å²	142.9	47%	0.468	68%	0.683	S	S	.	*			trans	-68.3	106.3	170.2	28.8	-33	0	0	0	108.7	D776 S780	D776-P778 WeakPolarHBondContact O-CD 3.49Å; P778-S780 PolarHBondContact O-N 3.49Å
779	Y	29	Very low	32.6	Very low	230 Å²	230	146.8 Å²	146.8	90%	0.902	69%	0.691	S	S	*	*			trans	-59.5	119.2	165.8	-78.7	-95	0	0	0	109	F777	F777-Y779 PolarHBondContact O-N 3.13Å
780	S	28.9	Very low	32.2	Very low	123 Å²	123	147.5 Å²	147.5	86%	0.86	70%	0.699	S	S	*	*			trans	-123	0	164.4	65.2	0	0	0	0	108.9	P778	P778-S780 PolarHBondContact O-N 3.49Å

Retrieved 780 of 780 residues in 245.9 ms (Link to these results)

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