A0A077ZME1_TRITR Loading...

GDP-fucose protein O-fucosyltransferase 2

AlphaFold DB , UniProt , Accession A0A077ZME1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 285 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	53.7	Low	57.7	Low	221 Å²	221	131.3 Å²	131.3	100%	1.089	66%	0.664	S	S	*	*				0	-5.9	0	-105.7	173.8	-87.4	0	0	115.1
2	V	52.7	Low	58.5	Low	128 Å²	128	126.4 Å²	126.4	78%	0.776	65%	0.646	S	S	*	*	H	α-helix	trans	-84	-22	-175.2	-177.7	0	0	0	0	114.2
3	S	58.1	Low	59.7	Low	90 Å²	90	128 Å²	128	63%	0.629	65%	0.646	S	S	*	*	H	α-helix	trans	-79.5	-22.7	-175	138.5	0	0	0	0	114.7
4	L	54.3	Low	60.6	Low	121 Å²	121	122.4 Å²	122.4	63%	0.634	63%	0.629	S	S	*	*	H	α-helix	trans	-81.2	-36.3	-178.6	-153.7	73.3	0	0	0	112.4	W6 K7 I8	L4-W6 VanDerWaalsContact C-N 3.33Å; L4-W6 PolarHBondContact O-N 2.84Å; L4-K7 PolarHBondContact O-N 2.85Å; L4-I8 HydrophobicContact CG-CD1 4.27Å; L4-I8 WeakPolarHBondContact O-CD1 3.42Å; L4-I8 WeakPolarHBondContact O-CG1 3.38Å; L4-I8 PolarHBondContact O-N 3.15Å
5	H	53.6	Low	61.4	Low	146 Å²	146	121.1 Å²	121.1	68%	0.676	62%	0.622	S	S	*	*	H	α-helix	trans	-64.7	-34.5	178	-91.7	-87.2	0	0	0	113.1	S9	H5-S9 WeakPolarHBondContact O-CB 3.25Å; H5-S9 PolarHBondContact O-N 3.5Å; H5-S9 VanDerWaalsContact O-N 3.09Å
6	W	52.9	Low	62.1	Low	194 Å²	194	119.9 Å²	119.9	74%	0.735	62%	0.617	S	S	*	*	H	α-helix	trans	-71.3	-39	179.7	-160.4	-69.6	0	0	0	112.3	L4 S9 L10	L4-W6 VanDerWaalsContact C-N 3.33Å; L4-W6 PolarHBondContact O-N 2.84Å; W6-S9 PolarHBondContact O-N 3.11Å; W6-L10 HydrophobicContact CG-CD1 4.49Å; W6-L10 PolarHBondContact O-N 2.92Å
7	K	54.7	Low	62.8	Low	139 Å²	139	116.6 Å²	116.6	60%	0.604	60%	0.604	S	S	*	*	H	α-helix	trans	-68.3	-37.9	177	-73.6	-173.4	175.6	-173.5	0	112.4	L4 L10 H11	L4-K7 PolarHBondContact O-N 2.85Å; K7-L10 PolarHBondContact O-N 3.3Å; K7-H11 PolarHBondContact O-CD2 3.05Å; K7-H11 VanDerWaalsContact O-CD2 3.24Å; K7-H11 PolarHBondContact O-N 3.29Å; K7-H11 VanDerWaalsContact O-N 3.16Å
8	I	59.7	Low	63.4	Low	96 Å²	96	115.2 Å²	115.2	49%	0.492	60%	0.6	S	S	.	*	H	α-helix	trans	-66.1	-41.1	175.6	-65	165.6	0	0	0	110.3	L4 H11 T12	L4-I8 HydrophobicContact CG-CD1 4.27Å; L4-I8 WeakPolarHBondContact O-CD1 3.42Å; L4-I8 WeakPolarHBondContact O-CG1 3.38Å; L4-I8 PolarHBondContact O-N 3.15Å; I8-H11 PolarHBondContact O-N 3.42Å; I8-T12 PolarHBondContact O-N 2.92Å; I8-T12 PolarHBondContact O-OG1 3.2Å; I8-T12 VanDerWaalsContact O-OG1 3.09Å
9	S	64.7	Low	63.6	Low	75 Å²	75	114.5 Å²	114.5	52%	0.524	60%	0.596	S	S	.	*	H	α-helix	trans	-64.7	-37.6	177.8	-167.7	0	0	0	0	113.4	H5 W6 T12 F13	H5-S9 WeakPolarHBondContact O-CB 3.25Å; H5-S9 PolarHBondContact O-N 3.5Å; H5-S9 VanDerWaalsContact O-N 3.09Å; W6-S9 PolarHBondContact O-N 3.11Å; S9-T12 WeakPolarHBondContact CA-OG1 3.34Å; S9-T12 PolarHBondContact O-OG1 3.46Å; S9-F13 WeakPolarHBondContact O-CB 3.47Å; S9-F13 PolarHBondContact O-N 2.92Å; S9-F13 VanDerWaalsContact O-N 3.09Å
10	L	63.8	Low	63.7	Low	103 Å²	103	113.8 Å²	113.8	54%	0.539	59%	0.593	S	S	.	*	H	α-helix	trans	-70.1	-37.8	175	-104.8	105.7	0	0	0	112.7	W6 K7 F13 A14	W6-L10 HydrophobicContact CG-CD1 4.49Å; W6-L10 PolarHBondContact O-N 2.92Å; K7-L10 PolarHBondContact O-N 3.3Å; L10-F13 PolarHBondContact O-N 3.16Å; L10-A14 WeakPolarHBondContact O-CB 3.3Å; L10-A14 PolarHBondContact O-N 3.48Å
11	H	66	Low	63.7	Low	131 Å²	131	117.2 Å²	117.2	61%	0.606	60%	0.599	S	S	*	*	H	α-helix	trans	-69.2	-39	177.7	-76.6	-46.3	0	0	0	112.3	K7 I8 A14 I15	K7-H11 PolarHBondContact O-CD2 3.05Å; K7-H11 VanDerWaalsContact O-CD2 3.24Å; K7-H11 PolarHBondContact O-N 3.29Å; K7-H11 VanDerWaalsContact O-N 3.16Å; I8-H11 PolarHBondContact O-N 3.42Å; H11-A14 PolarHBondContact O-N 2.72Å; H11-I15 WeakPolarHBondContact O-CD1 3.2Å; H11-I15 VanDerWaalsContact O-CG1 3.27Å; H11-I15 WeakPolarHBondContact O-CG1 3.42Å; H11-I15 PolarHBondContact O-N 2.83Å
12	T	68.4	Low	63.9	Low	73 Å²	73	110 Å²	110	45%	0.448	57%	0.571	S	S	.	*	H	α-helix	trans	-66.9	-37.5	174.6	49.8	0	0	0	0	112.1	I8 S9 I15 L16	I8-T12 PolarHBondContact O-N 2.92Å; I8-T12 PolarHBondContact O-OG1 3.2Å; I8-T12 VanDerWaalsContact O-OG1 3.09Å; S9-T12 WeakPolarHBondContact CA-OG1 3.34Å; S9-T12 PolarHBondContact O-OG1 3.46Å; T12-I15 PolarHBondContact O-N 3.26Å; T12-L16 PolarHBondContact O-N 3.36Å; T12-L16 VanDerWaalsContact O-N 3.08Å
13	F	72.9	Confident	64.1	Low	147 Å²	147	107.4 Å²	107.4	65%	0.645	56%	0.558	S	S	*	*	H	α-helix	trans	-65.6	-43.3	174.3	-170.9	-99.4	0	0	0	112.3	S9 L10 I15 L16 V17	S9-F13 WeakPolarHBondContact O-CB 3.47Å; S9-F13 PolarHBondContact O-N 2.92Å; S9-F13 VanDerWaalsContact O-N 3.09Å; L10-F13 PolarHBondContact O-N 3.16Å; F13-I15 PolarHBondContact O-N 3.2Å; F13-L16 PolarHBondContact O-N 2.78Å; F13-V17 HydrophobicContact CD1-CG2 4.15Å; F13-V17 HydrophobicContact CE1-CG2 3.81Å; F13-V17 HydrophobicContact CZ-CG2 4.12Å; F13-V17 WeakPolarHBondContact O-CG2 3.35Å; F13-V17 PolarHBondContact O-N 2.8Å
14	A	72.3	Confident	63.8	Low	50 Å²	50	109.3 Å²	109.3	41%	0.413	56%	0.56	S	S	.	*	H	α-helix	trans	-62.8	-40.2	177.4	0	0	0	0	0	112.4	L10 H11 V17 V18	L10-A14 WeakPolarHBondContact O-CB 3.3Å; L10-A14 PolarHBondContact O-N 3.48Å; H11-A14 PolarHBondContact O-N 2.72Å; A14-V17 PolarHBondContact O-N 3.22Å; A14-V18 WeakPolarHBondContact O-CG2 3.34Å; A14-V18 PolarHBondContact O-N 2.53Å
15	I	73.5	Confident	63.7	Low	102 Å²	102	108.2 Å²	108.2	52%	0.523	56%	0.563	S	S	.	*	H	α-helix	trans	-65.7	-41.5	176.6	-68.4	166.2	0	0	0	111	H11 T12 F13 V17 V18 I19	H11-I15 WeakPolarHBondContact O-CD1 3.2Å; H11-I15 VanDerWaalsContact O-CG1 3.27Å; H11-I15 WeakPolarHBondContact O-CG1 3.42Å; H11-I15 PolarHBondContact O-N 2.83Å; T12-I15 PolarHBondContact O-N 3.26Å; F13-I15 PolarHBondContact O-N 3.2Å; I15-V17 PolarHBondContact O-N 3.4Å; I15-V18 PolarHBondContact O-N 3.45Å; I15-I19 HydrophobicContact CG2-CD1 3.73Å; I15-I19 HydrophobicContact CG2-CG1 4.41Å; I15-I19 VanDerWaalsContact O-CG1 3.3Å; I15-I19 WeakPolarHBondContact O-CG1 3.43Å; I15-I19 PolarHBondContact O-N 3.04Å
16	L	72.3	Confident	63.3	Low	103 Å²	103	111.2 Å²	111.2	54%	0.539	57%	0.57	S	S	.	*	H	α-helix	trans	-62.2	-41.1	175.7	-86.6	162.1	0	0	0	112.4	T12 F13 I19 L20	T12-L16 PolarHBondContact O-N 3.36Å; T12-L16 VanDerWaalsContact O-N 3.08Å; F13-L16 PolarHBondContact O-N 2.78Å; L16-I19 PolarHBondContact O-N 2.86Å; L16-L20 WeakPolarHBondContact O-CB 3.44Å; L16-L20 PolarHBondContact O-N 2.8Å
17	V	74.4	Confident	62.9	Low	64 Å²	64	105.9 Å²	105.9	39%	0.388	57%	0.567	S	S	.	*	H	α-helix	trans	-65.6	-40.2	176.7	173.1	0	0	0	0	111.3	F13 A14 I15 L20 Y21	F13-V17 HydrophobicContact CD1-CG2 4.15Å; F13-V17 HydrophobicContact CE1-CG2 3.81Å; F13-V17 HydrophobicContact CZ-CG2 4.12Å; F13-V17 WeakPolarHBondContact O-CG2 3.35Å; F13-V17 PolarHBondContact O-N 2.8Å; A14-V17 PolarHBondContact O-N 3.22Å; I15-V17 PolarHBondContact O-N 3.4Å; V17-L20 PolarHBondContact O-N 3.43Å; V17-Y21 WeakPolarHBondContact O-CB 3.33Å; V17-Y21 PolarHBondContact O-N 3.13Å
18	V	72.7	Confident	62.2	Low	90 Å²	90	106.8 Å²	106.8	55%	0.545	58%	0.578	S	S	.	*	H	α-helix	trans	-65.1	-44.2	176.3	172.1	0	0	0	0	111.2	A14 I15 L20 Y21 S22	A14-V18 WeakPolarHBondContact O-CG2 3.34Å; A14-V18 PolarHBondContact O-N 2.53Å; I15-V18 PolarHBondContact O-N 3.45Å; V18-L20 VanDerWaalsContact C-N 3.34Å; V18-L20 PolarHBondContact O-N 2.95Å; V18-Y21 PolarHBondContact O-N 3.48Å; V18-S22 PolarHBondContact O-N 3.13Å; V18-S22 PolarHBondContact O-OG 3.25Å
19	I	68.5	Low	61.3	Low	102 Å²	102	110.1 Å²	110.1	52%	0.523	59%	0.592	S	S	.	*	H	α-helix	trans	-64.3	-39	177.8	-66.8	168.1	0	0	0	111.3	I15 L16 S22 S23	I15-I19 HydrophobicContact CG2-CD1 3.73Å; I15-I19 HydrophobicContact CG2-CG1 4.41Å; I15-I19 VanDerWaalsContact O-CG1 3.3Å; I15-I19 WeakPolarHBondContact O-CG1 3.43Å; I15-I19 PolarHBondContact O-N 3.04Å; L16-I19 PolarHBondContact O-N 2.86Å; I19-S22 PolarHBondContact O-N 3.01Å; I19-S23 WeakPolarHBondContact O-CB 3.22Å; I19-S23 PolarHBondContact O-N 2.64Å; I19-S23 PolarHBondContact O-OG 2.82Å
20	L	64.1	Low	60.1	Low	100 Å²	100	111.8 Å²	111.8	52%	0.524	60%	0.601	S	S	.	*	H	α-helix	trans	-63.2	-42.7	172.5	-99.1	144.4	0	0	0	111.6	L16 V17 V18 S23 L24	L16-L20 WeakPolarHBondContact O-CB 3.44Å; L16-L20 PolarHBondContact O-N 2.8Å; V17-L20 PolarHBondContact O-N 3.43Å; V18-L20 VanDerWaalsContact C-N 3.34Å; V18-L20 PolarHBondContact O-N 2.95Å; L20-S23 WeakPolarHBondContact CA-OG 3.44Å; L20-S23 PolarHBondContact O-N 3.17Å; L20-S23 PolarHBondContact O-OG 3.25Å; L20-L24 HydrophobicContact CD2-CD1 4.21Å; L20-L24 WeakPolarHBondContact O-CB 3.4Å; L20-L24 WeakPolarHBondContact O-CD1 3.37Å; L20-L24 PolarHBondContact O-N 2.87Å
21	Y	64	Low	58.7	Low	186 Å²	186	113.5 Å²	113.5	73%	0.729	62%	0.616	S	S	*	*	H	α-helix	trans	-66.6	-37.9	176.4	-124.1	-89.9	0	0	0	112.6	V17 V18 S25	V17-Y21 WeakPolarHBondContact O-CB 3.33Å; V17-Y21 PolarHBondContact O-N 3.13Å; V18-Y21 PolarHBondContact O-N 3.48Å; Y21-S25 WeakPolarHBondContact O-CB 3.45Å; Y21-S25 PolarHBondContact O-N 2.93Å
22	S	57.7	Low	57.3	Low	70 Å²	70	114 Å²	114	49%	0.49	62%	0.622	S	S	.	*	H	α-helix	trans	-67.3	-35.9	176.1	-50.3	0	0	0	0	112.4	V18 I19 Y26	V18-S22 PolarHBondContact O-N 3.13Å; V18-S22 PolarHBondContact O-OG 3.25Å; I19-S22 PolarHBondContact O-N 3.01Å; S22-Y26 PolarHBondContact O-N 2.84Å
23	S	57.9	Low	56.1	Low	73 Å²	73	114.2 Å²	114.2	51%	0.51	63%	0.631	S	S	.	*	H	α-helix	trans	-78.1	-31.4	178.3	47.7	0	0	0	0	113	I19 L20	I19-S23 WeakPolarHBondContact O-CB 3.22Å; I19-S23 PolarHBondContact O-N 2.64Å; I19-S23 PolarHBondContact O-OG 2.82Å; L20-S23 WeakPolarHBondContact CA-OG 3.44Å; L20-S23 PolarHBondContact O-N 3.17Å; L20-S23 PolarHBondContact O-OG 3.25Å
24	L	52.5	Low	54.8	Low	130 Å²	130	113.9 Å²	113.9	68%	0.681	64%	0.64	S	S	*	*	H	α-helix	trans	-72.9	-28.1	171.2	-91.8	132.8	0	0	0	113.2	L20 Y26	L20-L24 HydrophobicContact CD2-CD1 4.21Å; L20-L24 WeakPolarHBondContact O-CB 3.4Å; L20-L24 WeakPolarHBondContact O-CD1 3.37Å; L20-L24 PolarHBondContact O-N 2.87Å; L24-Y26 VanDerWaalsContact C-N 3.34Å
25	S	51.7	Low	53.5	Low	99 Å²	99	116 Å²	116	69%	0.692	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-8.4	176.9	-169.1	0	0	0	0	114.1	Y21	Y21-S25 WeakPolarHBondContact O-CB 3.45Å; Y21-S25 PolarHBondContact O-N 2.93Å
26	Y	44.4	Very low	52.1	Low	209 Å²	209	115.3 Å²	115.3	82%	0.82	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.1	12.1	-179.1	-138.2	-94.2	0	0	0	113.6	S22 L24 D28	S22-Y26 PolarHBondContact O-N 2.84Å; L24-Y26 VanDerWaalsContact C-N 3.34Å; Y26-D28 PolarHBondContact O-N 3.42Å
27	A	45.8	Very low	50.8	Low	81 Å²	81	113.9 Å²	113.9	67%	0.669	65%	0.648	S	S	*	*			trans	-86.8	65.8	167.8	0	0	0	0	0	109.4	E29	A27-E29 PolarHBondContact O-N 2.96Å
28	D	38.7	Very low	49.3	Very low	158 Å²	158	118.6 Å²	118.6	85%	0.845	67%	0.666	S	S	*	*			trans	-64.1	115.3	159.5	-105.3	-21.4	0	0	0	106.4	Y26	Y26-D28 PolarHBondContact O-N 3.42Å
29	E	41	Very low	47.8	Very low	167 Å²	167	122.4 Å²	122.4	78%	0.78	68%	0.675	S	S	*	*			trans	-51.1	134.7	168.7	-79.7	-167.5	152.1	0	0	108.3	A27 T31	A27-E29 PolarHBondContact O-N 2.96Å; E29-T31 PolarHBondContact O-N 3.36Å
30	P	39.2	Very low	46.6	Very low	110 Å²	110	125.5 Å²	125.5	71%	0.714	69%	0.685	S	S	*	*			trans	-60.6	109.2	171	26.1	-30.1	0	0	0	106.1	I32	P30-I32 PolarHBondContact O-N 3.33Å
31	T	34.9	Very low	45.3	Very low	139 Å²	139	124.5 Å²	124.5	85%	0.853	69%	0.687	S	S	*	*			trans	-64.1	86.4	167.2	32.2	0	0	0	0	106.2	E29 A33	E29-T31 PolarHBondContact O-N 3.36Å; T31-A33 PolarHBondContact O-N 3.23Å
32	I	36.8	Very low	44.4	Very low	142 Å²	142	122.1 Å²	122.1	73%	0.728	69%	0.686	S	S	*	*			trans	-64.7	93.7	165.9	-61.2	176.2	0	0	0	103.8	P30 V34	P30-I32 PolarHBondContact O-N 3.33Å; I32-V34 PolarHBondContact O-N 2.98Å
33	A	42.1	Very low	43.9	Very low	77 Å²	77	122.7 Å²	122.7	64%	0.636	70%	0.695	S	S	*	*			trans	-53.3	109.9	166.5	0	0	0	0	0	105.7	T31 V35	T31-A33 PolarHBondContact O-N 3.23Å; A33-V35 WeakPolarHBondContact O-CG2 3.27Å; A33-V35 PolarHBondContact O-N 2.83Å
34	V	47.1	Very low	43.9	Very low	139 Å²	139	124.3 Å²	124.3	84%	0.842	69%	0.693	S	S	*	*			trans	-63.7	93.6	173.5	177.5	0	0	0	0	105.4	I32 D36	I32-V34 PolarHBondContact O-N 2.98Å; V34-D36 PolarHBondContact O-N 3.4Å
35	V	44.3	Very low	45	Very low	95 Å²	95	120.3 Å²	120.3	58%	0.576	67%	0.671	S	S	*	*			trans	-67.3	108.7	174.7	-177.6	0	0	0	0	105.4	A33 A37 F40	A33-V35 WeakPolarHBondContact O-CG2 3.27Å; A33-V35 PolarHBondContact O-N 2.83Å; V35-A37 PolarHBondContact O-N 3.03Å; V35-F40 HydrophobicContact CG1-CD2 3.46Å; V35-F40 VanDerWaalsContact CG1-CD2 3.46Å; V35-F40 HydrophobicContact CG1-CE2 3.77Å; V35-F40 HydrophobicContact CG1-CG 4.29Å
36	D	43	Very low	46.6	Very low	87 Å²	87	123 Å²	123	47%	0.465	67%	0.666	S	S	.	*			trans	-54.4	104.2	172.2	178	-1.2	0	0	0	108.7	V34 E38 K39 F40	V34-D36 PolarHBondContact O-N 3.4Å; D36-E38 PolarHBondContact O-N 3.24Å; D36-E38 WeakPolarHBondContact OD1-CB 3.44Å; D36-E38 PolarHBondContact OD1-N 3.14Å; D36-K39 HydrophobicContact CB-CB 3.95Å; D36-K39 WeakPolarHBondContact O-CB 3.33Å; D36-K39 PolarHBondContact O-N 2.95Å; D36-K39 VanDerWaalsContact O-N 3.08Å; D36-K39 PolarHBondContact OD1-N 3.06Å; D36-F40 PolarHBondContact O-N 3.38Å
37	A	45	Very low	48.8	Very low	73 Å²	73	115 Å²	115	60%	0.603	63%	0.634	S	S	*	*	H	α-helix	trans	-62.8	-27.9	-177.8	0	0	0	0	0	110.8	V35 K39 F40 S41	V35-A37 PolarHBondContact O-N 3.03Å; A37-K39 VanDerWaalsContact C-N 3.35Å; A37-F40 PolarHBondContact O-N 2.82Å; A37-S41 WeakPolarHBondContact O-CA 3.41Å; A37-S41 WeakPolarHBondContact O-CB 3.29Å; A37-S41 PolarHBondContact O-N 3.5Å; A37-S41 PolarHBondContact O-OG 2.99Å
38	E	44.8	Very low	51.1	Low	164 Å²	164	112.3 Å²	112.3	77%	0.766	61%	0.607	S	S	*	*	H	α-helix	trans	-69.9	-35.2	175.4	-66.7	-145.8	157.4	0	0	111.7	D36 F40 S41	D36-E38 PolarHBondContact O-N 3.24Å; D36-E38 WeakPolarHBondContact OD1-CB 3.44Å; D36-E38 PolarHBondContact OD1-N 3.14Å; E38-F40 VanDerWaalsContact C-N 3.3Å; E38-F40 PolarHBondContact O-N 2.95Å; E38-S41 WeakPolarHBondContact CA-OG 3.41Å; E38-S41 PolarHBondContact O-N 3.4Å; E38-S41 PolarHBondContact O-OG 2.89Å
39	K	41.2	Very low	53.8	Low	169 Å²	169	104.8 Å²	104.8	74%	0.735	57%	0.566	S	S	*	*	H	α-helix	trans	-67.8	-28.5	177.8	-142.5	176.5	-170.8	176.4	0	113.3	D36 A37	D36-K39 HydrophobicContact CB-CB 3.95Å; D36-K39 WeakPolarHBondContact O-CB 3.33Å; D36-K39 PolarHBondContact O-N 2.95Å; D36-K39 VanDerWaalsContact O-N 3.08Å; D36-K39 PolarHBondContact OD1-N 3.06Å; A37-K39 VanDerWaalsContact C-N 3.35Å
40	F	42.2	Very low	56.4	Low	167 Å²	167	96.9 Å²	96.9	73%	0.732	53%	0.53	S	S	*	.	H	α-helix	trans	-97.8	-22	175.6	-91.4	-89.2	0	0	0	114.3	V35 D36 A37 E38 L42	V35-F40 HydrophobicContact CG1-CD2 3.46Å; V35-F40 VanDerWaalsContact CG1-CD2 3.46Å; V35-F40 HydrophobicContact CG1-CE2 3.77Å; V35-F40 HydrophobicContact CG1-CG 4.29Å; D36-F40 PolarHBondContact O-N 3.38Å; A37-F40 PolarHBondContact O-N 2.82Å; E38-F40 VanDerWaalsContact C-N 3.3Å; E38-F40 PolarHBondContact O-N 2.95Å; F40-L42 VanDerWaalsContact C-N 3.31Å; F40-L42 PolarHBondContact O-N 3.41Å
41	S	37	Very low	59.2	Low	80 Å²	80	91.9 Å²	91.9	56%	0.559	50%	0.496	S	S	*	.	H	α-helix	trans	-69.7	-17.2	-168.4	64.4	0	0	0	0	115.8	A37 E38	A37-S41 WeakPolarHBondContact O-CA 3.41Å; A37-S41 WeakPolarHBondContact O-CB 3.29Å; A37-S41 PolarHBondContact O-N 3.5Å; A37-S41 PolarHBondContact O-OG 2.99Å; E38-S41 WeakPolarHBondContact CA-OG 3.41Å; E38-S41 PolarHBondContact O-N 3.4Å; E38-S41 PolarHBondContact O-OG 2.89Å
42	L	45.3	Very low	62	Low	135 Å²	135	85.9 Å²	85.9	71%	0.707	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-150.2	22.9	-171.3	-95.5	166.8	0	0	0	115.3	F40 K44	F40-L42 VanDerWaalsContact C-N 3.31Å; F40-L42 PolarHBondContact O-N 3.41Å; L42-K44 PolarHBondContact O-N 3.22Å
43	A	47.8	Very low	64.7	Low	82 Å²	82	79.1 Å²	79.1	68%	0.678	42%	0.424	S	S	*	.			trans	-68.2	78.1	156.4	0	0	0	0	0	107	E45	A43-E45 PolarHBondContact O-N 2.86Å
44	K	56.2	Low	66.9	Low	108 Å²	108	77.5 Å²	77.5	47%	0.47	41%	0.405	S	S	.	.			trans	-42	114.8	173.7	-91.9	-175.4	175.1	-179.4	0	106.3	L42 R46 G80 N82	L42-K44 PolarHBondContact O-N 3.22Å; K44-R46 PolarHBondContact O-N 2.73Å; K44-R46 VanDerWaalsContact O-N 3.08Å; K44-G80 WeakPolarHBondContact CD-O 3.14Å; K44-G80 WeakPolarHBondContact CE-O 3.46Å; K44-G80 PolarHBondContact NZ-O 2.96Å; K44-N82 HydrophobicContact CB-CB 3.67Å; K44-N82 PolarHBondContact O-ND2 3.05Å
45	E	75.8	Confident	68.8	Low	46 Å²	46	74 Å²	74	22%	0.215	39%	0.385	C	S	.	.			trans	-47.7	120.9	-169.6	-165.6	-172.1	-163.3	0	0	108.8	A43 R47 I204 F205 T206	A43-E45 PolarHBondContact O-N 2.86Å; E45-R47 PolarHBondContact O-N 3.04Å; E45-I204 VanDerWaalsContact CD-C 3.41Å; E45-I204 VanDerWaalsContact OE1-C 3.3Å; E45-I204 WeakPolarHBondContact OE2-CA 3.4Å; E45-F205 WeakPolarHBondContact OE1-CA 3.22Å; E45-F205 PolarHBondContact OE1-N 3Å; E45-T206 WeakPolarHBondContact OE1-CA 3.36Å; E45-T206 PolarHBondContact OE1-N 3.33Å
46	R	86	Confident	70.9	Confident	154 Å²	154	71 Å²	71	58%	0.581	37%	0.374	S	S	*	.			trans	-65.8	129.1	-175.3	-69.1	178.3	-176.7	174.8	1.7	108.1	K44 Y48 I84	K44-R46 PolarHBondContact O-N 2.73Å; K44-R46 VanDerWaalsContact O-N 3.08Å; R46-Y48 HydrophobicContact CB-CE2 4.16Å; R46-I84 HydrophobicContact CB-CD1 4.32Å; R46-I84 HydrophobicContact CG-CD1 4.15Å
47	R	90.8	Very high	73.1	Confident	41 Å²	41	69.2 Å²	69.2	16%	0.155	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	148	174	-62.2	-179.2	-179.1	-160.1	-6.2	108.7	E45 N82 F83 I84 V200 S208	E45-R47 PolarHBondContact O-N 3.04Å; R47-N82 PolarHBondContact N-O 3.37Å; R47-F83 HydrophobicContact CB-CD1 3.78Å; R47-F83 HydrophobicContact CB-CD2 3.94Å; R47-F83 HydrophobicContact CB-CE1 3.74Å; R47-F83 HydrophobicContact CB-CE2 3.89Å; R47-F83 HydrophobicContact CB-CG 3.91Å; R47-F83 HydrophobicContact CB-CZ 3.81Å; R47-F83 HydrophobicContact CG-CE2 4.41Å; R47-F83 CarbonylContact O-C 3.57Å; R47-F83 VanDerWaalsContact O-CA 3.28Å; R47-F83 WeakPolarHBondContact O-CA 3.31Å; R47-I84 PolarHBondContact O-N 3.27Å; R47-V200 VanDerWaalsContact NH1-CG1 3.26Å; R47-S208 WeakPolarHBondContact CA-O 3.17Å
48	Y	93.2	Very high	75.3	Confident	25 Å²	25	66.7 Å²	66.7	10%	0.098	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	130.7	-175.9	-60.4	-84.7	0	0	0	109.9	R46 I84 V86 I125 F130 S208 S209 V210	R46-Y48 HydrophobicContact CB-CE2 4.16Å; Y48-I84 WeakPolarHBondContact CA-O 3.49Å; Y48-I84 HydrophobicContact CD1-CB 3.96Å; Y48-I84 HydrophobicContact CD1-CG2 4.33Å; Y48-I84 HydrophobicContact CE1-CB 4.1Å; Y48-I84 HydrophobicContact CE1-CD1 3.89Å; Y48-I84 HydrophobicContact CE1-CG2 4.36Å; Y48-V86 HydrophobicContact CD1-CG2 3.95Å; Y48-V86 HydrophobicContact CG-CG2 4.36Å; Y48-I125 HydrophobicContact CD1-CD1 3.92Å; Y48-I125 HydrophobicContact CE1-CD1 3.63Å; Y48-F130 AromaticContact CD1-CD2 3.64Å; Y48-F130 HydrophobicContact CD1-CD2 3.64Å; Y48-F130 AromaticContact CD1-CE2 3.67Å; Y48-F130 HydrophobicContact CD1-CE2 3.67Å; Y48-F130 HydrophobicContact CD2-CD2 4.3Å; Y48-F130 AromaticContact CD2-CE2 3.6Å; Y48-F130 HydrophobicContact CD2-CE2 3.6Å; Y48-F130 AromaticContact CE1-CD2 3.89Å; Y48-F130 HydrophobicContact CE1-CD2 3.89Å; Y48-F130 HydrophobicContact CE1-CE2 4.17Å; Y48-F130 HydrophobicContact CE2-CD2 4.5Å; Y48-F130 HydrophobicContact CE2-CE2 4.1Å; Y48-F130 AromaticContact CG-CD2 3.86Å; Y48-F130 HydrophobicContact CG-CD2 3.86Å; Y48-F130 AromaticContact CG-CE2 3.35Å; Y48-F130 HydrophobicContact CG-CE2 3.35Å; Y48-F130 HydrophobicContact CG-CZ 4.33Å; Y48-S208 PolarHBondContact N-O 2.94Å; Y48-S209 WeakPolarHBondContact O-CA 3.45Å; Y48-V210 PolarHBondContact O-N 2.82Å
49	L	95.8	Very high	77.5	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	119.7	170.6	-175.3	63.1	0	0	0	108.3	I69 V72 V73 F83 I84 L85 V86 V196 V210 I212	L49-I69 HydrophobicContact CD2-CG2 3.9Å; L49-I69 HydrophobicContact CG-CG2 4.5Å; L49-V72 HydrophobicContact CD2-CB 4.42Å; L49-V72 HydrophobicContact CD2-CG1 4.24Å; L49-V73 HydrophobicContact CB-CG2 4.18Å; L49-V73 HydrophobicContact CD2-CG2 3.59Å; L49-V73 HydrophobicContact CG-CG2 4.48Å; L49-F83 HydrophobicContact CB-CD1 3.94Å; L49-F83 HydrophobicContact CB-CE1 4.31Å; L49-I84 PolarHBondContact N-O 3.44Å; L49-L85 WeakPolarHBondContact O-CD1 3.48Å; L49-V86 PolarHBondContact O-N 3.1Å; L49-V196 HydrophobicContact CD1-CG1 4.34Å; L49-V196 HydrophobicContact CD1-CG2 4.06Å; L49-V210 WeakPolarHBondContact CA-O 3.39Å; L49-V210 HydrophobicContact CD1-CB 4.45Å; L49-V210 HydrophobicContact CD1-CG1 4.45Å; L49-I212 HydrophobicContact CD1-CD1 3.98Å; L49-I212 HydrophobicContact CD1-CG1 4.03Å
50	L	96.7	Very high	80	Confident	2 Å²	2	58.3 Å²	58.3	1%	0.01	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	160.3	169.1	-54.7	92.2	0	0	0	108.5	V86 L127 F130 V140 W170 V210 M211 I212	L50-V86 HydrophobicContact CD2-CB 4.34Å; L50-V86 HydrophobicContact CD2-CG1 4.23Å; L50-V86 HydrophobicContact CG-CB 3.92Å; L50-V86 HydrophobicContact CG-CG1 4.37Å; L50-V86 HydrophobicContact CG-CG2 4.11Å; L50-L127 HydrophobicContact CD2-CD1 3.99Å; L50-F130 HydrophobicContact CD1-CE1 4.46Å; L50-F130 HydrophobicContact CD1-CZ 4.33Å; L50-F130 HydrophobicContact CD2-CE1 3.99Å; L50-V140 HydrophobicContact CD1-CG1 4.15Å; L50-W170 HydrophobicContact CB-CH2 4.15Å; L50-W170 HydrophobicContact CD2-CH2 4.1Å; L50-W170 HydrophobicContact CD2-CZ3 3.97Å; L50-V210 PolarHBondContact N-O 3.02Å; L50-M211 HydrophobicContact CB-CB 3.99Å; L50-M211 HydrophobicContact CB-CG 4.04Å; L50-M211 WeakPolarHBondContact O-CA 3.43Å; L50-I212 PolarHBondContact O-N 3.33Å
51	Y	96.7	Very high	82.5	Confident	4 Å²	4	53.4 Å²	53.4	2%	0.016	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	152	173.4	73.6	-79.5	0	0	0	112.7	V53 V65 I69 L85 P88 W170 I212 A215	Y51-V53 HydrophobicContact CD2-CG2 4.2Å; Y51-V53 HydrophobicContact CE2-CG2 4.11Å; Y51-V65 HydrophobicContact CD2-CG1 4.33Å; Y51-V65 HydrophobicContact CE2-CG1 4.23Å; Y51-I69 HydrophobicContact CD1-CB 4.25Å; Y51-I69 HydrophobicContact CD1-CG1 4.14Å; Y51-I69 HydrophobicContact CD1-CG2 3.74Å; Y51-I69 HydrophobicContact CD2-CG1 3.9Å; Y51-I69 HydrophobicContact CE1-CB 4.46Å; Y51-I69 HydrophobicContact CE1-CG2 4.17Å; Y51-I69 HydrophobicContact CE2-CG1 4.39Å; Y51-I69 HydrophobicContact CG-CB 4.38Å; Y51-I69 HydrophobicContact CG-CD1 4.28Å; Y51-I69 HydrophobicContact CG-CG1 3.75Å; Y51-I69 HydrophobicContact CG-CG2 4.17Å; Y51-L85 HydrophobicContact CD1-CD1 3.94Å; Y51-L85 HydrophobicContact CE1-CD1 4.02Å; Y51-P88 HydrophobicContact CD1-CG 4.16Å; Y51-P88 HydrophobicContact CD2-CG 4.4Å; Y51-P88 HydrophobicContact CE1-CG 3.6Å; Y51-P88 HydrophobicContact CE2-CG 3.86Å; Y51-P88 VanDerWaalsContact CZ-CG 3.41Å; Y51-P88 WeakPolarHBondContact O-CB 3.41Å; Y51-W170 VanDerWaalsContact O-CZ2 3.24Å; Y51-W170 WeakPolarHBondContact O-CZ2 3.38Å; Y51-I212 CarbonylContact C-O 3.37Å; Y51-I212 WeakPolarHBondContact CA-O 3.43Å; Y51-I212 WeakPolarHBondContact CB-O 3.44Å; Y51-A215 HydrophobicContact CD2-CB 4.09Å
52	E	94.3	Very high	85.3	Confident	13 Å²	13	51 Å²	51	6%	0.061	27%	0.27	C	S	.	.			trans	-128.6	158.3	169.4	-177.5	57	-88.9	0	0	110.5	R62 W170 M211 I212 R214 A215	E52-R62 IonicContact OE1-CZ 3.2Å; E52-R62 IonicContact OE1-NH1 2.76Å; E52-R62 PolarHBondContact OE1-NH1 3.39Å; E52-R62 IonicContact OE1-NH2 2.78Å; E52-W170 HydrophobicContact CB-CZ2 4.18Å; E52-W170 VanDerWaalsContact OE2-CD1 3.26Å; E52-W170 PolarHBondContact OE2-NE1 3.32Å; E52-M211 HydrophobicContact CB-CE 3.56Å; E52-I212 PolarHBondContact N-O 3.5Å; E52-R214 PolarHBondContact O-N 3.43Å; E52-R214 VanDerWaalsContact O-N 3.15Å; E52-A215 WeakPolarHBondContact O-CB 3.47Å; E52-A215 PolarHBondContact O-N 2.9Å
53	V	92.9	Very high	87.8	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.006	24%	0.24	C	C	.	.			trans	-119.5	148.6	-179.8	-177.1	0	0	0	0	108.6	Y51 E57 L61 R62 V65 E216	Y51-V53 HydrophobicContact CD2-CG2 4.2Å; Y51-V53 HydrophobicContact CE2-CG2 4.11Å; V53-E57 HydrophobicContact CG1-CB 3.68Å; V53-E57 HydrophobicContact CG1-CG 3.64Å; V53-L61 HydrophobicContact CG1-CD2 4.32Å; V53-R62 HydrophobicContact CB-CG 4.18Å; V53-R62 HydrophobicContact CG1-CG 4.14Å; V53-R62 HydrophobicContact CG2-CG 4.28Å; V53-R62 PolarHBondContact O-NH2 2.72Å; V53-V65 HydrophobicContact CG1-CG2 4.45Å; V53-V65 HydrophobicContact CG2-CB 4.01Å; V53-V65 HydrophobicContact CG2-CG1 3.72Å; V53-V65 HydrophobicContact CG2-CG2 4.29Å; V53-E216 WeakPolarHBondContact CA-OE2 3.45Å; V53-E216 HydrophobicContact CG1-CB 4.09Å
54	N	89.6	Confident	90.2	Very high	42 Å²	42	43.4 Å²	43.4	23%	0.225	22%	0.217	C	C	.	.			trans	-39.2	126.9	171.7	175.2	35.7	0	0	0	112.5	G56 E57 R62 E216	N54-G56 PolarHBondContact O-N 2.96Å; N54-E57 HydrophobicContact CB-CG 3.82Å; N54-E57 WeakPolarHBondContact O-CB 3.37Å; N54-E57 WeakPolarHBondContact O-CG 3.38Å; N54-E57 PolarHBondContact O-N 2.94Å; N54-R62 PolarHBondContact O-NH2 3.43Å; N54-E216 HydrophobicContact CB-CG 4.33Å; N54-E216 WeakPolarHBondContact CB-OE1 3.41Å; N54-E216 PolarHBondContact N-OE2 2.02Å
55	P	86.6	Confident	92.2	Very high	65 Å²	65	38.2 Å²	38.2	42%	0.422	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-27.8	-175.9	-29.8	35.8	0	0	0	114.9	E57 S93	P55-E57 PolarHBondContact O-N 3.48Å; P55-S93 PolarHBondContact O-OG 3.42Å
56	G	87.4	Confident	93.2	Very high	34 Å²	34	36 Å²	36	35%	0.351	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-9.4	176.9	0	0	0	0	0	115.1	N54 H95	N54-G56 PolarHBondContact O-N 2.96Å; G56-H95 PolarHBondContact O-CD2 2.92Å; G56-H95 PolarHBondContact O-NE2 3.27Å
57	E	90.5	Very high	93.8	Very high	48 Å²	48	29 Å²	29	22%	0.224	16%	0.158	C	C	.	.			trans	-84.4	134	-177.6	-59	-62.2	167.4	0	0	112.8	V53 N54 P55 L61 R62 S93	V53-E57 HydrophobicContact CG1-CB 3.68Å; V53-E57 HydrophobicContact CG1-CG 3.64Å; N54-E57 HydrophobicContact CB-CG 3.82Å; N54-E57 WeakPolarHBondContact O-CB 3.37Å; N54-E57 WeakPolarHBondContact O-CG 3.38Å; N54-E57 PolarHBondContact O-N 2.94Å; P55-E57 PolarHBondContact O-N 3.48Å; E57-L61 HydrophobicContact CB-CD2 3.89Å; E57-L61 HydrophobicContact CG-CD2 3.78Å; E57-L61 WeakPolarHBondContact OE2-CD1 3.36Å; E57-R62 HydrophobicContact CB-CG 4.45Å; E57-R62 PolarHBondContact O-NE 3.45Å; E57-S93 PolarHBondContact O-OG 3.4Å
58	G	90.6	Very high	94.2	Very high	21 Å²	21	28.5 Å²	28.5	22%	0.216	16%	0.156	C	C	.	.			trans	-79.7	176.1	-179.3	0	0	0	0	0	114.9	N60 L61 R62	G58-N60 PolarHBondContact O-N 3.28Å; G58-L61 PolarHBondContact O-N 2.82Å; G58-R62 WeakPolarHBondContact O-CG 3.04Å; G58-R62 PolarHBondContact O-N 3.31Å; G58-R62 VanDerWaalsContact O-N 3.11Å
59	F	91	Very high	94.5	Very high	48 Å²	48	27.3 Å²	27.3	21%	0.211	15%	0.152	C	C	.	.	H	α-helix	trans	-49.3	-51.5	-177.9	-173.7	-87	0	0	0	113.6	R62 R63 W90 W96 W112 F113	F59-R62 PolarHBondContact O-N 2.85Å; F59-R63 HydrophobicContact CD1-CG 4.26Å; F59-R63 HydrophobicContact CE1-CG 4.12Å; F59-R63 WeakPolarHBondContact O-CG 3.49Å; F59-R63 PolarHBondContact O-N 3.37Å; F59-R63 VanDerWaalsContact O-N 3.07Å; F59-W90 HydrophobicContact CD2-CZ3 4.42Å; F59-W90 HydrophobicContact CE2-CE3 4.46Å; F59-W90 HydrophobicContact CE2-CZ3 4.42Å; F59-W96 HydrophobicContact CB-CZ2 3.81Å; F59-W96 AromaticContact CD2-CE2 4Å; F59-W96 AromaticContact CD2-CH2 2.95Å; F59-W96 HydrophobicContact CD2-CH2 2.95Å; F59-W96 AromaticContact CD2-CZ2 3.11Å; F59-W96 HydrophobicContact CD2-CZ2 3.11Å; F59-W96 AromaticContact CD2-CZ3 3.73Å; F59-W96 HydrophobicContact CD2-CZ3 3.73Å; F59-W96 AromaticContact CE2-CH2 3.28Å; F59-W96 HydrophobicContact CE2-CH2 3.28Å; F59-W96 AromaticContact CE2-CZ2 3.91Å; F59-W96 HydrophobicContact CE2-CZ2 3.91Å; F59-W96 AromaticContact CE2-CZ3 3.96Å; F59-W96 HydrophobicContact CE2-CZ3 3.96Å; F59-W96 HydrophobicContact CG-CH2 4.09Å; F59-W96 AromaticContact CG-CZ2 3.85Å; F59-W96 HydrophobicContact CG-CZ2 3.85Å; F59-W112 HydrophobicContact CE2-CD2 4.22Å; F59-W112 HydrophobicContact CE2-CG 4.28Å; F59-W112 HydrophobicContact CZ-CB 4.43Å; F59-W112 HydrophobicContact CZ-CD2 4.44Å; F59-W112 HydrophobicContact CZ-CG 4.34Å; F59-F113 HydrophobicContact CE1-CZ 4.41Å; F59-F113 HydrophobicContact CZ-CE2 4.17Å; F59-F113 HydrophobicContact CZ-CZ 4.2Å
60	N	92.9	Very high	94.6	Very high	108 Å²	108	27.3 Å²	27.3	58%	0.578	15%	0.152	S	C	*	.	H	α-helix	trans	-73.2	-33.2	-172.2	-71.2	-52.8	0	0	0	113.3	G58 R63 D64	G58-N60 PolarHBondContact O-N 3.28Å; N60-R63 WeakPolarHBondContact O-CB 3.39Å; N60-R63 PolarHBondContact O-N 2.87Å; N60-R63 PolarHBondContact OD1-NH1 3.47Å; N60-D64 PolarHBondContact O-N 3.23Å
61	L	95	Very high	94.7	Very high	65 Å²	65	28.1 Å²	28.1	34%	0.34	16%	0.158	S	C	.	.	H	α-helix	trans	-69.8	-39.4	173.1	-170.6	140.7	0	0	0	110.8	V53 E57 G58 R63 D64 V65 E216	V53-L61 HydrophobicContact CG1-CD2 4.32Å; E57-L61 HydrophobicContact CB-CD2 3.89Å; E57-L61 HydrophobicContact CG-CD2 3.78Å; E57-L61 WeakPolarHBondContact OE2-CD1 3.36Å; G58-L61 PolarHBondContact O-N 2.82Å; L61-R63 PolarHBondContact O-N 3.31Å; L61-D64 WeakPolarHBondContact O-CA 3.45Å; L61-D64 WeakPolarHBondContact O-CB 3.47Å; L61-D64 PolarHBondContact O-N 3.04Å; L61-V65 HydrophobicContact CD2-CG2 3.76Å; L61-V65 WeakPolarHBondContact O-CG2 3.49Å; L61-V65 PolarHBondContact O-N 3.37Å; L61-E216 HydrophobicContact CD2-CB 4.25Å
62	R	96.1	Very high	94.7	Very high	29 Å²	29	28 Å²	28	11%	0.109	16%	0.157	C	C	.	.	H	α-helix	trans	-59.2	-34.9	174.2	-71.8	172	174.8	-86.1	-13.9	112.6	E52 V53 N54 E57 G58 F59 V65 Y66 W90	E52-R62 IonicContact OE1-CZ 3.2Å; E52-R62 IonicContact OE1-NH1 2.76Å; E52-R62 PolarHBondContact OE1-NH1 3.39Å; E52-R62 IonicContact OE1-NH2 2.78Å; V53-R62 HydrophobicContact CB-CG 4.18Å; V53-R62 HydrophobicContact CG1-CG 4.14Å; V53-R62 HydrophobicContact CG2-CG 4.28Å; V53-R62 PolarHBondContact O-NH2 2.72Å; N54-R62 PolarHBondContact O-NH2 3.43Å; E57-R62 HydrophobicContact CB-CG 4.45Å; E57-R62 PolarHBondContact O-NE 3.45Å; G58-R62 WeakPolarHBondContact O-CG 3.04Å; G58-R62 PolarHBondContact O-N 3.31Å; G58-R62 VanDerWaalsContact O-N 3.11Å; F59-R62 PolarHBondContact O-N 2.85Å; R62-V65 PolarHBondContact O-N 3.37Å; R62-Y66 PolarHBondContact O-N 2.81Å; R62-W90 HydrophobicContact CB-CH2 4.5Å; R62-W90 HydrophobicContact CB-CZ3 3.85Å
63	R	97.2	Very high	94.9	Very high	22 Å²	22	27.3 Å²	27.3	8%	0.083	15%	0.154	C	C	.	.	H	α-helix	trans	-64	-39.7	170.8	-72.8	169.6	63.5	-178.4	17.8	113	F59 N60 L61 Y66 M67 W90 F113 M235 Y237	F59-R63 HydrophobicContact CD1-CG 4.26Å; F59-R63 HydrophobicContact CE1-CG 4.12Å; F59-R63 WeakPolarHBondContact O-CG 3.49Å; F59-R63 PolarHBondContact O-N 3.37Å; F59-R63 VanDerWaalsContact O-N 3.07Å; N60-R63 WeakPolarHBondContact O-CB 3.39Å; N60-R63 PolarHBondContact O-N 2.87Å; N60-R63 PolarHBondContact OD1-NH1 3.47Å; L61-R63 PolarHBondContact O-N 3.31Å; R63-Y66 WeakPolarHBondContact O-CB 3.47Å; R63-Y66 PolarHBondContact O-N 2.81Å; R63-M67 PolarHBondContact O-N 3.11Å; R63-W90 HydrophobicContact CG-CH2 4.12Å; R63-F113 HydrophobicContact CG-CE2 4.49Å; R63-F113 HydrophobicContact CG-CZ 3.94Å; R63-M235 HydrophobicContact CB-CE 3.75Å; R63-M235 HydrophobicContact CG-CE 3.86Å; R63-Y237 PolarHBondContact NH1-OH 2.81Å; R63-Y237 PolarHBondContact NH2-OH 3.45Å
64	D	98.2	Very high	95.1	Very high	35 Å²	35	28.7 Å²	28.7	19%	0.187	16%	0.159	C	C	.	.	H	α-helix	trans	-67.1	-40.9	175.4	-174.2	74.2	0	0	0	111.2	N60 L61 Y66 M67 R68 H220	N60-D64 PolarHBondContact O-N 3.23Å; L61-D64 WeakPolarHBondContact O-CA 3.45Å; L61-D64 WeakPolarHBondContact O-CB 3.47Å; L61-D64 PolarHBondContact O-N 3.04Å; D64-Y66 VanDerWaalsContact C-N 3.33Å; D64-Y66 PolarHBondContact O-N 2.9Å; D64-M67 WeakPolarHBondContact O-CB 3.42Å; D64-M67 PolarHBondContact O-N 3.03Å; D64-M67 VanDerWaalsContact O-N 3.09Å; D64-R68 PolarHBondContact O-N 3.34Å; D64-R68 IonicContact OD2-CZ 3.33Å; D64-R68 IonicContact OD2-NE 3.18Å; D64-R68 PolarHBondContact OD2-NE 3.07Å; D64-R68 IonicContact OD2-NH2 3.71Å; D64-R68 PolarHBondContact OD2-NH2 3.4Å; D64-H220 IonicContact OD1-CD2 3.67Å; D64-H220 IonicContact OD1-CE1 2.86Å; D64-H220 PolarHBondContact OD1-CE1 2.74Å; D64-H220 IonicContact OD1-NE2 3.6Å; D64-H220 PolarHBondContact OD1-NE2 2.8Å; D64-H220 IonicContact OD2-CD2 3.22Å; D64-H220 IonicContact OD2-CE1 2.73Å; D64-H220 IonicContact OD2-NE2 3.44Å; D64-H220 PolarHBondContact OD2-NE2 3.07Å
65	V	97.9	Very high	95.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.4	-37.3	175.2	179.2	0	0	0	0	112.1	Y51 V53 L61 R62 M67 R68 I69 A215 E216	Y51-V65 HydrophobicContact CD2-CG1 4.33Å; Y51-V65 HydrophobicContact CE2-CG1 4.23Å; V53-V65 HydrophobicContact CG1-CG2 4.45Å; V53-V65 HydrophobicContact CG2-CB 4.01Å; V53-V65 HydrophobicContact CG2-CG1 3.72Å; V53-V65 HydrophobicContact CG2-CG2 4.29Å; L61-V65 HydrophobicContact CD2-CG2 3.76Å; L61-V65 WeakPolarHBondContact O-CG2 3.49Å; L61-V65 PolarHBondContact O-N 3.37Å; R62-V65 PolarHBondContact O-N 3.37Å; V65-M67 PolarHBondContact O-N 3.28Å; V65-R68 WeakPolarHBondContact O-CB 3.35Å; V65-R68 PolarHBondContact O-N 3.1Å; V65-I69 HydrophobicContact CG1-CG1 4.39Å; V65-I69 PolarHBondContact O-N 2.91Å; V65-A215 HydrophobicContact CG1-CB 3.62Å; V65-E216 HydrophobicContact CG2-CB 4.01Å
66	Y	98.6	Very high	96	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-51.8	-44.2	171.3	163.6	-91.2	0	0	0	111.6	R62 R63 D64 R68 I69 A70 L85 L87 W109 L118 V124 M235	R62-Y66 PolarHBondContact O-N 2.81Å; R63-Y66 WeakPolarHBondContact O-CB 3.47Å; R63-Y66 PolarHBondContact O-N 2.81Å; D64-Y66 VanDerWaalsContact C-N 3.33Å; D64-Y66 PolarHBondContact O-N 2.9Å; Y66-R68 VanDerWaalsContact C-N 3.29Å; Y66-R68 PolarHBondContact O-N 2.93Å; Y66-I69 PolarHBondContact O-N 3.3Å; Y66-A70 HydrophobicContact CE1-CB 4.23Å; Y66-A70 VanDerWaalsContact O-CB 3.27Å; Y66-A70 WeakPolarHBondContact O-CB 3.44Å; Y66-A70 PolarHBondContact O-N 3.49Å; Y66-L85 HydrophobicContact CD2-CD2 4.04Å; Y66-L85 HydrophobicContact CE2-CD2 3.6Å; Y66-L87 HydrophobicContact CD2-CD2 4.14Å; Y66-L87 HydrophobicContact CE2-CD2 3.74Å; Y66-W109 AromaticContact CD2-CH2 3.53Å; Y66-W109 HydrophobicContact CD2-CH2 3.53Å; Y66-W109 HydrophobicContact CD2-CZ2 4.23Å; Y66-W109 AromaticContact CD2-CZ3 3.92Å; Y66-W109 HydrophobicContact CD2-CZ3 3.92Å; Y66-W109 HydrophobicContact CE2-CH2 4.31Å; Y66-W109 HydrophobicContact CE2-CZ3 4.3Å; Y66-W109 AromaticContact CG-CH2 3.67Å; Y66-W109 HydrophobicContact CG-CH2 3.67Å; Y66-W109 HydrophobicContact CG-CZ3 4.1Å; Y66-L118 HydrophobicContact CE1-CD2 4.07Å; Y66-V124 HydrophobicContact CE2-CG1 4.49Å; Y66-M235 HydrophobicContact CD1-CE 3.62Å; Y66-M235 HydrophobicContact CD1-CG 4.03Å; Y66-M235 HydrophobicContact CD1-SD 3.58Å; Y66-M235 VanDerWaalsContact CD1-SD 3.58Å; Y66-M235 HydrophobicContact CE1-CE 4.26Å; Y66-M235 HydrophobicContact CE1-CG 3.78Å; Y66-M235 HydrophobicContact CE1-SD 3.96Å; Y66-M235 HydrophobicContact CG-CE 4.21Å
67	M	98.7	Very high	96.4	Very high	6 Å²	6	27.3 Å²	27.3	3%	0.03	14%	0.136	C	C	.	.	H	α-helix	trans	-64	-35.9	-179.7	-64.3	172.4	48.5	0	0	112.2	R63 D64 V65 S71 Y228 C231 R232 M235	R63-M67 PolarHBondContact O-N 3.11Å; D64-M67 WeakPolarHBondContact O-CB 3.42Å; D64-M67 PolarHBondContact O-N 3.03Å; D64-M67 VanDerWaalsContact O-N 3.09Å; V65-M67 PolarHBondContact O-N 3.28Å; M67-S71 PolarHBondContact O-N 3.36Å; M67-Y228 HydrophobicContact CE-CD1 4.14Å; M67-Y228 HydrophobicContact CE-CD2 3.43Å; M67-Y228 VanDerWaalsContact CE-CD2 3.43Å; M67-Y228 HydrophobicContact CE-CE1 4.05Å; M67-Y228 HydrophobicContact CE-CE2 3.32Å; M67-Y228 HydrophobicContact CE-CG 3.84Å; M67-Y228 WeakPolarHBondContact CE-O 3.49Å; M67-C231 HydrophobicContact CB-CB 4.45Å; M67-C231 HydrophobicContact CE-CB 4.47Å; M67-C231 HydrophobicContact CG-CB 4.32Å; M67-R232 HydrophobicContact CE-CB 3.77Å; M67-R232 HydrophobicContact SD-CB 4.01Å; M67-R232 HydrophobicContact SD-CG 4.46Å; M67-M235 HydrophobicContact CG-SD 3.78Å; M67-M235 HydrophobicContact SD-SD 4.23Å
68	R	98.3	Very high	96.6	Very high	30 Å²	30	31.9 Å²	31.9	11%	0.113	16%	0.155	C	C	.	.	H	α-helix	trans	-64.5	-49	175.7	-52.8	-179	-161.1	171.6	0.9	110.3	D64 V65 Y66 S71 V72 A189 E216 M218 H220	D64-R68 PolarHBondContact O-N 3.34Å; D64-R68 IonicContact OD2-CZ 3.33Å; D64-R68 IonicContact OD2-NE 3.18Å; D64-R68 PolarHBondContact OD2-NE 3.07Å; D64-R68 IonicContact OD2-NH2 3.71Å; D64-R68 PolarHBondContact OD2-NH2 3.4Å; V65-R68 WeakPolarHBondContact O-CB 3.35Å; V65-R68 PolarHBondContact O-N 3.1Å; Y66-R68 VanDerWaalsContact C-N 3.29Å; Y66-R68 PolarHBondContact O-N 2.93Å; R68-S71 VanDerWaalsContact O-CB 3.29Å; R68-S71 WeakPolarHBondContact O-CB 3.44Å; R68-S71 PolarHBondContact O-N 3.41Å; R68-S71 VanDerWaalsContact O-N 3.16Å; R68-V72 WeakPolarHBondContact O-CG2 3.4Å; R68-V72 PolarHBondContact O-N 2.92Å; R68-V72 VanDerWaalsContact O-N 3.15Å; R68-A189 WeakPolarHBondContact O-CB 3.21Å; R68-E216 PolarHBondContact NH1-O 2.94Å; R68-M218 HydrophobicContact CB-SD 4.04Å; R68-M218 WeakPolarHBondContact CD-O 3.44Å; R68-M218 PolarHBondContact NH1-O 3.16Å; R68-H220 VanDerWaalsContact CG-CE1 3.49Å; R68-H220 WeakPolarHBondContact CG-CE1 3.29Å; R68-H220 PolarHBondContact NE-NE2 2.97Å
69	I	98.5	Very high	96.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.2	-40.4	178	-65.4	-66.4	0	0	0	112.2	L49 Y51 V65 Y66 S71 V72 V73 L85 I212 A215 M218	L49-I69 HydrophobicContact CD2-CG2 3.9Å; L49-I69 HydrophobicContact CG-CG2 4.5Å; Y51-I69 HydrophobicContact CD1-CB 4.25Å; Y51-I69 HydrophobicContact CD1-CG1 4.14Å; Y51-I69 HydrophobicContact CD1-CG2 3.74Å; Y51-I69 HydrophobicContact CD2-CG1 3.9Å; Y51-I69 HydrophobicContact CE1-CB 4.46Å; Y51-I69 HydrophobicContact CE1-CG2 4.17Å; Y51-I69 HydrophobicContact CE2-CG1 4.39Å; Y51-I69 HydrophobicContact CG-CB 4.38Å; Y51-I69 HydrophobicContact CG-CD1 4.28Å; Y51-I69 HydrophobicContact CG-CG1 3.75Å; Y51-I69 HydrophobicContact CG-CG2 4.17Å; V65-I69 HydrophobicContact CG1-CG1 4.39Å; V65-I69 PolarHBondContact O-N 2.91Å; Y66-I69 PolarHBondContact O-N 3.3Å; I69-S71 VanDerWaalsContact C-N 3.25Å; I69-S71 PolarHBondContact O-N 3.36Å; I69-V72 WeakPolarHBondContact O-CA 3.49Å; I69-V72 VanDerWaalsContact O-CB 3.3Å; I69-V72 WeakPolarHBondContact O-CB 3.42Å; I69-V72 PolarHBondContact O-N 3.23Å; I69-V73 PolarHBondContact O-N 3.32Å; I69-L85 HydrophobicContact CG2-CD1 3.47Å; I69-L85 VanDerWaalsContact CG2-CD1 3.47Å; I69-L85 HydrophobicContact CG2-CD2 4.25Å; I69-I212 HydrophobicContact CD1-CD1 4.16Å; I69-A215 HydrophobicContact CD1-CB 3.93Å; I69-A215 HydrophobicContact CG1-CB 4.18Å; I69-M218 HydrophobicContact CD1-CE 3.85Å; I69-M218 HydrophobicContact CD1-SD 4.46Å
70	A	98.6	Very high	96.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.4	-34.5	174.8	0	0	0	0	0	111.5	Y66 V73 R74 L85 F121 V122	Y66-A70 HydrophobicContact CE1-CB 4.23Å; Y66-A70 VanDerWaalsContact O-CB 3.27Å; Y66-A70 WeakPolarHBondContact O-CB 3.44Å; Y66-A70 PolarHBondContact O-N 3.49Å; A70-V73 PolarHBondContact O-N 2.78Å; A70-R74 WeakPolarHBondContact O-CB 3.16Å; A70-R74 PolarHBondContact O-N 3.21Å; A70-L85 HydrophobicContact CB-CD2 4.35Å; A70-F121 HydrophobicContact CB-CD1 4.06Å; A70-F121 HydrophobicContact CB-CE1 3.73Å; A70-V122 HydrophobicContact CB-CG2 4.03Å
71	S	98.2	Very high	96.9	Very high	20 Å²	20	32.7 Å²	32.7	14%	0.14	15%	0.153	C	C	.	.	H	α-helix	trans	-62	-43.1	170.6	-163	0	0	0	0	112	M67 R68 I69 V73 R74 A75 D221	M67-S71 PolarHBondContact O-N 3.36Å; R68-S71 VanDerWaalsContact O-CB 3.29Å; R68-S71 WeakPolarHBondContact O-CB 3.44Å; R68-S71 PolarHBondContact O-N 3.41Å; R68-S71 VanDerWaalsContact O-N 3.16Å; I69-S71 VanDerWaalsContact C-N 3.25Å; I69-S71 PolarHBondContact O-N 3.36Å; S71-V73 PolarHBondContact O-N 2.97Å; S71-R74 PolarHBondContact O-N 3.19Å; S71-A75 WeakPolarHBondContact O-CB 3.19Å; S71-A75 PolarHBondContact O-N 3.3Å; S71-D221 PolarHBondContact OG-OD2 2.89Å
72	V	98.2	Very high	96.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-56.9	-51.2	174.3	-174.3	0	0	0	0	110.6	L49 R68 I69 R74 A75 L76 A189 A192 V193 V196 M218	L49-V72 HydrophobicContact CD2-CB 4.42Å; L49-V72 HydrophobicContact CD2-CG1 4.24Å; R68-V72 WeakPolarHBondContact O-CG2 3.4Å; R68-V72 PolarHBondContact O-N 2.92Å; R68-V72 VanDerWaalsContact O-N 3.15Å; I69-V72 WeakPolarHBondContact O-CA 3.49Å; I69-V72 VanDerWaalsContact O-CB 3.3Å; I69-V72 WeakPolarHBondContact O-CB 3.42Å; I69-V72 PolarHBondContact O-N 3.23Å; V72-R74 VanDerWaalsContact C-N 3.32Å; V72-R74 PolarHBondContact O-N 3.49Å; V72-A75 PolarHBondContact O-N 3.35Å; V72-A75 VanDerWaalsContact O-N 3.15Å; V72-L76 HydrophobicContact CG1-CD1 3.86Å; V72-L76 HydrophobicContact CG1-CG 4.39Å; V72-L76 WeakPolarHBondContact O-CG 3.49Å; V72-L76 PolarHBondContact O-N 3.18Å; V72-A189 HydrophobicContact CG2-CB 3.8Å; V72-A189 WeakPolarHBondContact CG2-O 3.39Å; V72-A192 HydrophobicContact CG2-CB 4.12Å; V72-V193 HydrophobicContact CG1-CG2 4.18Å; V72-V196 HydrophobicContact CG1-CG2 4.17Å; V72-M218 HydrophobicContact CG2-CE 3.92Å; V72-M218 HydrophobicContact CG2-SD 3.59Å; V72-M218 VanDerWaalsContact CG2-SD 3.59Å
73	V	98.1	Very high	96.7	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-59.9	-44.2	179.7	174.8	0	0	0	0	111	L49 I69 A70 S71 A75 L76 R77 F83 L85 V122	L49-V73 HydrophobicContact CB-CG2 4.18Å; L49-V73 HydrophobicContact CD2-CG2 3.59Å; L49-V73 HydrophobicContact CG-CG2 4.48Å; I69-V73 PolarHBondContact O-N 3.32Å; A70-V73 PolarHBondContact O-N 2.78Å; S71-V73 PolarHBondContact O-N 2.97Å; V73-A75 VanDerWaalsContact C-N 3.32Å; V73-A75 PolarHBondContact O-N 2.9Å; V73-L76 PolarHBondContact O-N 3.48Å; V73-R77 HydrophobicContact CG1-CG 4.41Å; V73-R77 VanDerWaalsContact O-CG 3.28Å; V73-R77 WeakPolarHBondContact O-CG 3.29Å; V73-R77 PolarHBondContact O-N 3.15Å; V73-F83 HydrophobicContact CG1-CB 4.23Å; V73-L85 HydrophobicContact CG2-CB 4.09Å; V73-L85 HydrophobicContact CG2-CD1 4.38Å; V73-V122 HydrophobicContact CB-CG1 4.36Å; V73-V122 HydrophobicContact CG1-CB 4.04Å; V73-V122 HydrophobicContact CG1-CG1 4.17Å
74	R	97.8	Very high	96.6	Very high	30 Å²	30	29.9 Å²	29.9	11%	0.113	14%	0.142	C	C	.	.	H	α-helix	trans	-62	-41	177.2	-170.7	168.6	59.5	175.1	-16.3	112	A70 S71 V72 R77 K78 F121 V122 D227	A70-R74 WeakPolarHBondContact O-CB 3.16Å; A70-R74 PolarHBondContact O-N 3.21Å; S71-R74 PolarHBondContact O-N 3.19Å; V72-R74 VanDerWaalsContact C-N 3.32Å; V72-R74 PolarHBondContact O-N 3.49Å; R74-R77 PolarHBondContact O-N 3.37Å; R74-K78 WeakPolarHBondContact O-CG 3.27Å; R74-K78 PolarHBondContact O-N 2.72Å; R74-F121 VanDerWaalsContact NH2-CZ 3.25Å; R74-V122 HydrophobicContact CB-CG1 3.72Å; R74-V122 HydrophobicContact CG-CG1 4.44Å; R74-D227 IonicContact CZ-OD1 3.98Å; R74-D227 VanDerWaalsContact CZ-OD1 3.23Å; R74-D227 IonicContact CZ-OD2 2.66Å; R74-D227 IonicContact NE-OD2 3.21Å; R74-D227 IonicContact NH1-OD1 3.65Å; R74-D227 PolarHBondContact NH1-OD1 2.81Å; R74-D227 IonicContact NH1-OD2 3.71Å; R74-D227 VanDerWaalsContact NH2-CA 3.29Å; R74-D227 PolarHBondContact NH2-O 3.24Å; R74-D227 IonicContact NH2-OD1 3.61Å; R74-D227 PolarHBondContact NH2-OD1 2.81Å; R74-D227 IonicContact NH2-OD2 2.99Å; R74-D227 PolarHBondContact NH2-OD2 2.77Å; R74-D227 VanDerWaalsContact NH2-OD2 3.1Å
75	A	97.4	Very high	96.6	Very high	19 Å²	19	28.2 Å²	28.2	16%	0.157	13%	0.133	C	C	.	.	H	α-helix	trans	-66.7	-41.8	177.1	0	0	0	0	0	112.3	S71 V72 V73 R77 K78 R79 V193	S71-A75 WeakPolarHBondContact O-CB 3.19Å; S71-A75 PolarHBondContact O-N 3.3Å; V72-A75 PolarHBondContact O-N 3.35Å; V72-A75 VanDerWaalsContact O-N 3.15Å; V73-A75 VanDerWaalsContact C-N 3.32Å; V73-A75 PolarHBondContact O-N 2.9Å; A75-R77 VanDerWaalsContact C-N 3.32Å; A75-R77 PolarHBondContact O-N 3.16Å; A75-K78 PolarHBondContact O-N 3.36Å; A75-R79 WeakPolarHBondContact O-CG 3.48Å; A75-R79 PolarHBondContact O-N 3.47Å; A75-V193 HydrophobicContact CB-CG2 3.56Å
76	L	96.2	Very high	96.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-57.4	-45	172.7	-74.5	163	0	0	0	111.5	V72 V73 R79 G80 H81 F83 V193 V196 L197	V72-L76 HydrophobicContact CG1-CD1 3.86Å; V72-L76 HydrophobicContact CG1-CG 4.39Å; V72-L76 WeakPolarHBondContact O-CG 3.49Å; V72-L76 PolarHBondContact O-N 3.18Å; V73-L76 PolarHBondContact O-N 3.48Å; L76-R79 CarbonylContact O-C 3.58Å; L76-R79 PolarHBondContact O-N 3.37Å; L76-G80 PolarHBondContact O-N 2.56Å; L76-H81 HydrophobicContact CB-CB 4.49Å; L76-H81 WeakPolarHBondContact O-CB 3.35Å; L76-H81 PolarHBondContact O-N 2.92Å; L76-F83 HydrophobicContact CB-CB 4.37Å; L76-F83 HydrophobicContact CB-CD2 3.87Å; L76-F83 HydrophobicContact CB-CG 4.32Å; L76-F83 HydrophobicContact CD1-CB 4.36Å; L76-F83 HydrophobicContact CD1-CD1 4.15Å; L76-F83 HydrophobicContact CD1-CD2 3.79Å; L76-F83 HydrophobicContact CD1-CE1 4.34Å; L76-F83 HydrophobicContact CD1-CE2 4Å; L76-F83 HydrophobicContact CD1-CG 3.84Å; L76-F83 HydrophobicContact CD1-CZ 4.24Å; L76-F83 HydrophobicContact CD2-CD2 4.13Å; L76-F83 HydrophobicContact CD2-CE2 3.91Å; L76-F83 HydrophobicContact CG-CD2 4.16Å; L76-F83 HydrophobicContact CG-CE2 4.38Å; L76-V193 HydrophobicContact CD2-CG1 3.72Å; L76-V193 HydrophobicContact CG-CG1 4.08Å; L76-V196 HydrophobicContact CD1-CB 4.32Å; L76-V196 HydrophobicContact CD1-CG1 3.85Å; L76-V196 HydrophobicContact CD2-CG1 4.33Å; L76-L197 HydrophobicContact CD2-CD1 4.24Å; L76-L197 HydrophobicContact CD2-CD2 3.57Å; L76-L197 HydrophobicContact CD2-CG 3.68Å
77	R	95.9	Very high	96.6	Very high	93 Å²	93	28.3 Å²	28.3	35%	0.351	13%	0.134	S	C	.	.	H	α-helix	trans	-66.4	-40.1	177.7	-67.7	-177.9	74.2	71.9	7.2	112.8	V73 R74 A75 R79 G80 H81 N82 F83	V73-R77 HydrophobicContact CG1-CG 4.41Å; V73-R77 VanDerWaalsContact O-CG 3.28Å; V73-R77 WeakPolarHBondContact O-CG 3.29Å; V73-R77 PolarHBondContact O-N 3.15Å; R74-R77 PolarHBondContact O-N 3.37Å; A75-R77 VanDerWaalsContact C-N 3.32Å; A75-R77 PolarHBondContact O-N 3.16Å; R77-R79 PolarHBondContact O-N 3.2Å; R77-G80 WeakPolarHBondContact O-CA 3.17Å; R77-G80 PolarHBondContact O-N 2.89Å; R77-H81 VanDerWaalsContact CA-O 3.3Å; R77-H81 WeakPolarHBondContact CA-O 3.47Å; R77-H81 WeakPolarHBondContact CG-O 3.49Å; R77-N82 PolarHBondContact NH1-OD1 3.09Å; R77-F83 WeakPolarHBondContact CD-O 3.43Å; R77-F83 PolarHBondContact NH1-O 3.01Å
78	K	95.9	Very high	96.5	Very high	143 Å²	143	28.5 Å²	28.5	62%	0.622	14%	0.135	S	C	*	.	H	α-helix	trans	-60.2	-32.3	172.6	-75.7	175.4	179.7	175.8	0	112.2	R74 A75 G80 D227	R74-K78 WeakPolarHBondContact O-CG 3.27Å; R74-K78 PolarHBondContact O-N 2.72Å; A75-K78 PolarHBondContact O-N 3.36Å; K78-G80 PolarHBondContact O-N 2.95Å; K78-D227 IonicContact NZ-OD2 2.64Å; K78-D227 PolarHBondContact NZ-OD2 2.92Å
79	R	94.8	Very high	96.3	Very high	111 Å²	111	27.7 Å²	27.7	42%	0.419	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	4.8	172.5	-65.2	-175.6	-172.2	-170.1	7.2	114	A75 L76 R77 V193 D194	A75-R79 WeakPolarHBondContact O-CG 3.48Å; A75-R79 PolarHBondContact O-N 3.47Å; L76-R79 CarbonylContact O-C 3.58Å; L76-R79 PolarHBondContact O-N 3.37Å; R77-R79 PolarHBondContact O-N 3.2Å; R79-V193 VanDerWaalsContact CZ-CG1 3.49Å; R79-D194 IonicContact CZ-OD1 3.62Å; R79-D194 IonicContact NH1-OD1 2.73Å; R79-D194 PolarHBondContact NH1-OD1 3.17Å; R79-D194 IonicContact NH1-OD2 3.84Å; R79-D194 IonicContact NH2-OD1 3.58Å; R79-D194 IonicContact NH2-OD2 2.66Å
80	G	92.9	Very high	96	Very high	29 Å²	29	28.2 Å²	28.2	30%	0.299	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.2	7.1	175.7	0	0	0	0	0	115.2	K44 L76 R77 K78	K44-G80 WeakPolarHBondContact CD-O 3.14Å; K44-G80 WeakPolarHBondContact CE-O 3.46Å; K44-G80 PolarHBondContact NZ-O 2.96Å; L76-G80 PolarHBondContact O-N 2.56Å; R77-G80 WeakPolarHBondContact O-CA 3.17Å; R77-G80 PolarHBondContact O-N 2.89Å; K78-G80 PolarHBondContact O-N 2.95Å
81	H	91.7	Very high	95.2	Very high	55 Å²	55	29 Å²	29	26%	0.255	14%	0.144	S	C	.	.			trans	-89.5	127.6	176	-56.4	-80.4	0	0	0	111.1	L76 R77 F83	L76-H81 HydrophobicContact CB-CB 4.49Å; L76-H81 WeakPolarHBondContact O-CB 3.35Å; L76-H81 PolarHBondContact O-N 2.92Å; R77-H81 VanDerWaalsContact CA-O 3.3Å; R77-H81 WeakPolarHBondContact CA-O 3.47Å; R77-H81 WeakPolarHBondContact CG-O 3.49Å; H81-F83 HydrophobicContact CB-CD2 3.72Å; H81-F83 HydrophobicContact CB-CE2 4Å; H81-F83 PolarHBondContact O-N 3.36Å
82	N	92.2	Very high	94	Very high	37 Å²	37	29.6 Å²	29.6	20%	0.198	15%	0.15	C	C	.	.			trans	-82.4	62.8	-176	-169.1	26.7	0	0	0	112.5	K44 R47 R77	K44-N82 HydrophobicContact CB-CB 3.67Å; K44-N82 PolarHBondContact O-ND2 3.05Å; R47-N82 PolarHBondContact N-O 3.37Å; R77-N82 PolarHBondContact NH1-OD1 3.09Å
83	F	94.6	Very high	92.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	140.8	176	-88.5	-92.6	0	0	0	112.4	R47 L49 V73 L76 R77 H81 P123 V196 L197 V200	R47-F83 HydrophobicContact CB-CD1 3.78Å; R47-F83 HydrophobicContact CB-CD2 3.94Å; R47-F83 HydrophobicContact CB-CE1 3.74Å; R47-F83 HydrophobicContact CB-CE2 3.89Å; R47-F83 HydrophobicContact CB-CG 3.91Å; R47-F83 HydrophobicContact CB-CZ 3.81Å; R47-F83 HydrophobicContact CG-CE2 4.41Å; R47-F83 CarbonylContact O-C 3.57Å; R47-F83 VanDerWaalsContact O-CA 3.28Å; R47-F83 WeakPolarHBondContact O-CA 3.31Å; L49-F83 HydrophobicContact CB-CD1 3.94Å; L49-F83 HydrophobicContact CB-CE1 4.31Å; V73-F83 HydrophobicContact CG1-CB 4.23Å; L76-F83 HydrophobicContact CB-CB 4.37Å; L76-F83 HydrophobicContact CB-CD2 3.87Å; L76-F83 HydrophobicContact CB-CG 4.32Å; L76-F83 HydrophobicContact CD1-CB 4.36Å; L76-F83 HydrophobicContact CD1-CD1 4.15Å; L76-F83 HydrophobicContact CD1-CD2 3.79Å; L76-F83 HydrophobicContact CD1-CE1 4.34Å; L76-F83 HydrophobicContact CD1-CE2 4Å; L76-F83 HydrophobicContact CD1-CG 3.84Å; L76-F83 HydrophobicContact CD1-CZ 4.24Å; L76-F83 HydrophobicContact CD2-CD2 4.13Å; L76-F83 HydrophobicContact CD2-CE2 3.91Å; L76-F83 HydrophobicContact CG-CD2 4.16Å; L76-F83 HydrophobicContact CG-CE2 4.38Å; R77-F83 WeakPolarHBondContact CD-O 3.43Å; R77-F83 PolarHBondContact NH1-O 3.01Å; H81-F83 HydrophobicContact CB-CD2 3.72Å; H81-F83 HydrophobicContact CB-CE2 4Å; H81-F83 PolarHBondContact O-N 3.36Å; F83-P123 WeakPolarHBondContact O-CG 3.3Å; F83-V196 HydrophobicContact CE1-CG1 3.82Å; F83-V196 HydrophobicContact CE2-CG1 4.37Å; F83-V196 HydrophobicContact CZ-CG1 3.55Å; F83-L197 HydrophobicContact CE2-CD2 4.41Å; F83-V200 HydrophobicContact CZ-CG2 3.72Å
84	I	96.1	Very high	91	Very high	19 Å²	19	36 Å²	36	10%	0.097	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	133.9	170.7	-59.3	172.1	0	0	0	107.4	R46 R47 Y48 L49 P123 I125	R46-I84 HydrophobicContact CB-CD1 4.32Å; R46-I84 HydrophobicContact CG-CD1 4.15Å; R47-I84 PolarHBondContact O-N 3.27Å; Y48-I84 WeakPolarHBondContact CA-O 3.49Å; Y48-I84 HydrophobicContact CD1-CB 3.96Å; Y48-I84 HydrophobicContact CD1-CG2 4.33Å; Y48-I84 HydrophobicContact CE1-CB 4.1Å; Y48-I84 HydrophobicContact CE1-CD1 3.89Å; Y48-I84 HydrophobicContact CE1-CG2 4.36Å; L49-I84 PolarHBondContact N-O 3.44Å; I84-P123 HydrophobicContact CG1-CB 4.34Å; I84-P123 HydrophobicContact CG1-CG 4.35Å; I84-P123 HydrophobicContact CG2-CB 4.46Å; I84-I125 HydrophobicContact CG2-CB 4.46Å; I84-I125 HydrophobicContact CG2-CD1 4Å; I84-I125 HydrophobicContact CG2-CG1 3.87Å; I84-I125 HydrophobicContact CG2-CG2 3.99Å
85	L	98.3	Very high	89.4	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	121.7	175.5	-179.3	52	0	0	0	109.6	L49 Y51 Y66 I69 A70 V73 L87 V122 P123 V124 I125	L49-L85 WeakPolarHBondContact O-CD1 3.48Å; Y51-L85 HydrophobicContact CD1-CD1 3.94Å; Y51-L85 HydrophobicContact CE1-CD1 4.02Å; Y66-L85 HydrophobicContact CD2-CD2 4.04Å; Y66-L85 HydrophobicContact CE2-CD2 3.6Å; I69-L85 HydrophobicContact CG2-CD1 3.47Å; I69-L85 VanDerWaalsContact CG2-CD1 3.47Å; I69-L85 HydrophobicContact CG2-CD2 4.25Å; A70-L85 HydrophobicContact CB-CD2 4.35Å; V73-L85 HydrophobicContact CG2-CB 4.09Å; V73-L85 HydrophobicContact CG2-CD1 4.38Å; L85-L87 HydrophobicContact CD2-CD2 4.44Å; L85-L87 HydrophobicContact CG-CD2 4.38Å; L85-V122 HydrophobicContact CD2-CG2 4.44Å; L85-P123 PolarHBondContact N-O 3.35Å; L85-V124 HydrophobicContact CB-CG1 4.16Å; L85-V124 HydrophobicContact CD2-CG1 4.27Å; L85-V124 HydrophobicContact CG-CG1 4.49Å; L85-V124 CarbonylContact O-C 3.56Å; L85-V124 VanDerWaalsContact O-CA 3.29Å; L85-V124 WeakPolarHBondContact O-CA 3.5Å; L85-I125 PolarHBondContact O-N 3.43Å
86	V	97.6	Very high	87.7	Confident	2 Å²	2	40.6 Å²	40.6	1%	0.012	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	122.8	170.4	-173.8	0	0	0	0	107.9	Y48 L49 L50 I125 L127 F130	Y48-V86 HydrophobicContact CD1-CG2 3.95Å; Y48-V86 HydrophobicContact CG-CG2 4.36Å; L49-V86 PolarHBondContact O-N 3.1Å; L50-V86 HydrophobicContact CD2-CB 4.34Å; L50-V86 HydrophobicContact CD2-CG1 4.23Å; L50-V86 HydrophobicContact CG-CB 3.92Å; L50-V86 HydrophobicContact CG-CG1 4.37Å; L50-V86 HydrophobicContact CG-CG2 4.11Å; V86-I125 WeakPolarHBondContact CA-O 3.42Å; V86-I125 HydrophobicContact CG2-CD1 4.28Å; V86-I125 HydrophobicContact CG2-CG1 4.17Å; V86-L127 HydrophobicContact CG1-CB 4.09Å; V86-L127 HydrophobicContact CG1-CD1 3.67Å; V86-F130 HydrophobicContact CG1-CB 3.93Å; V86-F130 HydrophobicContact CG1-CD1 4.01Å; V86-F130 HydrophobicContact CG1-CG 4.04Å; V86-F130 HydrophobicContact CG2-CB 4.27Å; V86-F130 HydrophobicContact CG2-CD1 4.25Å; V86-F130 HydrophobicContact CG2-CD2 3.86Å; V86-F130 HydrophobicContact CG2-CE1 4.5Å; V86-F130 HydrophobicContact CG2-CE2 4.18Å; V86-F130 HydrophobicContact CG2-CG 3.88Å; V86-F130 HydrophobicContact CG2-CZ 4.49Å
87	L	98.3	Very high	86.2	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	120.6	-176.5	-62.7	176.1	0	0	0	110	Y66 L85 W109 L115 L118 V124 I125 L127	Y66-L87 HydrophobicContact CD2-CD2 4.14Å; Y66-L87 HydrophobicContact CE2-CD2 3.74Å; L85-L87 HydrophobicContact CD2-CD2 4.44Å; L85-L87 HydrophobicContact CG-CD2 4.38Å; L87-W109 HydrophobicContact CB-CD2 4.21Å; L87-W109 HydrophobicContact CB-CG 3.88Å; L87-W109 HydrophobicContact CD1-CB 3.75Å; L87-W109 HydrophobicContact CD1-CD2 4.02Å; L87-W109 HydrophobicContact CD1-CE3 4.43Å; L87-W109 HydrophobicContact CD1-CG 3.71Å; L87-W109 HydrophobicContact CD2-CD2 4.08Å; L87-W109 HydrophobicContact CD2-CE3 4.32Å; L87-W109 HydrophobicContact CD2-CZ2 4.39Å; L87-W109 HydrophobicContact CG-CD2 4.33Å; L87-W109 HydrophobicContact CG-CG 4.25Å; L87-L115 HydrophobicContact CD1-CD2 3.79Å; L87-L118 HydrophobicContact CD1-CD1 4.38Å; L87-V124 HydrophobicContact CD1-CB 4.05Å; L87-V124 HydrophobicContact CD1-CG2 4.09Å; L87-V124 HydrophobicContact CD2-CB 4.12Å; L87-V124 HydrophobicContact CD2-CG1 4.15Å; L87-V124 HydrophobicContact CG-CB 4.07Å; L87-I125 PolarHBondContact N-O 3.44Å; L87-L127 PolarHBondContact O-N 3.5Å
88	P	96.4	Very high	84.8	Confident	10 Å²	10	43.5 Å²	43.5	7%	0.065	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-69.1	126.6	176.9	27.5	-32.5	0	0	0	108.5	Y51 W109 W170	Y51-P88 HydrophobicContact CD1-CG 4.16Å; Y51-P88 HydrophobicContact CD2-CG 4.4Å; Y51-P88 HydrophobicContact CE1-CG 3.6Å; Y51-P88 HydrophobicContact CE2-CG 3.86Å; Y51-P88 VanDerWaalsContact CZ-CG 3.41Å; Y51-P88 WeakPolarHBondContact O-CB 3.41Å; P88-W109 PolarHBondContact O-NE1 3.4Å; P88-W170 HydrophobicContact CB-CZ2 3.76Å; P88-W170 VanDerWaalsContact CB-NE1 3.34Å
89	P	95.1	Very high	83.6	Confident	13 Å²	13	42.4 Å²	42.4	8%	0.084	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-63.9	152.6	-179.8	31.1	-38.6	0	0	0	110.4	I107 L127 W170 Y172	P89-I107 CarbonylContact C-O 3.48Å; P89-I107 WeakPolarHBondContact CA-O 3.46Å; P89-L127 VanDerWaalsContact CD-CD2 3.47Å; P89-L127 HydrophobicContact CG-CD2 3.88Å; P89-W170 HydrophobicContact CG-CB 3.48Å; P89-W170 VanDerWaalsContact CG-CB 3.48Å; P89-W170 HydrophobicContact CG-CD2 4.43Å; P89-W170 HydrophobicContact CG-CG 3.66Å; P89-Y172 HydrophobicContact CG-CE2 4.25Å
90	W	92.1	Very high	82.7	Confident	11 Å²	11	45.5 Å²	45.5	4%	0.042	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-83.2	161.6	178.4	-49.5	95.8	0	0	0	112	F59 R62 R63 W96 K106 I107 W109 W112 F113	F59-W90 HydrophobicContact CD2-CZ3 4.42Å; F59-W90 HydrophobicContact CE2-CE3 4.46Å; F59-W90 HydrophobicContact CE2-CZ3 4.42Å; R62-W90 HydrophobicContact CB-CH2 4.5Å; R62-W90 HydrophobicContact CB-CZ3 3.85Å; R63-W90 HydrophobicContact CG-CH2 4.12Å; W90-W96 HydrophobicContact CB-CE3 4.28Å; W90-W96 HydrophobicContact CB-CH2 3.34Å; W90-W96 HydrophobicContact CB-CZ2 4.22Å; W90-W96 HydrophobicContact CB-CZ3 3.43Å; W90-W96 VanDerWaalsContact CB-CZ3 3.43Å; W90-W96 AromaticContact CD2-CH2 3.4Å; W90-W96 HydrophobicContact CD2-CH2 3.4Å; W90-W96 VanDerWaalsContact CD2-CH2 3.4Å; W90-W96 HydrophobicContact CD2-CZ2 4.02Å; W90-W96 HydrophobicContact CD2-CZ3 4.33Å; W90-W96 AromaticContact CE3-CH2 3.13Å; W90-W96 HydrophobicContact CE3-CH2 3.13Å; W90-W96 AromaticContact CE3-CZ2 3.24Å; W90-W96 HydrophobicContact CE3-CZ2 3.24Å; W90-W96 HydrophobicContact CE3-CZ3 4.34Å; W90-W96 AromaticContact CG-CH2 3.55Å; W90-W96 HydrophobicContact CG-CH2 3.55Å; W90-W96 HydrophobicContact CG-CZ2 4.46Å; W90-W96 HydrophobicContact CG-CZ3 4.02Å; W90-W96 AromaticContact CZ3-CH2 3.96Å; W90-W96 HydrophobicContact CZ3-CH2 3.96Å; W90-W96 AromaticContact CZ3-CZ2 3.83Å; W90-W96 HydrophobicContact CZ3-CZ2 3.83Å; W90-K106 PolarHBondContact O-N 2.99Å; W90-I107 HydrophobicContact CB-CB 4.02Å; W90-I107 PolarHBondContact N-O 3.02Å; W90-I107 WeakPolarHBondContact O-CB 3.25Å; W90-I107 PolarHBondContact O-N 3.12Å; W90-W109 AromaticContact CD1-CD1 3.81Å; W90-W109 AromaticContact CE2-CD1 3.99Å; W90-W109 AromaticContact CE2-CD2 3.81Å; W90-W109 AromaticContact CE2-CE2 3.52Å; W90-W109 AromaticContact CE2-CZ2 3.89Å; W90-W109 AromaticContact CE2-NE1 3.6Å; W90-W109 AromaticContact CH2-CH2 3.79Å; W90-W109 HydrophobicContact CH2-CH2 3.79Å; W90-W109 AromaticContact CH2-CZ2 3.68Å; W90-W109 HydrophobicContact CH2-CZ2 3.68Å; W90-W109 HydrophobicContact CH2-CZ3 4.42Å; W90-W109 AromaticContact CZ2-CD2 3.64Å; W90-W109 HydrophobicContact CZ2-CD2 3.64Å; W90-W109 AromaticContact CZ2-CE2 3.32Å; W90-W109 AromaticContact CZ2-CE3 3.83Å; W90-W109 HydrophobicContact CZ2-CE3 3.83Å; W90-W109 HydrophobicContact CZ2-CG 4.41Å; W90-W109 AromaticContact CZ2-CH2 3.44Å; W90-W109 HydrophobicContact CZ2-CH2 3.44Å; W90-W109 VanDerWaalsContact CZ2-CH2 3.44Å; W90-W109 AromaticContact CZ2-CZ2 3.24Å; W90-W109 HydrophobicContact CZ2-CZ2 3.24Å; W90-W109 AromaticContact CZ2-CZ3 3.74Å; W90-W109 HydrophobicContact CZ2-CZ3 3.74Å; W90-W109 AromaticContact CZ2-NE1 3.91Å; W90-W109 AromaticContact NE1-CD1 3.24Å; W90-W109 AromaticContact NE1-CD2 3.53Å; W90-W109 AromaticContact NE1-CE2 3.57Å; W90-W109 AromaticContact NE1-CG 3.34Å; W90-W109 VanDerWaalsContact NE1-CG 3.34Å; W90-W109 AromaticContact NE1-NE1 3.35Å; W90-W112 AromaticContact CD1-CD1 3.38Å; W90-W112 AromaticContact CD1-NE1 3.73Å; W90-W112 AromaticContact NE1-CD1 3.53Å; W90-F113 HydrophobicContact CH2-CE2 4.37Å; W90-F113 HydrophobicContact CZ2-CD2 4.27Å; W90-F113 AromaticContact CZ2-CE2 3.67Å; W90-F113 HydrophobicContact CZ2-CE2 3.67Å
91	G	81.2	Confident	81.9	Confident	16 Å²	16	50.1 Å²	50.1	17%	0.165	27%	0.27	C	S	.	.			trans	112.9	-175.5	-179.7	0	0	0	0	0	113.1	S93 Q104	G91-S93 PolarHBondContact O-N 3.5Å; G91-Q104 CarbonylContact C-O 3.51Å; G91-Q104 VanDerWaalsContact CA-O 3.22Å; G91-Q104 WeakPolarHBondContact CA-O 3.38Å
92	A	73.1	Confident	81	Confident	33 Å²	33	49.5 Å²	49.5	27%	0.273	28%	0.279	S	S	.	.			trans	57.3	-2.2	-178.6	0	0	0	0	0	117.6	F103 Q104 W168	A92-F103 HydrophobicContact CB-CE2 4.42Å; A92-F103 HydrophobicContact CB-CZ 3.97Å; A92-Q104 PolarHBondContact N-O 3.37Å; A92-W168 HydrophobicContact CB-CZ2 3.59Å
93	S	67.7	Low	80.4	Confident	4 Å²	4	53.2 Å²	53.2	3%	0.028	29%	0.294	C	S	.	.	S	Bend	trans	-82.3	146.9	171.5	175.8	0	0	0	0	110.8	P55 E57 G91 H95 W96	P55-S93 PolarHBondContact O-OG 3.42Å; E57-S93 PolarHBondContact O-OG 3.4Å; G91-S93 PolarHBondContact O-N 3.5Å; S93-H95 PolarHBondContact O-N 3.4Å; S93-W96 VanDerWaalsContact CB-CD1 3.48Å; S93-W96 PolarHBondContact O-N 2.86Å
94	I	65.2	Low	79.9	Confident	131 Å²	131	55.4 Å²	55.4	67%	0.672	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-23.8	179.7	59.3	172.6	0	0	0	113.2
95	H	63.8	Low	79.5	Confident	115 Å²	115	57.6 Å²	57.6	53%	0.532	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-2	-178.4	-58.3	-65.7	0	0	0	114.3	G56 S93	G56-H95 PolarHBondContact O-CD2 2.92Å; G56-H95 PolarHBondContact O-NE2 3.27Å; S93-H95 PolarHBondContact O-N 3.4Å
96	W	63.2	Low	79.2	Confident	30 Å²	30	61 Å²	61	11%	0.114	33%	0.328	C	S	.	.	S	Bend	trans	-111.2	-8.5	-169	-72	65.3	0	0	0	114.2	F59 W90 S93 S98 Q104 W112	F59-W96 HydrophobicContact CB-CZ2 3.81Å; F59-W96 AromaticContact CD2-CE2 4Å; F59-W96 AromaticContact CD2-CH2 2.95Å; F59-W96 HydrophobicContact CD2-CH2 2.95Å; F59-W96 AromaticContact CD2-CZ2 3.11Å; F59-W96 HydrophobicContact CD2-CZ2 3.11Å; F59-W96 AromaticContact CD2-CZ3 3.73Å; F59-W96 HydrophobicContact CD2-CZ3 3.73Å; F59-W96 AromaticContact CE2-CH2 3.28Å; F59-W96 HydrophobicContact CE2-CH2 3.28Å; F59-W96 AromaticContact CE2-CZ2 3.91Å; F59-W96 HydrophobicContact CE2-CZ2 3.91Å; F59-W96 AromaticContact CE2-CZ3 3.96Å; F59-W96 HydrophobicContact CE2-CZ3 3.96Å; F59-W96 HydrophobicContact CG-CH2 4.09Å; F59-W96 AromaticContact CG-CZ2 3.85Å; F59-W96 HydrophobicContact CG-CZ2 3.85Å; W90-W96 HydrophobicContact CB-CE3 4.28Å; W90-W96 HydrophobicContact CB-CH2 3.34Å; W90-W96 HydrophobicContact CB-CZ2 4.22Å; W90-W96 HydrophobicContact CB-CZ3 3.43Å; W90-W96 VanDerWaalsContact CB-CZ3 3.43Å; W90-W96 AromaticContact CD2-CH2 3.4Å; W90-W96 HydrophobicContact CD2-CH2 3.4Å; W90-W96 VanDerWaalsContact CD2-CH2 3.4Å; W90-W96 HydrophobicContact CD2-CZ2 4.02Å; W90-W96 HydrophobicContact CD2-CZ3 4.33Å; W90-W96 AromaticContact CE3-CH2 3.13Å; W90-W96 HydrophobicContact CE3-CH2 3.13Å; W90-W96 AromaticContact CE3-CZ2 3.24Å; W90-W96 HydrophobicContact CE3-CZ2 3.24Å; W90-W96 HydrophobicContact CE3-CZ3 4.34Å; W90-W96 AromaticContact CG-CH2 3.55Å; W90-W96 HydrophobicContact CG-CH2 3.55Å; W90-W96 HydrophobicContact CG-CZ2 4.46Å; W90-W96 HydrophobicContact CG-CZ3 4.02Å; W90-W96 AromaticContact CZ3-CH2 3.96Å; W90-W96 HydrophobicContact CZ3-CH2 3.96Å; W90-W96 AromaticContact CZ3-CZ2 3.83Å; W90-W96 HydrophobicContact CZ3-CZ2 3.83Å; S93-W96 VanDerWaalsContact CB-CD1 3.48Å; S93-W96 PolarHBondContact O-N 2.86Å; W96-S98 PolarHBondContact O-N 3.41Å; W96-Q104 PolarHBondContact O-OE1 3.39Å; W96-W112 HydrophobicContact CZ3-CZ2 4.42Å
97	Q	64.3	Low	79	Confident	111 Å²	111	62 Å²	62	52%	0.519	33%	0.334	S	S	.	.			trans	-81.8	108.2	-175.8	-63.9	-176.2	1.6	0	0	109.8
98	S	65.5	Low	78.9	Confident	43 Å²	43	63.3 Å²	63.3	30%	0.301	34%	0.342	S	S	.	.			trans	-76.4	125	158.5	172.6	0	0	0	0	108.2	W96 E100 L101 G102	W96-S98 PolarHBondContact O-N 3.41Å; S98-E100 PolarHBondContact O-N 2.66Å; S98-E100 VanDerWaalsContact O-N 3.09Å; S98-E100 PolarHBondContact OG-N 2.96Å; S98-L101 PolarHBondContact O-N 2.66Å; S98-L101 VanDerWaalsContact O-N 3.17Å; S98-G102 PolarHBondContact O-N 2.99Å
99	S	71.8	Confident	79	Confident	121 Å²	121	62.9 Å²	62.9	85%	0.846	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-25.6	175.7	49.7	0	0	0	0	112.8
100	E	75.1	Confident	79.1	Confident	175 Å²	175	68 Å²	68	82%	0.818	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-26.5	-176.9	-60.3	179.4	176.4	0	0	113.3	S98	S98-E100 PolarHBondContact O-N 2.66Å; S98-E100 VanDerWaalsContact O-N 3.09Å; S98-E100 PolarHBondContact OG-N 2.96Å
101	L	75.9	Confident	79.3	Confident	126 Å²	126	72 Å²	72	66%	0.66	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	1.5	-172.2	-66.5	175.3	0	0	0	113.3	S98 Q104	S98-L101 PolarHBondContact O-N 2.66Å; S98-L101 VanDerWaalsContact O-N 3.17Å; L101-Q104 VanDerWaalsContact CB-NE2 3.26Å; L101-Q104 VanDerWaalsContact CD1-NE2 3.31Å
102	G	74.6	Confident	80.1	Confident	42 Å²	42	74.8 Å²	74.8	43%	0.433	39%	0.387	S	S	.	.			trans	68.3	-160.9	-177.7	0	0	0	0	0	113.3	S98 Q104	S98-G102 PolarHBondContact O-N 2.99Å; G102-Q104 PolarHBondContact O-N 2.91Å
103	F	78.7	Confident	81.3	Confident	116 Å²	116	73.2 Å²	73.2	51%	0.509	37%	0.374	S	S	.	.			trans	-72.2	118	-178.6	-173.3	-110.4	0	0	0	110.8	A92 E105 W168	A92-F103 HydrophobicContact CB-CE2 4.42Å; A92-F103 HydrophobicContact CB-CZ 3.97Å; F103-E105 HydrophobicContact CD1-CB 4.18Å; F103-E105 HydrophobicContact CD1-CG 3.94Å; F103-E105 HydrophobicContact CE1-CB 3.62Å; F103-E105 HydrophobicContact CE1-CG 3.65Å; F103-E105 WeakPolarHBondContact CE1-OE2 3.4Å; F103-E105 HydrophobicContact CZ-CB 4.23Å; F103-W168 HydrophobicContact CE1-CH2 4.49Å; F103-W168 HydrophobicContact CZ-CH2 4.28Å
104	Q	84.4	Confident	82.7	Confident	45 Å²	45	75.2 Å²	75.2	21%	0.21	39%	0.385	C	S	.	.			trans	-103.9	115.7	178.6	-54.8	178	4.4	0	0	109.8	G91 A92 W96 L101 G102 I107	G91-Q104 CarbonylContact C-O 3.51Å; G91-Q104 VanDerWaalsContact CA-O 3.22Å; G91-Q104 WeakPolarHBondContact CA-O 3.38Å; A92-Q104 PolarHBondContact N-O 3.37Å; W96-Q104 PolarHBondContact O-OE1 3.39Å; L101-Q104 VanDerWaalsContact CB-NE2 3.26Å; L101-Q104 VanDerWaalsContact CD1-NE2 3.31Å; G102-Q104 PolarHBondContact O-N 2.91Å; Q104-I107 HydrophobicContact CB-CD1 3.89Å
105	E	88.2	Confident	84.3	Confident	65 Å²	65	70.5 Å²	70.5	30%	0.304	36%	0.361	S	S	.	.			trans	-138.2	165.5	176.8	63.3	162.1	-163.5	0	0	111.7	F103 I107 W168	F103-E105 HydrophobicContact CD1-CB 4.18Å; F103-E105 HydrophobicContact CD1-CG 3.94Å; F103-E105 HydrophobicContact CE1-CB 3.62Å; F103-E105 HydrophobicContact CE1-CG 3.65Å; F103-E105 WeakPolarHBondContact CE1-OE2 3.4Å; F103-E105 HydrophobicContact CZ-CB 4.23Å; E105-I107 PolarHBondContact O-N 3.23Å; E105-I107 VanDerWaalsContact O-N 3.16Å; E105-W168 WeakPolarHBondContact OE2-CH2 3.44Å
106	K	91.9	Very high	85.9	Confident	72 Å²	72	70.6 Å²	70.6	31%	0.313	37%	0.365	S	S	.	.			trans	57.9	30.9	172.5	-58.8	169.8	-179.6	140.4	0	113.6	W90 W170 G171 Y172	W90-K106 PolarHBondContact O-N 2.99Å; K106-W170 WeakPolarHBondContact CG-O 3.37Å; K106-G171 VanDerWaalsContact CE-C 3.41Å; K106-G171 WeakPolarHBondContact CE-O 3.3Å; K106-G171 PolarHBondContact NZ-O 3.3Å; K106-Y172 HydrophobicContact CB-CE2 4.49Å; K106-Y172 HydrophobicContact CD-CE2 4.07Å; K106-Y172 HydrophobicContact CG-CD2 4.48Å; K106-Y172 HydrophobicContact CG-CE2 3.75Å
107	I	93.1	Very high	87.6	Confident	24 Å²	24	69.3 Å²	69.3	12%	0.123	36%	0.36	C	S	.	.	B	Isolated β-bridge	trans	-78.5	123.4	-177	-52.3	171.7	0	0	0	108.7	P89 W90 Q104 E105 L111	P89-I107 CarbonylContact C-O 3.48Å; P89-I107 WeakPolarHBondContact CA-O 3.46Å; W90-I107 HydrophobicContact CB-CB 4.02Å; W90-I107 PolarHBondContact N-O 3.02Å; W90-I107 WeakPolarHBondContact O-CB 3.25Å; W90-I107 PolarHBondContact O-N 3.12Å; Q104-I107 HydrophobicContact CB-CD1 3.89Å; E105-I107 PolarHBondContact O-N 3.23Å; E105-I107 VanDerWaalsContact O-N 3.16Å; I107-L111 HydrophobicContact CG2-CD1 3.78Å
108	P	96.1	Very high	89.2	Confident	27 Å²	27	64 Å²	64	18%	0.175	34%	0.336	C	S	.	.			trans	-75.4	156.7	-176.4	30.8	-35.1	0	0	0	112.2	K110 L111	P108-K110 VanDerWaalsContact C-N 3.31Å; P108-K110 HydrophobicContact CB-CG 4.14Å; P108-K110 HydrophobicContact CG-CG 4.06Å; P108-K110 PolarHBondContact O-N 3.07Å; P108-L111 HydrophobicContact CG-CD1 4.14Å; P108-L111 HydrophobicContact CG-CG 4.11Å
109	W	98.1	Very high	90.8	Very high	1 Å²	1	65.1 Å²	65.1	0%	0.004	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-65	-31.7	178.5	-81.6	61.9	0	0	0	113.7	Y66 L87 P88 W90 L111 W112 F113 L115 L118 E126 M235	Y66-W109 AromaticContact CD2-CH2 3.53Å; Y66-W109 HydrophobicContact CD2-CH2 3.53Å; Y66-W109 HydrophobicContact CD2-CZ2 4.23Å; Y66-W109 AromaticContact CD2-CZ3 3.92Å; Y66-W109 HydrophobicContact CD2-CZ3 3.92Å; Y66-W109 HydrophobicContact CE2-CH2 4.31Å; Y66-W109 HydrophobicContact CE2-CZ3 4.3Å; Y66-W109 AromaticContact CG-CH2 3.67Å; Y66-W109 HydrophobicContact CG-CH2 3.67Å; Y66-W109 HydrophobicContact CG-CZ3 4.1Å; L87-W109 HydrophobicContact CB-CD2 4.21Å; L87-W109 HydrophobicContact CB-CG 3.88Å; L87-W109 HydrophobicContact CD1-CB 3.75Å; L87-W109 HydrophobicContact CD1-CD2 4.02Å; L87-W109 HydrophobicContact CD1-CE3 4.43Å; L87-W109 HydrophobicContact CD1-CG 3.71Å; L87-W109 HydrophobicContact CD2-CD2 4.08Å; L87-W109 HydrophobicContact CD2-CE3 4.32Å; L87-W109 HydrophobicContact CD2-CZ2 4.39Å; L87-W109 HydrophobicContact CG-CD2 4.33Å; L87-W109 HydrophobicContact CG-CG 4.25Å; P88-W109 PolarHBondContact O-NE1 3.4Å; W90-W109 AromaticContact CD1-CD1 3.81Å; W90-W109 AromaticContact CE2-CD1 3.99Å; W90-W109 AromaticContact CE2-CD2 3.81Å; W90-W109 AromaticContact CE2-CE2 3.52Å; W90-W109 AromaticContact CE2-CZ2 3.89Å; W90-W109 AromaticContact CE2-NE1 3.6Å; W90-W109 AromaticContact CH2-CH2 3.79Å; W90-W109 HydrophobicContact CH2-CH2 3.79Å; W90-W109 AromaticContact CH2-CZ2 3.68Å; W90-W109 HydrophobicContact CH2-CZ2 3.68Å; W90-W109 HydrophobicContact CH2-CZ3 4.42Å; W90-W109 AromaticContact CZ2-CD2 3.64Å; W90-W109 HydrophobicContact CZ2-CD2 3.64Å; W90-W109 AromaticContact CZ2-CE2 3.32Å; W90-W109 AromaticContact CZ2-CE3 3.83Å; W90-W109 HydrophobicContact CZ2-CE3 3.83Å; W90-W109 HydrophobicContact CZ2-CG 4.41Å; W90-W109 AromaticContact CZ2-CH2 3.44Å; W90-W109 HydrophobicContact CZ2-CH2 3.44Å; W90-W109 VanDerWaalsContact CZ2-CH2 3.44Å; W90-W109 AromaticContact CZ2-CZ2 3.24Å; W90-W109 HydrophobicContact CZ2-CZ2 3.24Å; W90-W109 AromaticContact CZ2-CZ3 3.74Å; W90-W109 HydrophobicContact CZ2-CZ3 3.74Å; W90-W109 AromaticContact CZ2-NE1 3.91Å; W90-W109 AromaticContact NE1-CD1 3.24Å; W90-W109 AromaticContact NE1-CD2 3.53Å; W90-W109 AromaticContact NE1-CE2 3.57Å; W90-W109 AromaticContact NE1-CG 3.34Å; W90-W109 VanDerWaalsContact NE1-CG 3.34Å; W90-W109 AromaticContact NE1-NE1 3.35Å; W109-L111 PolarHBondContact O-N 2.89Å; W109-W112 PolarHBondContact O-N 3.13Å; W109-F113 HydrophobicContact CD2-CD2 4.3Å; W109-F113 HydrophobicContact CE3-CB 4.48Å; W109-F113 AromaticContact CE3-CD2 3.43Å; W109-F113 HydrophobicContact CE3-CD2 3.43Å; W109-F113 VanDerWaalsContact CE3-CD2 3.43Å; W109-F113 AromaticContact CE3-CE2 4Å; W109-F113 HydrophobicContact CE3-CE2 4Å; W109-F113 HydrophobicContact CE3-CG 4.17Å; W109-F113 AromaticContact CZ3-CD2 3.8Å; W109-F113 HydrophobicContact CZ3-CD2 3.8Å; W109-F113 AromaticContact CZ3-CE2 3.96Å; W109-F113 HydrophobicContact CZ3-CE2 3.96Å; W109-F113 PolarHBondContact O-N 3.36Å; W109-L115 HydrophobicContact CB-CD2 3.83Å; W109-L118 HydrophobicContact CE3-CD1 3.93Å; W109-L118 HydrophobicContact CZ3-CD1 4.4Å; W109-E126 WeakPolarHBondContact CA-OE1 3.28Å; W109-E126 WeakPolarHBondContact CB-OE1 3.25Å; W109-E126 VanDerWaalsContact N-CD 3.3Å; W109-E126 PolarHBondContact N-OE1 3.46Å; W109-E126 PolarHBondContact N-OE2 3.29Å; W109-M235 HydrophobicContact CZ3-CE 4.21Å
110	K	98	Very high	92	Very high	121 Å²	121	62.3 Å²	62.3	53%	0.526	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-54.8	-25.1	179.9	70.1	-179.1	179.4	180	0	114.5	P108 W112 F113 L115 E126 S238	P108-K110 VanDerWaalsContact C-N 3.31Å; P108-K110 HydrophobicContact CB-CG 4.14Å; P108-K110 HydrophobicContact CG-CG 4.06Å; P108-K110 PolarHBondContact O-N 3.07Å; K110-W112 VanDerWaalsContact C-N 3.29Å; K110-F113 WeakPolarHBondContact CA-O 3.42Å; K110-L115 HydrophobicContact CB-CD1 4.03Å; K110-L115 HydrophobicContact CB-CG 4.11Å; K110-E126 PolarHBondContact N-OE1 3.48Å; K110-S238 WeakPolarHBondContact O-CB 3.06Å
111	L	96.4	Very high	93.1	Very high	93 Å²	93	55.1 Å²	55.1	49%	0.487	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-71.7	-27.7	176.9	-64	179.3	0	0	0	112.1	I107 P108 W109 S238 L241	I107-L111 HydrophobicContact CG2-CD1 3.78Å; P108-L111 HydrophobicContact CG-CD1 4.14Å; P108-L111 HydrophobicContact CG-CG 4.11Å; W109-L111 PolarHBondContact O-N 2.89Å; L111-S238 PolarHBondContact O-OG 2.66Å; L111-L241 WeakPolarHBondContact O-CD1 3.41Å
112	W	96.4	Very high	94.2	Very high	75 Å²	75	49.2 Å²	49.2	28%	0.284	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-33.8	-176.5	-53.9	108.9	0	0	0	113.1	F59 W90 W96 W109 K110 Y237 S238 L241	F59-W112 HydrophobicContact CE2-CD2 4.22Å; F59-W112 HydrophobicContact CE2-CG 4.28Å; F59-W112 HydrophobicContact CZ-CB 4.43Å; F59-W112 HydrophobicContact CZ-CD2 4.44Å; F59-W112 HydrophobicContact CZ-CG 4.34Å; W90-W112 AromaticContact CD1-CD1 3.38Å; W90-W112 AromaticContact CD1-NE1 3.73Å; W90-W112 AromaticContact NE1-CD1 3.53Å; W96-W112 HydrophobicContact CZ3-CZ2 4.42Å; W109-W112 PolarHBondContact O-N 3.13Å; K110-W112 VanDerWaalsContact C-N 3.29Å; W112-Y237 VanDerWaalsContact O-CA 3.3Å; W112-Y237 WeakPolarHBondContact O-CA 3.44Å; W112-S238 PolarHBondContact O-N 3.47Å; W112-L241 HydrophobicContact CE3-CD1 3.66Å; W112-L241 HydrophobicContact CZ3-CD1 4.23Å
113	F	98.5	Very high	95.3	Very high	1 Å²	1	48.8 Å²	48.8	0%	0.004	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-133.3	147.5	-170.7	-61.9	-75.4	0	0	0	112.5	F59 R63 W90 W109 K110 L115 L118 M235 R236 Y237	F59-F113 HydrophobicContact CE1-CZ 4.41Å; F59-F113 HydrophobicContact CZ-CE2 4.17Å; F59-F113 HydrophobicContact CZ-CZ 4.2Å; R63-F113 HydrophobicContact CG-CE2 4.49Å; R63-F113 HydrophobicContact CG-CZ 3.94Å; W90-F113 HydrophobicContact CH2-CE2 4.37Å; W90-F113 HydrophobicContact CZ2-CD2 4.27Å; W90-F113 AromaticContact CZ2-CE2 3.67Å; W90-F113 HydrophobicContact CZ2-CE2 3.67Å; W109-F113 HydrophobicContact CD2-CD2 4.3Å; W109-F113 HydrophobicContact CE3-CB 4.48Å; W109-F113 AromaticContact CE3-CD2 3.43Å; W109-F113 HydrophobicContact CE3-CD2 3.43Å; W109-F113 VanDerWaalsContact CE3-CD2 3.43Å; W109-F113 AromaticContact CE3-CE2 4Å; W109-F113 HydrophobicContact CE3-CE2 4Å; W109-F113 HydrophobicContact CE3-CG 4.17Å; W109-F113 AromaticContact CZ3-CD2 3.8Å; W109-F113 HydrophobicContact CZ3-CD2 3.8Å; W109-F113 AromaticContact CZ3-CE2 3.96Å; W109-F113 HydrophobicContact CZ3-CE2 3.96Å; W109-F113 PolarHBondContact O-N 3.36Å; K110-F113 WeakPolarHBondContact CA-O 3.42Å; F113-L115 PolarHBondContact O-N 3.34Å; F113-L118 HydrophobicContact CB-CD1 4.11Å; F113-M235 HydrophobicContact CD1-CB 4.21Å; F113-M235 HydrophobicContact CE1-CB 4.17Å; F113-M235 HydrophobicContact CE1-CE 4.24Å; F113-M235 HydrophobicContact CZ-CE 4.16Å; F113-R236 CarbonylContact C-O 3.24Å; F113-R236 VanDerWaalsContact CA-O 3.25Å; F113-R236 WeakPolarHBondContact CA-O 3.4Å; F113-Y237 HydrophobicContact CD1-CD1 4.33Å; F113-Y237 AromaticContact CE1-CD1 3.99Å; F113-Y237 HydrophobicContact CE1-CD1 3.99Å; F113-Y237 HydrophobicContact CE1-CE1 4.03Å
114	D	98.3	Very high	96.3	Very high	46 Å²	46	43.5 Å²	43.5	25%	0.246	21%	0.214	C	C	.	.			trans	-74.6	108.7	169.3	173.9	-122.9	0	0	0	110.6	N116 S117 L118 R236	D114-N116 PolarHBondContact O-N 2.92Å; D114-N116 PolarHBondContact OD2-N 3.35Å; D114-S117 WeakPolarHBondContact O-CB 3Å; D114-S117 PolarHBondContact O-N 3.2Å; D114-S117 WeakPolarHBondContact OD1-CA 3.4Å; D114-S117 WeakPolarHBondContact OD1-CB 3.39Å; D114-S117 PolarHBondContact OD1-N 3.07Å; D114-S117 PolarHBondContact OD1-OG 3.44Å; D114-L118 PolarHBondContact O-N 2.95Å; D114-R236 HydrophobicContact CB-CB 4.33Å; D114-R236 PolarHBondContact N-O 3.31Å
115	L	98.2	Very high	96.9	Very high	32 Å²	32	43.3 Å²	43.3	17%	0.168	21%	0.214	C	C	.	.	H	α-helix	trans	-65.2	-26.5	-178.1	-60.8	-171.6	0	0	0	112.8	L87 W109 K110 F113 L118 N119 E126	L87-L115 HydrophobicContact CD1-CD2 3.79Å; W109-L115 HydrophobicContact CB-CD2 3.83Å; K110-L115 HydrophobicContact CB-CD1 4.03Å; K110-L115 HydrophobicContact CB-CG 4.11Å; F113-L115 PolarHBondContact O-N 3.34Å; L115-L118 HydrophobicContact CD2-CD1 3.92Å; L115-L118 PolarHBondContact O-N 3.42Å; L115-N119 WeakPolarHBondContact O-CB 3.46Å; L115-N119 PolarHBondContact O-N 3.01Å; L115-N119 PolarHBondContact O-ND2 2.66Å; L115-E126 HydrophobicContact CD1-CG 3.83Å
116	N	97.8	Very high	97.3	Very high	116 Å²	116	40.4 Å²	40.4	62%	0.62	20%	0.201	S	C	*	.	H	α-helix	trans	-66.9	-42.9	175.9	-70.8	-37.4	0	0	0	110.8	D114 N119 Q120	D114-N116 PolarHBondContact O-N 2.92Å; D114-N116 PolarHBondContact OD2-N 3.35Å; N116-N119 PolarHBondContact O-N 3.34Å; N116-Q120 WeakPolarHBondContact O-CG 3.35Å; N116-Q120 PolarHBondContact O-N 3.41Å
117	S	98.3	Very high	97.5	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.021	19%	0.186	C	C	.	.	H	α-helix	trans	-60.7	-45.2	174.1	-68.2	0	0	0	0	111.9	D114 N119 Q120 S234 R236 W268	D114-S117 WeakPolarHBondContact O-CB 3Å; D114-S117 PolarHBondContact O-N 3.2Å; D114-S117 WeakPolarHBondContact OD1-CA 3.4Å; D114-S117 WeakPolarHBondContact OD1-CB 3.39Å; D114-S117 PolarHBondContact OD1-N 3.07Å; D114-S117 PolarHBondContact OD1-OG 3.44Å; S117-N119 PolarHBondContact O-N 3.3Å; S117-Q120 WeakPolarHBondContact O-CB 3.47Å; S117-Q120 PolarHBondContact O-N 3.4Å; S117-S234 CarbonylContact C-O 3.42Å; S117-S234 WeakPolarHBondContact CB-O 3.45Å; S117-S234 WeakPolarHBondContact O-CB 3.47Å; S117-R236 WeakPolarHBondContact OG-CG 3.36Å; S117-W268 PolarHBondContact O-NE1 3.06Å
118	L	98.6	Very high	97.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-59.9	-45.5	175.3	-62.8	178.4	0	0	0	111.7	Y66 L87 W109 F113 D114 L115 Q120 F121 V122 V124 S234 M235	Y66-L118 HydrophobicContact CE1-CD2 4.07Å; L87-L118 HydrophobicContact CD1-CD1 4.38Å; W109-L118 HydrophobicContact CE3-CD1 3.93Å; W109-L118 HydrophobicContact CZ3-CD1 4.4Å; F113-L118 HydrophobicContact CB-CD1 4.11Å; D114-L118 PolarHBondContact O-N 2.95Å; L115-L118 HydrophobicContact CD2-CD1 3.92Å; L115-L118 PolarHBondContact O-N 3.42Å; L118-Q120 PolarHBondContact O-N 2.93Å; L118-F121 PolarHBondContact O-N 3.2Å; L118-V122 PolarHBondContact O-N 2.89Å; L118-V124 HydrophobicContact CB-CG1 4.37Å; L118-V124 HydrophobicContact CB-CG2 3.77Å; L118-V124 HydrophobicContact CD1-CG2 4.48Å; L118-S234 WeakPolarHBondContact CD2-O 3.03Å; L118-S234 PolarHBondContact N-O 3.11Å; L118-M235 HydrophobicContact CD2-CB 4.24Å; L118-M235 HydrophobicContact CD2-CG 3.8Å
119	N	98.3	Very high	97.3	Very high	67 Å²	67	42.5 Å²	42.5	36%	0.358	21%	0.21	S	C	.	.	H	α-helix	trans	-61	-25.2	-179.4	-92.5	-65.3	0	0	0	113.9	L115 N116 S117 F121 V122 P123 V124	L115-N119 WeakPolarHBondContact O-CB 3.46Å; L115-N119 PolarHBondContact O-N 3.01Å; L115-N119 PolarHBondContact O-ND2 2.66Å; N116-N119 PolarHBondContact O-N 3.34Å; S117-N119 PolarHBondContact O-N 3.3Å; N119-F121 PolarHBondContact O-N 3.28Å; N119-V122 VanDerWaalsContact CA-O 3.31Å; N119-V122 WeakPolarHBondContact CA-O 3.4Å; N119-P123 WeakPolarHBondContact OD1-CA 3.48Å; N119-V124 WeakPolarHBondContact ND2-CG2 3.42Å; N119-V124 PolarHBondContact ND2-O 2.87Å; N119-V124 PolarHBondContact OD1-N 3.32Å; N119-V124 PolarHBondContact OD1-O 3.15Å
120	Q	97.8	Very high	96.9	Very high	62 Å²	62	42.7 Å²	42.7	29%	0.29	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-17.7	175	-69.2	173	56.8	0	0	113.3	N116 S117 L118 D267 W268	N116-Q120 WeakPolarHBondContact O-CG 3.35Å; N116-Q120 PolarHBondContact O-N 3.41Å; S117-Q120 WeakPolarHBondContact O-CB 3.47Å; S117-Q120 PolarHBondContact O-N 3.4Å; L118-Q120 PolarHBondContact O-N 2.93Å; Q120-D267 PolarHBondContact OE1-OD1 2.95Å; Q120-W268 HydrophobicContact CB-CZ2 4.09Å
121	F	98.3	Very high	96.6	Very high	23 Å²	23	37.5 Å²	37.5	10%	0.101	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-54.3	176	-177.2	-103.1	0	0	0	112.2	A70 R74 L118 N119 D230 C231 W268	A70-F121 HydrophobicContact CB-CD1 4.06Å; A70-F121 HydrophobicContact CB-CE1 3.73Å; R74-F121 VanDerWaalsContact NH2-CZ 3.25Å; L118-F121 PolarHBondContact O-N 3.2Å; N119-F121 PolarHBondContact O-N 3.28Å; F121-D230 HydrophobicContact CD2-CB 4.17Å; F121-D230 HydrophobicContact CE2-CB 4Å; F121-C231 HydrophobicContact CD1-CB 4.14Å; F121-C231 HydrophobicContact CD2-CB 4.27Å; F121-C231 HydrophobicContact CE1-CB 3.63Å; F121-C231 WeakPolarHBondContact CE1-SG 3.43Å; F121-C231 HydrophobicContact CE2-CB 3.72Å; F121-C231 HydrophobicContact CG-CB 4.44Å; F121-C231 HydrophobicContact CZ-CB 3.38Å; F121-W268 HydrophobicContact CB-CZ2 4.15Å; F121-W268 HydrophobicContact CD2-CH2 4.42Å
122	V	98.3	Very high	96.1	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.018	20%	0.201	C	C	.	.	S	Bend	trans	-143.4	150.5	172.2	-67.9	0	0	0	0	109.1	A70 V73 R74 L85 L118 N119 V124	A70-V122 HydrophobicContact CB-CG2 4.03Å; V73-V122 HydrophobicContact CB-CG1 4.36Å; V73-V122 HydrophobicContact CG1-CB 4.04Å; V73-V122 HydrophobicContact CG1-CG1 4.17Å; R74-V122 HydrophobicContact CB-CG1 3.72Å; R74-V122 HydrophobicContact CG-CG1 4.44Å; L85-V122 HydrophobicContact CD2-CG2 4.44Å; L118-V122 PolarHBondContact O-N 2.89Å; N119-V122 VanDerWaalsContact CA-O 3.31Å; N119-V122 WeakPolarHBondContact CA-O 3.4Å; V122-V124 HydrophobicContact CG2-CG1 4.01Å; V122-V124 WeakPolarHBondContact O-CG1 3.46Å; V122-V124 PolarHBondContact O-N 2.93Å
123	P	98.1	Very high	95.1	Very high	33 Å²	33	40.2 Å²	40.2	21%	0.214	22%	0.222	C	C	.	.			trans	-63.1	123	175.3	26.2	-33.6	0	0	0	110.1	F83 I84 L85 N119	F83-P123 WeakPolarHBondContact O-CG 3.3Å; I84-P123 HydrophobicContact CG1-CB 4.34Å; I84-P123 HydrophobicContact CG1-CG 4.35Å; I84-P123 HydrophobicContact CG2-CB 4.46Å; L85-P123 PolarHBondContact N-O 3.35Å; N119-P123 WeakPolarHBondContact OD1-CA 3.48Å
124	V	98.5	Very high	94	Very high	5 Å²	5	42.1 Å²	42.1	3%	0.03	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	145.6	178.1	-57	0	0	0	0	110.3	Y66 L85 L87 L118 N119 V122	Y66-V124 HydrophobicContact CE2-CG1 4.49Å; L85-V124 HydrophobicContact CB-CG1 4.16Å; L85-V124 HydrophobicContact CD2-CG1 4.27Å; L85-V124 HydrophobicContact CG-CG1 4.49Å; L85-V124 CarbonylContact O-C 3.56Å; L85-V124 VanDerWaalsContact O-CA 3.29Å; L85-V124 WeakPolarHBondContact O-CA 3.5Å; L87-V124 HydrophobicContact CD1-CB 4.05Å; L87-V124 HydrophobicContact CD1-CG2 4.09Å; L87-V124 HydrophobicContact CD2-CB 4.12Å; L87-V124 HydrophobicContact CD2-CG1 4.15Å; L87-V124 HydrophobicContact CG-CB 4.07Å; L118-V124 HydrophobicContact CB-CG1 4.37Å; L118-V124 HydrophobicContact CB-CG2 3.77Å; L118-V124 HydrophobicContact CD1-CG2 4.48Å; N119-V124 WeakPolarHBondContact ND2-CG2 3.42Å; N119-V124 PolarHBondContact ND2-O 2.87Å; N119-V124 PolarHBondContact OD1-N 3.32Å; N119-V124 PolarHBondContact OD1-O 3.15Å; V122-V124 HydrophobicContact CG2-CG1 4.01Å; V122-V124 WeakPolarHBondContact O-CG1 3.46Å; V122-V124 PolarHBondContact O-N 2.93Å
125	I	97.2	Very high	92.6	Very high	40 Å²	40	47.6 Å²	47.6	21%	0.205	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	149.7	170.6	62	179.8	0	0	0	109.7	Y48 I84 L85 V86 L87 F130	Y48-I125 HydrophobicContact CD1-CD1 3.92Å; Y48-I125 HydrophobicContact CE1-CD1 3.63Å; I84-I125 HydrophobicContact CG2-CB 4.46Å; I84-I125 HydrophobicContact CG2-CD1 4Å; I84-I125 HydrophobicContact CG2-CG1 3.87Å; I84-I125 HydrophobicContact CG2-CG2 3.99Å; L85-I125 PolarHBondContact O-N 3.43Å; V86-I125 WeakPolarHBondContact CA-O 3.42Å; V86-I125 HydrophobicContact CG2-CD1 4.28Å; V86-I125 HydrophobicContact CG2-CG1 4.17Å; L87-I125 PolarHBondContact N-O 3.44Å; I125-F130 HydrophobicContact CD1-CB 3.67Å; I125-F130 HydrophobicContact CD1-CD2 4.07Å; I125-F130 HydrophobicContact CD1-CG 4.32Å; I125-F130 HydrophobicContact CG1-CB 4.24Å
126	E	97.7	Very high	91.4	Very high	5 Å²	5	51.5 Å²	51.5	2%	0.023	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	152.8	172.5	-61.8	-82	-162.4	0	0	110.4	W109 K110 L115 D128 Q129 F130	W109-E126 WeakPolarHBondContact CA-OE1 3.28Å; W109-E126 WeakPolarHBondContact CB-OE1 3.25Å; W109-E126 VanDerWaalsContact N-CD 3.3Å; W109-E126 PolarHBondContact N-OE1 3.46Å; W109-E126 PolarHBondContact N-OE2 3.29Å; K110-E126 PolarHBondContact N-OE1 3.48Å; L115-E126 HydrophobicContact CD1-CG 3.83Å; E126-D128 VanDerWaalsContact C-N 3.33Å; E126-D128 WeakPolarHBondContact CB-OD1 3.47Å; E126-D128 PolarHBondContact O-N 2.94Å; E126-Q129 HydrophobicContact CB-CB 4.45Å; E126-Q129 HydrophobicContact CB-CG 4.15Å; E126-Q129 PolarHBondContact O-N 3.25Å; E126-F130 PolarHBondContact O-N 3.25Å
127	L	94.9	Very high	90.2	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-61.9	-39.6	179.8	-179.9	65.8	0	0	0	112.4	L50 V86 L87 P89 Q129 F130 L131 W170 Y172	L50-L127 HydrophobicContact CD2-CD1 3.99Å; V86-L127 HydrophobicContact CG1-CB 4.09Å; V86-L127 HydrophobicContact CG1-CD1 3.67Å; L87-L127 PolarHBondContact O-N 3.5Å; P89-L127 VanDerWaalsContact CD-CD2 3.47Å; P89-L127 HydrophobicContact CG-CD2 3.88Å; L127-Q129 PolarHBondContact O-N 3.4Å; L127-F130 HydrophobicContact CD1-CD1 3.88Å; L127-F130 HydrophobicContact CD1-CE1 4.44Å; L127-F130 WeakPolarHBondContact O-CB 3.45Å; L127-F130 PolarHBondContact O-N 3.06Å; L127-L131 HydrophobicContact CD1-CD1 4.46Å; L127-L131 HydrophobicContact CD1-CG 4.36Å; L127-L131 HydrophobicContact CG-CD1 4.07Å; L127-L131 HydrophobicContact CG-CG 4.4Å; L127-L131 VanDerWaalsContact O-CG 3.24Å; L127-L131 WeakPolarHBondContact O-CG 3.42Å; L127-L131 PolarHBondContact O-N 3.4Å; L127-W170 HydrophobicContact CD1-CE3 4.46Å; L127-W170 HydrophobicContact CD1-CZ3 4.33Å; L127-W170 HydrophobicContact CD2-CB 4.32Å; L127-W170 HydrophobicContact CD2-CD2 3.94Å; L127-W170 HydrophobicContact CD2-CE3 3.4Å; L127-W170 HydrophobicContact CD2-CG 4.34Å; L127-W170 HydrophobicContact CD2-CZ3 4.07Å; L127-Y172 HydrophobicContact CD2-CD2 3.83Å; L127-Y172 HydrophobicContact CD2-CE2 3.55Å; L127-Y172 HydrophobicContact CG-CE2 4.41Å
128	D	92.3	Very high	89.1	Confident	61 Å²	61	48.7 Å²	48.7	33%	0.326	26%	0.263	S	S	.	.	H	α-helix	trans	-63.8	-41	178.4	66.8	-28.1	0	0	0	112	E126 L131 Q132	E126-D128 VanDerWaalsContact C-N 3.33Å; E126-D128 WeakPolarHBondContact CB-OD1 3.47Å; E126-D128 PolarHBondContact O-N 2.94Å; D128-L131 PolarHBondContact O-N 2.99Å; D128-Q132 WeakPolarHBondContact O-CG 3.47Å; D128-Q132 PolarHBondContact O-N 2.79Å; D128-Q132 VanDerWaalsContact O-N 3.08Å
129	Q	92.6	Very high	88.1	Confident	103 Å²	103	51.3 Å²	51.3	48%	0.481	28%	0.279	S	S	.	.	H	α-helix	trans	-63.4	-42.9	174	-66.9	-178.9	-40.6	0	0	111.7	E126 L127 L131 Q132	E126-Q129 HydrophobicContact CB-CB 4.45Å; E126-Q129 HydrophobicContact CB-CG 4.15Å; E126-Q129 PolarHBondContact O-N 3.25Å; L127-Q129 PolarHBondContact O-N 3.4Å; Q129-L131 VanDerWaalsContact C-N 3.32Å; Q129-L131 PolarHBondContact O-N 3.45Å; Q129-Q132 PolarHBondContact O-N 3.11Å
130	F	91.6	Very high	87.1	Confident	5 Å²	5	48.2 Å²	48.2	2%	0.022	26%	0.262	C	S	.	.	H	α-helix	trans	-59.3	-43.4	174.6	167.2	-109.6	0	0	0	111.9	Y48 L50 V86 I125 E126 L127 Q132 G133 I134 L138 S209	Y48-F130 AromaticContact CD1-CD2 3.64Å; Y48-F130 HydrophobicContact CD1-CD2 3.64Å; Y48-F130 AromaticContact CD1-CE2 3.67Å; Y48-F130 HydrophobicContact CD1-CE2 3.67Å; Y48-F130 HydrophobicContact CD2-CD2 4.3Å; Y48-F130 AromaticContact CD2-CE2 3.6Å; Y48-F130 HydrophobicContact CD2-CE2 3.6Å; Y48-F130 AromaticContact CE1-CD2 3.89Å; Y48-F130 HydrophobicContact CE1-CD2 3.89Å; Y48-F130 HydrophobicContact CE1-CE2 4.17Å; Y48-F130 HydrophobicContact CE2-CD2 4.5Å; Y48-F130 HydrophobicContact CE2-CE2 4.1Å; Y48-F130 AromaticContact CG-CD2 3.86Å; Y48-F130 HydrophobicContact CG-CD2 3.86Å; Y48-F130 AromaticContact CG-CE2 3.35Å; Y48-F130 HydrophobicContact CG-CE2 3.35Å; Y48-F130 HydrophobicContact CG-CZ 4.33Å; L50-F130 HydrophobicContact CD1-CE1 4.46Å; L50-F130 HydrophobicContact CD1-CZ 4.33Å; L50-F130 HydrophobicContact CD2-CE1 3.99Å; V86-F130 HydrophobicContact CG1-CB 3.93Å; V86-F130 HydrophobicContact CG1-CD1 4.01Å; V86-F130 HydrophobicContact CG1-CG 4.04Å; V86-F130 HydrophobicContact CG2-CB 4.27Å; V86-F130 HydrophobicContact CG2-CD1 4.25Å; V86-F130 HydrophobicContact CG2-CD2 3.86Å; V86-F130 HydrophobicContact CG2-CE1 4.5Å; V86-F130 HydrophobicContact CG2-CE2 4.18Å; V86-F130 HydrophobicContact CG2-CG 3.88Å; V86-F130 HydrophobicContact CG2-CZ 4.49Å; I125-F130 HydrophobicContact CD1-CB 3.67Å; I125-F130 HydrophobicContact CD1-CD2 4.07Å; I125-F130 HydrophobicContact CD1-CG 4.32Å; I125-F130 HydrophobicContact CG1-CB 4.24Å; E126-F130 PolarHBondContact O-N 3.25Å; L127-F130 HydrophobicContact CD1-CD1 3.88Å; L127-F130 HydrophobicContact CD1-CE1 4.44Å; L127-F130 WeakPolarHBondContact O-CB 3.45Å; L127-F130 PolarHBondContact O-N 3.06Å; F130-Q132 PolarHBondContact O-N 3.27Å; F130-G133 PolarHBondContact O-N 3.27Å; F130-I134 HydrophobicContact CD1-CD1 4.41Å; F130-I134 HydrophobicContact CD2-CD1 3.56Å; F130-I134 HydrophobicContact CE1-CD1 4.05Å; F130-I134 HydrophobicContact CE2-CD1 3.05Å; F130-I134 HydrophobicContact CE2-CG1 4.45Å; F130-I134 HydrophobicContact CG-CD1 4.23Å; F130-I134 HydrophobicContact CZ-CD1 3.35Å; F130-L138 HydrophobicContact CD1-CD2 4.28Å; F130-L138 HydrophobicContact CE1-CD1 4.29Å; F130-L138 HydrophobicContact CE1-CD2 3.32Å; F130-L138 HydrophobicContact CE1-CG 4.46Å; F130-L138 HydrophobicContact CZ-CD1 4.04Å; F130-L138 HydrophobicContact CZ-CD2 3.89Å; F130-S209 WeakPolarHBondContact CZ-OG 3.5Å
131	L	90.1	Very high	86.3	Confident	13 Å²	13	46.2 Å²	46.2	7%	0.068	25%	0.254	C	S	.	.	H	α-helix	trans	-69.2	-28.1	179.7	-68.2	171.6	0	0	0	113.7	L127 D128 Q129 G133 L138 Y172 I175	L127-L131 HydrophobicContact CD1-CD1 4.46Å; L127-L131 HydrophobicContact CD1-CG 4.36Å; L127-L131 HydrophobicContact CG-CD1 4.07Å; L127-L131 HydrophobicContact CG-CG 4.4Å; L127-L131 VanDerWaalsContact O-CG 3.24Å; L127-L131 WeakPolarHBondContact O-CG 3.42Å; L127-L131 PolarHBondContact O-N 3.4Å; D128-L131 PolarHBondContact O-N 2.99Å; Q129-L131 VanDerWaalsContact C-N 3.32Å; Q129-L131 PolarHBondContact O-N 3.45Å; L131-G133 VanDerWaalsContact C-N 3.28Å; L131-G133 PolarHBondContact O-N 3.03Å; L131-L138 HydrophobicContact CD2-CB 4.37Å; L131-L138 HydrophobicContact CD2-CD2 3.74Å; L131-Y172 HydrophobicContact CD1-CD1 3.47Å; L131-Y172 VanDerWaalsContact CD1-CD1 3.47Å; L131-Y172 HydrophobicContact CD1-CE1 3.5Å; L131-Y172 VanDerWaalsContact CD1-CE1 3.5Å; L131-Y172 HydrophobicContact CD1-CG 4.07Å; L131-I175 HydrophobicContact CD1-CD1 4.19Å; L131-I175 HydrophobicContact CD2-CD1 3.9Å; L131-I175 HydrophobicContact CD2-CG1 4.04Å
132	Q	86.7	Confident	85.5	Confident	155 Å²	155	45.2 Å²	45.2	72%	0.724	25%	0.249	S	C	*	.	H	α-helix	trans	-67.5	-29.1	175.2	-72.7	168.1	30.2	0	0	112.6	D128 Q129 F130	D128-Q132 WeakPolarHBondContact O-CG 3.47Å; D128-Q132 PolarHBondContact O-N 2.79Å; D128-Q132 VanDerWaalsContact O-N 3.08Å; Q129-Q132 PolarHBondContact O-N 3.11Å; F130-Q132 PolarHBondContact O-N 3.27Å
133	G	75	Confident	84.7	Confident	70 Å²	70	45.2 Å²	45.2	72%	0.722	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.8	2.1	-177	0	0	0	0	0	115.1	F130 L131	F130-G133 PolarHBondContact O-N 3.27Å; L131-G133 VanDerWaalsContact C-N 3.28Å; L131-G133 PolarHBondContact O-N 3.03Å
134	I	75.7	Confident	83.8	Confident	40 Å²	40	44.7 Å²	44.7	21%	0.205	25%	0.245	C	C	.	.	S	Bend	trans	-128.2	140.3	-171.9	-63.6	170.9	0	0	0	111	F130 K136 L138	F130-I134 HydrophobicContact CD1-CD1 4.41Å; F130-I134 HydrophobicContact CD2-CD1 3.56Å; F130-I134 HydrophobicContact CE1-CD1 4.05Å; F130-I134 HydrophobicContact CE2-CD1 3.05Å; F130-I134 HydrophobicContact CE2-CG1 4.45Å; F130-I134 HydrophobicContact CG-CD1 4.23Å; F130-I134 HydrophobicContact CZ-CD1 3.35Å; I134-K136 PolarHBondContact O-N 2.95Å; I134-L138 HydrophobicContact CD1-CD1 4Å; I134-L138 HydrophobicContact CG2-CD1 3.84Å
135	L	68.1	Low	83	Confident	162 Å²	162	44.5 Å²	44.5	85%	0.848	24%	0.244	S	C	*	.	P	Polyproline II helix	trans	-64	123.7	169.9	-68.7	172.8	0	0	0	110.1
136	K	73.3	Confident	82.1	Confident	114 Å²	114	45.3 Å²	45.3	50%	0.496	24%	0.244	S	C	.	.	S	Bend	trans	-81.9	147.7	173.2	-66.7	178.7	169.8	-166.5	0	110.4	I134 D174	I134-K136 PolarHBondContact O-N 2.95Å; K136-D174 HydrophobicContact CD-CB 3.96Å; K136-D174 WeakPolarHBondContact CD-OD2 3.37Å; K136-D174 HydrophobicContact CG-CB 4.41Å; K136-D174 IonicContact NZ-OD2 3.39Å; K136-D174 PolarHBondContact NZ-OD2 2.84Å
137	P	72	Confident	80.9	Confident	53 Å²	53	50.9 Å²	50.9	34%	0.344	27%	0.266	S	S	.	.	S	Bend	cis	-75	134.1	1.4	28.2	-31.8	0	0	0	112.5	T139 D174 Y176	P137-T139 PolarHBondContact O-N 3.04Å; P137-D174 WeakPolarHBondContact CA-O 3.39Å; P137-Y176 HydrophobicContact CB-CD2 3.67Å; P137-Y176 HydrophobicContact CB-CE2 3.71Å
138	L	77.2	Confident	79.8	Confident	7 Å²	7	55.7 Å²	55.7	4%	0.037	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	130.3	177.3	170.1	68.2	0	0	0	108.6	F130 L131 I134 V140 D174 I175 Y176	F130-L138 HydrophobicContact CD1-CD2 4.28Å; F130-L138 HydrophobicContact CE1-CD1 4.29Å; F130-L138 HydrophobicContact CE1-CD2 3.32Å; F130-L138 HydrophobicContact CE1-CG 4.46Å; F130-L138 HydrophobicContact CZ-CD1 4.04Å; F130-L138 HydrophobicContact CZ-CD2 3.89Å; L131-L138 HydrophobicContact CD2-CB 4.37Å; L131-L138 HydrophobicContact CD2-CD2 3.74Å; I134-L138 HydrophobicContact CD1-CD1 4Å; I134-L138 HydrophobicContact CG2-CD1 3.84Å; L138-V140 HydrophobicContact CD1-CG1 4.35Å; L138-V140 HydrophobicContact CD2-CG1 3.97Å; L138-V140 HydrophobicContact CG-CG1 4Å; L138-D174 PolarHBondContact N-O 2.88Å; L138-D174 VanDerWaalsContact N-O 3.09Å; L138-I175 HydrophobicContact CD2-CD1 4.44Å; L138-I175 HydrophobicContact CD2-CG1 4.31Å; L138-I175 HydrophobicContact CD2-CG2 4.15Å; L138-Y176 PolarHBondContact O-N 2.84Å
139	T	75.9	Confident	78.5	Confident	55 Å²	55	61.5 Å²	61.5	34%	0.337	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	123	174.9	-28.1	0	0	0	0	111.5	P137 Y176 R178	P137-T139 PolarHBondContact O-N 3.04Å; T139-Y176 VanDerWaalsContact CA-O 3.29Å; T139-Y176 WeakPolarHBondContact CA-O 3.38Å; T139-R178 VanDerWaalsContact CG2-CA 3.43Å; T139-R178 HydrophobicContact CG2-CB 3.3Å; T139-R178 HydrophobicContact CG2-CG 3.98Å; T139-R178 VanDerWaalsContact CG2-N 3.28Å
140	V	78.5	Confident	77.1	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.006	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	153	-179.4	-62.2	0	0	0	0	111.8	L50 L138 V142 F169 Y176 A177 R178 M211	L50-V140 HydrophobicContact CD1-CG1 4.15Å; L138-V140 HydrophobicContact CD1-CG1 4.35Å; L138-V140 HydrophobicContact CD2-CG1 3.97Å; L138-V140 HydrophobicContact CG-CG1 4Å; V140-V142 HydrophobicContact CG2-CG2 3.9Å; V140-F169 HydrophobicContact CG2-CE1 4Å; V140-F169 HydrophobicContact CG2-CZ 4.28Å; V140-Y176 PolarHBondContact N-O 3.41Å; V140-A177 HydrophobicContact CG2-CB 4.38Å; V140-A177 CarbonylContact O-C 3.49Å; V140-A177 WeakPolarHBondContact O-CA 3.49Å; V140-R178 PolarHBondContact O-N 3.4Å; V140-M211 HydrophobicContact CG2-CB 4.44Å
141	N	81.2	Confident	76	Confident	20 Å²	20	67.8 Å²	67.8	11%	0.107	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	118.7	166.9	-72.7	-22	0	0	0	108.9	N179 A199 S209 V210 M211	N141-N179 WeakPolarHBondContact OD1-CB 3.31Å; N141-N179 PolarHBondContact OD1-ND2 3.2Å; N141-A199 PolarHBondContact ND2-O 3.33Å; N141-S209 PolarHBondContact N-O 2.94Å; N141-V210 CarbonylContact O-C 3.59Å; N141-V210 WeakPolarHBondContact O-CA 3Å; N141-M211 PolarHBondContact O-N 3.29Å
142	V	81.2	Confident	75	Confident	2 Å²	2	69.3 Å²	69.3	1%	0.012	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	131.5	-178	177.2	0	0	0	0	110.2	V140 I144 Y158 F169 A177 N179 F180 S181 M211 D213	V140-V142 HydrophobicContact CG2-CG2 3.9Å; V142-I144 HydrophobicContact CG1-CG1 4.33Å; V142-Y158 HydrophobicContact CG1-CE1 4.01Å; V142-Y158 HydrophobicContact CG2-CE1 4.25Å; V142-F169 HydrophobicContact CG2-CE1 4.28Å; V142-F169 HydrophobicContact CG2-CZ 4.39Å; V142-A177 HydrophobicContact CB-CB 4.25Å; V142-A177 HydrophobicContact CG2-CB 3.54Å; V142-N179 PolarHBondContact N-O 2.7Å; V142-F180 HydrophobicContact CB-CD2 4.1Å; V142-F180 HydrophobicContact CG1-CD2 3.94Å; V142-F180 HydrophobicContact CG1-CE2 4.21Å; V142-F180 WeakPolarHBondContact O-CA 3.44Å; V142-S181 PolarHBondContact O-N 2.95Å; V142-M211 WeakPolarHBondContact CA-O 3.46Å; V142-M211 HydrophobicContact CG2-CB 4.13Å; V142-M211 HydrophobicContact CG2-SD 4.37Å; V142-D213 HydrophobicContact CG1-CB 4.4Å
143	T	81.8	Confident	73.5	Confident	4 Å²	4	66.9 Å²	66.9	3%	0.025	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	116.6	167.8	-57	0	0	0	0	109.4	S181 V183 L195 M211 I212 D213	T143-S181 CarbonylContact C-O 3.58Å; T143-S181 WeakPolarHBondContact CA-O 3.38Å; T143-V183 HydrophobicContact CG2-CB 4.11Å; T143-V183 HydrophobicContact CG2-CG2 3.83Å; T143-L195 HydrophobicContact CG2-CD1 4.02Å; T143-L195 HydrophobicContact CG2-CD2 3.93Å; T143-L195 HydrophobicContact CG2-CG 4.15Å; T143-M211 PolarHBondContact N-O 3.22Å; T143-I212 WeakPolarHBondContact O-CA 3.38Å; T143-D213 PolarHBondContact O-N 3.12Å
144	I	79	Confident	72.6	Confident	22 Å²	22	70.7 Å²	70.7	11%	0.113	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	124.1	173.1	-56	-160.8	0	0	0	109.8	V142 R146 Y158 F180 S181 C182 V183 D213 R214	V142-I144 HydrophobicContact CG1-CG1 4.33Å; I144-R146 HydrophobicContact CG2-CG 4.18Å; I144-Y158 HydrophobicContact CD1-CD2 4.02Å; I144-Y158 HydrophobicContact CD1-CE2 3.66Å; I144-Y158 HydrophobicContact CG1-CE2 4.39Å; I144-F180 HydrophobicContact CD1-CE2 3.35Å; I144-F180 HydrophobicContact CD1-CZ 3.4Å; I144-F180 HydrophobicContact CG1-CD2 4.47Å; I144-F180 HydrophobicContact CG1-CE2 3.41Å; I144-F180 VanDerWaalsContact CG1-CE2 3.41Å; I144-F180 HydrophobicContact CG1-CZ 3.71Å; I144-S181 PolarHBondContact N-O 3.43Å; I144-C182 HydrophobicContact CB-CB 4.35Å; I144-C182 WeakPolarHBondContact O-CA 3.28Å; I144-V183 PolarHBondContact O-N 3.46Å; I144-D213 HydrophobicContact CG1-CB 4.06Å; I144-R214 HydrophobicContact CG2-CB 4.3Å; I144-R214 HydrophobicContact CG2-CG 3.69Å
145	M	80.8	Confident	72	Confident	1 Å²	1	72.5 Å²	72.5	1%	0.005	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	140.8	170.4	-67.6	-178.8	-175.1	0	0	112.4	V183 F185 A192 L195 I212 D213 R214 V217 M218	M145-V183 CarbonylContact C-O 3.38Å; M145-V183 WeakPolarHBondContact CA-O 3.38Å; M145-F185 HydrophobicContact CB-CB 4.03Å; M145-F185 HydrophobicContact CE-CD2 4.42Å; M145-F185 HydrophobicContact CE-CE2 4.49Å; M145-F185 HydrophobicContact CG-CB 3.97Å; M145-F185 HydrophobicContact CG-CG 4.17Å; M145-F185 HydrophobicContact SD-CB 4.38Å; M145-F185 HydrophobicContact SD-CD1 3.93Å; M145-F185 HydrophobicContact SD-CD2 4.44Å; M145-F185 HydrophobicContact SD-CE1 4.33Å; M145-F185 HydrophobicContact SD-CG 3.98Å; M145-A192 HydrophobicContact CE-CB 3.96Å; M145-L195 HydrophobicContact CE-CD2 3.7Å; M145-L195 HydrophobicContact CG-CD2 4.49Å; M145-I212 HydrophobicContact CE-CB 4.43Å; M145-I212 HydrophobicContact CE-CD1 3.83Å; M145-I212 HydrophobicContact CE-CG1 4.26Å; M145-I212 HydrophobicContact CE-CG2 3.35Å; M145-I212 HydrophobicContact CG-CG2 4.09Å; M145-I212 HydrophobicContact SD-CG2 3.79Å; M145-D213 PolarHBondContact N-O 3.07Å; M145-D213 VanDerWaalsContact N-O 3.07Å; M145-R214 VanDerWaalsContact O-CB 3.31Å; M145-R214 WeakPolarHBondContact O-CB 3.32Å; M145-V217 HydrophobicContact CB-CB 3.93Å; M145-V217 HydrophobicContact CB-CG1 4.17Å; M145-V217 HydrophobicContact CB-CG2 4.27Å; M145-M218 HydrophobicContact CE-CE 3.49Å; M145-M218 VanDerWaalsContact CE-CE 3.49Å; M145-M218 HydrophobicContact SD-CB 4.27Å; M145-M218 HydrophobicContact SD-CE 3.92Å
146	R	78.4	Confident	71.9	Confident	56 Å²	56	73.8 Å²	73.8	21%	0.211	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	143	176.7	-57.2	-178	72.9	-171.7	6.4	111.2	I144 E148 R150 S151 V183 S184 F185	I144-R146 HydrophobicContact CG2-CG 4.18Å; R146-E148 VanDerWaalsContact C-N 3.34Å; R146-E148 PolarHBondContact O-N 2.88Å; R146-R150 PolarHBondContact NH1-O 2.9Å; R146-R150 VanDerWaalsContact NH1-O 3.07Å; R146-S151 PolarHBondContact NH1-O 2.84Å; R146-V183 PolarHBondContact N-O 2.94Å; R146-S184 CarbonylContact O-C 3.58Å; R146-S184 VanDerWaalsContact O-CA 3.24Å; R146-S184 WeakPolarHBondContact O-CA 3.46Å; R146-F185 PolarHBondContact O-N 2.73Å
147	Y	73.8	Confident	72.3	Confident	122 Å²	122	75 Å²	75	48%	0.478	35%	0.354	S	S	.	.	S	Bend	trans	-66.8	-31.4	176.4	-80	-78.6	0	0	0	114.2	Q186 V217	Y147-Q186 PolarHBondContact O-NE2 2.95Å; Y147-V217 HydrophobicContact CD1-CG1 4.15Å; Y147-V217 HydrophobicContact CD2-CB 4.38Å; Y147-V217 HydrophobicContact CD2-CG1 3.93Å; Y147-V217 HydrophobicContact CD2-CG2 3.91Å; Y147-V217 HydrophobicContact CE1-CG1 4.11Å; Y147-V217 HydrophobicContact CE2-CB 4.01Å; Y147-V217 HydrophobicContact CE2-CG1 3.88Å; Y147-V217 HydrophobicContact CE2-CG2 3.75Å; Y147-V217 HydrophobicContact CG-CG1 4.07Å; Y147-V217 PolarHBondContact OH-O 2.68Å
148	E	71.8	Confident	73	Confident	103 Å²	103	72.9 Å²	72.9	48%	0.481	34%	0.339	S	S	.	.	S	Bend	trans	-108	150.1	-173.1	-68.9	-173.8	-178	0	0	113.4	R146 R150 S184	R146-E148 VanDerWaalsContact C-N 3.34Å; R146-E148 PolarHBondContact O-N 2.88Å; E148-R150 VanDerWaalsContact C-N 3.25Å; E148-R150 HydrophobicContact CB-CG 4.26Å; E148-R150 PolarHBondContact O-N 3.11Å; E148-R150 IonicContact OE1-NH2 3.89Å; E148-R150 IonicContact OE2-CZ 3.1Å; E148-R150 IonicContact OE2-NE 3.23Å; E148-R150 PolarHBondContact OE2-NE 3.45Å; E148-R150 IonicContact OE2-NH2 3.51Å; E148-R150 PolarHBondContact OE2-NH2 3.34Å; E148-S184 WeakPolarHBondContact O-CB 3.47Å; E148-S184 PolarHBondContact O-OG 3.15Å
149	H	64.5	Low	73.4	Confident	184 Å²	184	78.8 Å²	78.8	85%	0.852	37%	0.367	S	S	*	.			trans	-74.8	74.5	170.6	-158.7	67.6	0	0	0	111.4	S184	H149-S184 WeakPolarHBondContact CA-OG 3.45Å
150	R	62.9	Low	73.9	Confident	137 Å²	137	82.7 Å²	82.7	52%	0.517	38%	0.381	S	S	.	.			trans	-123.8	141.4	172.2	-61.2	-167.2	-166.8	-164.9	7.2	109.8	R146 E148	R146-R150 PolarHBondContact NH1-O 2.9Å; R146-R150 VanDerWaalsContact NH1-O 3.07Å; E148-R150 VanDerWaalsContact C-N 3.25Å; E148-R150 HydrophobicContact CB-CG 4.26Å; E148-R150 PolarHBondContact O-N 3.11Å; E148-R150 IonicContact OE1-NH2 3.89Å; E148-R150 IonicContact OE2-CZ 3.1Å; E148-R150 IonicContact OE2-NE 3.23Å; E148-R150 PolarHBondContact OE2-NE 3.45Å; E148-R150 IonicContact OE2-NH2 3.51Å; E148-R150 PolarHBondContact OE2-NH2 3.34Å
151	S	69.3	Low	74.3	Confident	102 Å²	102	84.6 Å²	84.6	71%	0.713	39%	0.393	S	S	*	.			trans	-46.6	143.4	163.3	36.7	0	0	0	0	109.6	R146 L153	R146-S151 PolarHBondContact NH1-O 2.84Å; S151-L153 PolarHBondContact O-N 3.37Å
152	C	68.4	Low	74.6	Confident	45 Å²	45	90.1 Å²	90.1	30%	0.304	43%	0.43	S	S	.	.			trans	-47	107.7	174.2	-67.2	0	0	0	0	107.2	Q154 C182	C152-Q154 PolarHBondContact O-N 2.77Å; C152-C182 HydrophobicContact CB-CB 4.19Å; C152-C182 WeakPolarHBondContact CB-SG 3.42Å; C152-C182 WeakPolarHBondContact SG-CB 3.29Å; C152-C182 CovalentContact SG-SG 2.02Å; C152-C182 PolarHBondContact SG-SG 3.07Å
153	L	55.6	Low	74.7	Confident	104 Å²	104	93.4 Å²	93.4	55%	0.545	46%	0.464	S	S	.	.			trans	-65.4	141.1	172.5	-69.8	171.5	0	0	0	105.4	S151 H155	S151-L153 PolarHBondContact O-N 3.37Å; L153-H155 PolarHBondContact O-N 2.83Å
154	Q	56.1	Low	75	Confident	151 Å²	151	97.8 Å²	97.8	71%	0.706	48%	0.48	S	S	*	.			trans	-18.3	120.7	178.7	-148.4	170.2	4.6	0	0	112.2	C152 Y156	C152-Q154 PolarHBondContact O-N 2.77Å; Q154-Y156 HydrophobicContact CB-CE2 4.29Å; Q154-Y156 WeakPolarHBondContact O-CD2 3.44Å; Q154-Y156 PolarHBondContact O-N 2.9Å
155	H	63.3	Low	75.5	Confident	77 Å²	77	98.4 Å²	98.4	36%	0.356	48%	0.481	S	S	.	.			trans	-61.3	64.1	-167.4	-48.2	108.4	0	0	0	114	L153 Y157 Y158 W165 F180	L153-H155 PolarHBondContact O-N 2.83Å; H155-Y157 PolarHBondContact O-N 2.77Å; H155-Y158 WeakPolarHBondContact CB-O 3.25Å; H155-Y158 PolarHBondContact O-N 3.03Å; H155-Y158 VanDerWaalsContact O-O 3.1Å; H155-W165 AromaticContact CE1-CH2 3.63Å; H155-W165 AromaticContact CE1-CZ3 3.68Å; H155-W165 AromaticContact CG-CZ3 3.93Å; H155-W165 AromaticContact ND1-CZ3 3.68Å; H155-W165 AromaticContact NE2-CH2 3.96Å; H155-W165 AromaticContact NE2-CZ3 3.95Å; H155-F180 AromaticContact CD2-CE1 3.51Å; H155-F180 AromaticContact NE2-CE1 3.72Å
156	Y	65.2	Low	75.9	Confident	189 Å²	189	101.9 Å²	101.9	74%	0.741	50%	0.496	S	S	*	.	S	Bend	trans	-55.5	-21.3	-171.2	-80.2	-75.6	0	0	0	113.8	Q154	Q154-Y156 HydrophobicContact CB-CE2 4.29Å; Q154-Y156 WeakPolarHBondContact O-CD2 3.44Å; Q154-Y156 PolarHBondContact O-N 2.9Å
157	Y	81	Confident	76.5	Confident	141 Å²	141	100.5 Å²	100.5	55%	0.553	49%	0.492	S	S	*	.	S	Bend	trans	-109.2	-26.3	177.8	-52.5	-66.4	0	0	0	114.3	H155 F167	H155-Y157 PolarHBondContact O-N 2.77Å; Y157-F167 HydrophobicContact CG-CE2 4.42Å; Y157-F167 WeakPolarHBondContact O-CD2 3.45Å
158	Y	87	Confident	77.2	Confident	7 Å²	7	100 Å²	100	3%	0.027	49%	0.489	C	S	.	.			trans	-105.7	112.9	-174.8	-71	-98.4	0	0	0	109.8	V142 I144 H155 W165 K166 F167 F169 F180 D213	V142-Y158 HydrophobicContact CG1-CE1 4.01Å; V142-Y158 HydrophobicContact CG2-CE1 4.25Å; I144-Y158 HydrophobicContact CD1-CD2 4.02Å; I144-Y158 HydrophobicContact CD1-CE2 3.66Å; I144-Y158 HydrophobicContact CG1-CE2 4.39Å; H155-Y158 WeakPolarHBondContact CB-O 3.25Å; H155-Y158 PolarHBondContact O-N 3.03Å; H155-Y158 VanDerWaalsContact O-O 3.1Å; Y158-W165 HydrophobicContact CD1-CB 4.49Å; Y158-K166 CarbonylContact C-O 3.56Å; Y158-K166 VanDerWaalsContact CA-O 3.3Å; Y158-K166 WeakPolarHBondContact CA-O 3.38Å; Y158-F167 HydrophobicContact CD1-CB 3.54Å; Y158-F167 HydrophobicContact CD1-CG 4.14Å; Y158-F167 HydrophobicContact CD2-CD2 4.31Å; Y158-F167 HydrophobicContact CE1-CB 3.42Å; Y158-F167 VanDerWaalsContact CE1-CB 3.42Å; Y158-F167 AromaticContact CE1-CD1 3.97Å; Y158-F167 HydrophobicContact CE1-CD1 3.97Å; Y158-F167 HydrophobicContact CE1-CD2 4.38Å; Y158-F167 AromaticContact CE1-CG 3.66Å; Y158-F167 HydrophobicContact CE1-CG 3.66Å; Y158-F167 HydrophobicContact CE2-CB 4.5Å; Y158-F167 HydrophobicContact CE2-CD1 4.49Å; Y158-F167 AromaticContact CE2-CD2 4Å; Y158-F167 HydrophobicContact CE2-CD2 4Å; Y158-F167 HydrophobicContact CE2-CE2 4.39Å; Y158-F167 HydrophobicContact CE2-CG 4.06Å; Y158-F167 HydrophobicContact CG-CB 4.14Å; Y158-F167 AromaticContact CZ-CD1 3.76Å; Y158-F167 AromaticContact CZ-CG 3.61Å; Y158-F169 HydrophobicContact CE1-CZ 4.29Å; Y158-F180 HydrophobicContact CD1-CD2 4.05Å; Y158-F180 HydrophobicContact CD1-CE2 4.1Å; Y158-F180 AromaticContact CD2-CE2 3.82Å; Y158-F180 HydrophobicContact CD2-CE2 3.82Å; Y158-F180 HydrophobicContact CD2-CZ 4.41Å; Y158-F180 HydrophobicContact CE1-CD2 4.3Å; Y158-F180 HydrophobicContact CE1-CE2 4.31Å; Y158-F180 HydrophobicContact CE2-CE2 4.05Å; Y158-F180 HydrophobicContact CG-CD2 4.2Å; Y158-F180 AromaticContact CG-CE2 3.86Å; Y158-F180 HydrophobicContact CG-CE2 3.86Å; Y158-D213 VanDerWaalsContact CE2-OD2 3.29Å; Y158-D213 WeakPolarHBondContact CE2-OD2 3.43Å; Y158-D213 PolarHBondContact OH-OD2 3.49Å
159	E	86.7	Confident	78.1	Confident	131 Å²	131	95 Å²	95	61%	0.612	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90	125.1	176.9	-171.9	-179.2	175.9	0	0	109.7	T161 W165 K166	E159-T161 PolarHBondContact O-N 2.85Å; E159-W165 CarbonylContact O-C 3.46Å; E159-W165 WeakPolarHBondContact O-CA 3.48Å; E159-K166 HydrophobicContact CB-CB 4.44Å; E159-K166 PolarHBondContact N-O 2.82Å; E159-K166 PolarHBondContact O-N 2.95Å
160	E	86.2	Confident	79.4	Confident	138 Å²	138	86.8 Å²	86.8	65%	0.645	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.4	126.1	173.1	-165.6	173.1	178.7	0	0	109.7	W165	E160-W165 HydrophobicContact CB-CD2 4.43Å; E160-W165 HydrophobicContact CB-CE3 3.9Å; E160-W165 HydrophobicContact CB-CH2 3.79Å; E160-W165 HydrophobicContact CB-CZ2 4.32Å; E160-W165 HydrophobicContact CB-CZ3 3.57Å; E160-W165 HydrophobicContact CG-CD2 4.39Å; E160-W165 HydrophobicContact CG-CE3 4.32Å; E160-W165 HydrophobicContact CG-CH2 3.78Å; E160-W165 HydrophobicContact CG-CZ2 3.85Å; E160-W165 HydrophobicContact CG-CZ3 4.04Å
161	T	85.8	Confident	80.7	Confident	40 Å²	40	80.8 Å²	80.8	25%	0.245	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	163.4	173.3	62.2	0	0	0	0	108.4	E159 G163 R164 K166	E159-T161 PolarHBondContact O-N 2.85Å; T161-G163 PolarHBondContact O-N 3.01Å; T161-R164 CarbonylContact C-O 3.5Å; T161-R164 WeakPolarHBondContact CA-O 3.3Å; T161-R164 PolarHBondContact N-O 3.31Å; T161-R164 PolarHBondContact O-N 3.4Å; T161-R164 WeakPolarHBondContact OG1-CB 3.49Å; T161-R164 PolarHBondContact OG1-O 3.47Å; T161-K166 HydrophobicContact CG2-CB 4.4Å
162	P	87.5	Confident	81.7	Confident	137 Å²	137	78.1 Å²	78.1	89%	0.89	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	104	-176.9	-28.8	36.4	0	0	0	113.5	R164	P162-R164 VanDerWaalsContact C-N 3.32Å; P162-R164 PolarHBondContact O-N 3.36Å
163	G	83.5	Confident	82.6	Confident	70 Å²	70	80.9 Å²	80.9	72%	0.722	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	11.7	179.6	0	0	0	0	0	116.2	T161	T161-G163 PolarHBondContact O-N 3.01Å
164	R	88.5	Confident	84.1	Confident	97 Å²	97	79.3 Å²	79.3	37%	0.366	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	163.4	-176.5	-63.7	-176.8	-175.7	165.7	2.5	112	T161 P162 Y176 A177	T161-R164 CarbonylContact C-O 3.5Å; T161-R164 WeakPolarHBondContact CA-O 3.3Å; T161-R164 PolarHBondContact N-O 3.31Å; T161-R164 PolarHBondContact O-N 3.4Å; T161-R164 WeakPolarHBondContact OG1-CB 3.49Å; T161-R164 PolarHBondContact OG1-O 3.47Å; P162-R164 VanDerWaalsContact C-N 3.32Å; P162-R164 PolarHBondContact O-N 3.36Å; R164-Y176 HydrophobicContact CB-CD1 4.5Å; R164-A177 CarbonylContact C-O 3.56Å; R164-A177 WeakPolarHBondContact CA-O 3.34Å
165	W	88.9	Confident	85.8	Confident	35 Å²	35	72.2 Å²	72.2	13%	0.133	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	131.4	173	-56.9	76.3	0	0	0	110.7	H155 Y158 E159 E160 Y176 A177 F180	H155-W165 AromaticContact CE1-CH2 3.63Å; H155-W165 AromaticContact CE1-CZ3 3.68Å; H155-W165 AromaticContact CG-CZ3 3.93Å; H155-W165 AromaticContact ND1-CZ3 3.68Å; H155-W165 AromaticContact NE2-CH2 3.96Å; H155-W165 AromaticContact NE2-CZ3 3.95Å; Y158-W165 HydrophobicContact CD1-CB 4.49Å; E159-W165 CarbonylContact O-C 3.46Å; E159-W165 WeakPolarHBondContact O-CA 3.48Å; E160-W165 HydrophobicContact CB-CD2 4.43Å; E160-W165 HydrophobicContact CB-CE3 3.9Å; E160-W165 HydrophobicContact CB-CH2 3.79Å; E160-W165 HydrophobicContact CB-CZ2 4.32Å; E160-W165 HydrophobicContact CB-CZ3 3.57Å; E160-W165 HydrophobicContact CG-CD2 4.39Å; E160-W165 HydrophobicContact CG-CE3 4.32Å; E160-W165 HydrophobicContact CG-CH2 3.78Å; E160-W165 HydrophobicContact CG-CZ2 3.85Å; E160-W165 HydrophobicContact CG-CZ3 4.04Å; W165-Y176 WeakPolarHBondContact O-CA 3.33Å; W165-A177 HydrophobicContact CB-CB 3.93Å; W165-A177 PolarHBondContact N-O 2.71Å; W165-A177 PolarHBondContact O-N 3.27Å; W165-F180 HydrophobicContact CD2-CB 4.11Å; W165-F180 HydrophobicContact CG-CB 4.1Å
166	K	90.1	Very high	87.1	Confident	73 Å²	73	71 Å²	71	32%	0.317	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	141	172.6	-164.6	176.7	-176.2	-179.7	0	109.5	Y158 E159 T161 D173	Y158-K166 CarbonylContact C-O 3.56Å; Y158-K166 VanDerWaalsContact CA-O 3.3Å; Y158-K166 WeakPolarHBondContact CA-O 3.38Å; E159-K166 HydrophobicContact CB-CB 4.44Å; E159-K166 PolarHBondContact N-O 2.82Å; E159-K166 PolarHBondContact O-N 2.95Å; T161-K166 HydrophobicContact CG2-CB 4.4Å; K166-D173 IonicContact NZ-OD1 2.98Å; K166-D173 PolarHBondContact NZ-OD1 2.91Å
167	F	89.7	Confident	88.2	Confident	27 Å²	27	62 Å²	62	12%	0.118	31%	0.311	C	S	.	.			trans	-146.7	174.8	172.8	168	-118.5	0	0	0	107.8	Y157 Y158 F169 M211	Y157-F167 HydrophobicContact CG-CE2 4.42Å; Y157-F167 WeakPolarHBondContact O-CD2 3.45Å; Y158-F167 HydrophobicContact CD1-CB 3.54Å; Y158-F167 HydrophobicContact CD1-CG 4.14Å; Y158-F167 HydrophobicContact CD2-CD2 4.31Å; Y158-F167 HydrophobicContact CE1-CB 3.42Å; Y158-F167 VanDerWaalsContact CE1-CB 3.42Å; Y158-F167 AromaticContact CE1-CD1 3.97Å; Y158-F167 HydrophobicContact CE1-CD1 3.97Å; Y158-F167 HydrophobicContact CE1-CD2 4.38Å; Y158-F167 AromaticContact CE1-CG 3.66Å; Y158-F167 HydrophobicContact CE1-CG 3.66Å; Y158-F167 HydrophobicContact CE2-CB 4.5Å; Y158-F167 HydrophobicContact CE2-CD1 4.49Å; Y158-F167 AromaticContact CE2-CD2 4Å; Y158-F167 HydrophobicContact CE2-CD2 4Å; Y158-F167 HydrophobicContact CE2-CE2 4.39Å; Y158-F167 HydrophobicContact CE2-CG 4.06Å; Y158-F167 HydrophobicContact CG-CB 4.14Å; Y158-F167 AromaticContact CZ-CD1 3.76Å; Y158-F167 AromaticContact CZ-CG 3.61Å; F167-F169 VanDerWaalsContact C-N 3.27Å; F167-F169 HydrophobicContact CB-CD2 3.87Å; F167-F169 HydrophobicContact CB-CE1 4.47Å; F167-F169 HydrophobicContact CB-CE2 3.66Å; F167-F169 HydrophobicContact CB-CG 4.37Å; F167-F169 HydrophobicContact CB-CZ 3.98Å; F167-F169 AromaticContact CD1-CD1 3.92Å; F167-F169 HydrophobicContact CD1-CD1 3.92Å; F167-F169 HydrophobicContact CD1-CD2 4.43Å; F167-F169 HydrophobicContact CD1-CE1 4.11Å; F167-F169 HydrophobicContact CD1-CG 4.08Å; F167-F169 HydrophobicContact CD1-CZ 4.45Å; F167-F169 WeakPolarHBondContact O-CD2 3.42Å; F167-F169 PolarHBondContact O-N 2.94Å; F167-M211 HydrophobicContact CE1-CE 4.19Å
168	W	88.8	Confident	88.3	Confident	111 Å²	111	63 Å²	63	42%	0.42	31%	0.314	S	S	.	.			trans	-52.7	-42	175.5	171.2	-120	0	0	0	113.1	A92 F103 E105 W170 G171	A92-W168 HydrophobicContact CB-CZ2 3.59Å; F103-W168 HydrophobicContact CE1-CH2 4.49Å; F103-W168 HydrophobicContact CZ-CH2 4.28Å; E105-W168 WeakPolarHBondContact OE2-CH2 3.44Å; W168-W170 PolarHBondContact O-N 2.93Å; W168-G171 VanDerWaalsContact CE2-N 3.28Å; W168-G171 VanDerWaalsContact CH2-CA 3.43Å; W168-G171 WeakPolarHBondContact O-CA 3.43Å; W168-G171 PolarHBondContact O-N 2.88Å
169	F	91.7	Very high	88.1	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	39.3	49.3	-179.9	-66.2	-63.5	0	0	0	113.8	V140 V142 Y158 F167 G171 Y172 I175 A177 M211	V140-F169 HydrophobicContact CG2-CE1 4Å; V140-F169 HydrophobicContact CG2-CZ 4.28Å; V142-F169 HydrophobicContact CG2-CE1 4.28Å; V142-F169 HydrophobicContact CG2-CZ 4.39Å; Y158-F169 HydrophobicContact CE1-CZ 4.29Å; F167-F169 VanDerWaalsContact C-N 3.27Å; F167-F169 HydrophobicContact CB-CD2 3.87Å; F167-F169 HydrophobicContact CB-CE1 4.47Å; F167-F169 HydrophobicContact CB-CE2 3.66Å; F167-F169 HydrophobicContact CB-CG 4.37Å; F167-F169 HydrophobicContact CB-CZ 3.98Å; F167-F169 AromaticContact CD1-CD1 3.92Å; F167-F169 HydrophobicContact CD1-CD1 3.92Å; F167-F169 HydrophobicContact CD1-CD2 4.43Å; F167-F169 HydrophobicContact CD1-CE1 4.11Å; F167-F169 HydrophobicContact CD1-CG 4.08Å; F167-F169 HydrophobicContact CD1-CZ 4.45Å; F167-F169 WeakPolarHBondContact O-CD2 3.42Å; F167-F169 PolarHBondContact O-N 2.94Å; F169-G171 PolarHBondContact O-N 2.85Å; F169-Y172 WeakPolarHBondContact O-CD2 3.34Å; F169-Y172 PolarHBondContact O-N 2.96Å; F169-Y172 VanDerWaalsContact O-N 3.11Å; F169-I175 HydrophobicContact CB-CB 3.87Å; F169-I175 HydrophobicContact CB-CD1 4.32Å; F169-I175 HydrophobicContact CB-CG2 4.03Å; F169-I175 HydrophobicContact CD1-CB 4.47Å; F169-I175 HydrophobicContact CD1-CG2 3.71Å; F169-I175 HydrophobicContact CD2-CB 4.07Å; F169-I175 HydrophobicContact CD2-CG2 3.97Å; F169-I175 WeakPolarHBondContact CD2-O 3.42Å; F169-I175 HydrophobicContact CE1-CG2 4.1Å; F169-I175 HydrophobicContact CE2-CG2 4.33Å; F169-I175 WeakPolarHBondContact CE2-O 3.36Å; F169-I175 HydrophobicContact CG-CB 3.91Å; F169-I175 HydrophobicContact CG-CG2 3.65Å; F169-I175 HydrophobicContact CZ-CG2 4.4Å; F169-A177 HydrophobicContact CZ-CB 4.2Å; F169-M211 HydrophobicContact CD1-CE 4.43Å; F169-M211 HydrophobicContact CD1-SD 3.86Å; F169-M211 HydrophobicContact CE1-SD 3.64Å
170	W	92	Very high	88	Confident	11 Å²	11	62.3 Å²	62.3	4%	0.042	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	56.6	26.3	-177.9	-48.2	-78.4	0	0	0	115.7	L50 Y51 E52 P88 P89 K106 L127 W168 Y172 M211	L50-W170 HydrophobicContact CB-CH2 4.15Å; L50-W170 HydrophobicContact CD2-CH2 4.1Å; L50-W170 HydrophobicContact CD2-CZ3 3.97Å; Y51-W170 VanDerWaalsContact O-CZ2 3.24Å; Y51-W170 WeakPolarHBondContact O-CZ2 3.38Å; E52-W170 HydrophobicContact CB-CZ2 4.18Å; E52-W170 VanDerWaalsContact OE2-CD1 3.26Å; E52-W170 PolarHBondContact OE2-NE1 3.32Å; P88-W170 HydrophobicContact CB-CZ2 3.76Å; P88-W170 VanDerWaalsContact CB-NE1 3.34Å; P89-W170 HydrophobicContact CG-CB 3.48Å; P89-W170 VanDerWaalsContact CG-CB 3.48Å; P89-W170 HydrophobicContact CG-CD2 4.43Å; P89-W170 HydrophobicContact CG-CG 3.66Å; K106-W170 WeakPolarHBondContact CG-O 3.37Å; L127-W170 HydrophobicContact CD1-CE3 4.46Å; L127-W170 HydrophobicContact CD1-CZ3 4.33Å; L127-W170 HydrophobicContact CD2-CB 4.32Å; L127-W170 HydrophobicContact CD2-CD2 3.94Å; L127-W170 HydrophobicContact CD2-CE3 3.4Å; L127-W170 HydrophobicContact CD2-CG 4.34Å; L127-W170 HydrophobicContact CD2-CZ3 4.07Å; W168-W170 PolarHBondContact O-N 2.93Å; W170-Y172 HydrophobicContact CB-CD2 4.07Å; W170-Y172 HydrophobicContact CB-CE2 4.25Å; W170-M211 HydrophobicContact CH2-CE 3.65Å; W170-M211 HydrophobicContact CH2-SD 3.78Å; W170-M211 HydrophobicContact CZ2-CE 3.82Å; W170-M211 HydrophobicContact CZ3-CE 4.49Å; W170-M211 HydrophobicContact CZ3-SD 4.36Å
171	G	89.7	Confident	87.9	Confident	11 Å²	11	58.2 Å²	58.2	11%	0.113	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	82.1	14.4	-179.1	0	0	0	0	0	114.1	K106 W168 F169	K106-G171 VanDerWaalsContact CE-C 3.41Å; K106-G171 WeakPolarHBondContact CE-O 3.3Å; K106-G171 PolarHBondContact NZ-O 3.3Å; W168-G171 VanDerWaalsContact CE2-N 3.28Å; W168-G171 VanDerWaalsContact CH2-CA 3.43Å; W168-G171 WeakPolarHBondContact O-CA 3.43Å; W168-G171 PolarHBondContact O-N 2.88Å; F169-G171 PolarHBondContact O-N 2.85Å
172	Y	90.8	Very high	87.9	Confident	45 Å²	45	58 Å²	58	18%	0.176	30%	0.299	C	S	.	.			trans	-96.3	107.1	175.9	-68.6	-96	0	0	0	111	P89 K106 L127 L131 F169 W170 D174 I175	P89-Y172 HydrophobicContact CG-CE2 4.25Å; K106-Y172 HydrophobicContact CB-CE2 4.49Å; K106-Y172 HydrophobicContact CD-CE2 4.07Å; K106-Y172 HydrophobicContact CG-CD2 4.48Å; K106-Y172 HydrophobicContact CG-CE2 3.75Å; L127-Y172 HydrophobicContact CD2-CD2 3.83Å; L127-Y172 HydrophobicContact CD2-CE2 3.55Å; L127-Y172 HydrophobicContact CG-CE2 4.41Å; L131-Y172 HydrophobicContact CD1-CD1 3.47Å; L131-Y172 VanDerWaalsContact CD1-CD1 3.47Å; L131-Y172 HydrophobicContact CD1-CE1 3.5Å; L131-Y172 VanDerWaalsContact CD1-CE1 3.5Å; L131-Y172 HydrophobicContact CD1-CG 4.07Å; F169-Y172 WeakPolarHBondContact O-CD2 3.34Å; F169-Y172 PolarHBondContact O-N 2.96Å; F169-Y172 VanDerWaalsContact O-N 3.11Å; W170-Y172 HydrophobicContact CB-CD2 4.07Å; W170-Y172 HydrophobicContact CB-CE2 4.25Å; Y172-D174 PolarHBondContact O-N 2.99Å; Y172-I175 HydrophobicContact CD2-CD1 4.49Å; Y172-I175 HydrophobicContact CG-CD1 4.11Å; Y172-I175 PolarHBondContact O-N 2.74Å
173	D	87.2	Confident	87.9	Confident	103 Å²	103	53.6 Å²	53.6	55%	0.551	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-21.8	-180	-76.4	-61	0	0	0	114.4	K166 I175 Y176	K166-D173 IonicContact NZ-OD1 2.98Å; K166-D173 PolarHBondContact NZ-OD1 2.91Å; D173-I175 VanDerWaalsContact C-N 3.26Å; D173-I175 PolarHBondContact O-N 2.81Å; D173-Y176 WeakPolarHBondContact O-CE2 3.39Å; D173-Y176 VanDerWaalsContact O-CZ 3.26Å; D173-Y176 PolarHBondContact O-OH 3.42Å
174	D	87.4	Confident	88.1	Confident	72 Å²	72	52.4 Å²	52.4	39%	0.385	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	5	-177.3	-60.7	-31.6	0	0	0	113.9	K136 P137 L138 Y172	K136-D174 HydrophobicContact CD-CB 3.96Å; K136-D174 WeakPolarHBondContact CD-OD2 3.37Å; K136-D174 HydrophobicContact CG-CB 4.41Å; K136-D174 IonicContact NZ-OD2 3.39Å; K136-D174 PolarHBondContact NZ-OD2 2.84Å; P137-D174 WeakPolarHBondContact CA-O 3.39Å; L138-D174 PolarHBondContact N-O 2.88Å; L138-D174 VanDerWaalsContact N-O 3.09Å; Y172-D174 PolarHBondContact O-N 2.99Å
175	I	90.7	Very high	88.1	Confident	2 Å²	2	48.2 Å²	48.2	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	130.5	179.2	-53.7	-178.4	0	0	0	109.1	L131 L138 F169 Y172 D173	L131-I175 HydrophobicContact CD1-CD1 4.19Å; L131-I175 HydrophobicContact CD2-CD1 3.9Å; L131-I175 HydrophobicContact CD2-CG1 4.04Å; L138-I175 HydrophobicContact CD2-CD1 4.44Å; L138-I175 HydrophobicContact CD2-CG1 4.31Å; L138-I175 HydrophobicContact CD2-CG2 4.15Å; F169-I175 HydrophobicContact CB-CB 3.87Å; F169-I175 HydrophobicContact CB-CD1 4.32Å; F169-I175 HydrophobicContact CB-CG2 4.03Å; F169-I175 HydrophobicContact CD1-CB 4.47Å; F169-I175 HydrophobicContact CD1-CG2 3.71Å; F169-I175 HydrophobicContact CD2-CB 4.07Å; F169-I175 HydrophobicContact CD2-CG2 3.97Å; F169-I175 WeakPolarHBondContact CD2-O 3.42Å; F169-I175 HydrophobicContact CE1-CG2 4.1Å; F169-I175 HydrophobicContact CE2-CG2 4.33Å; F169-I175 WeakPolarHBondContact CE2-O 3.36Å; F169-I175 HydrophobicContact CG-CB 3.91Å; F169-I175 HydrophobicContact CG-CG2 3.65Å; F169-I175 HydrophobicContact CZ-CG2 4.4Å; Y172-I175 HydrophobicContact CD2-CD1 4.49Å; Y172-I175 HydrophobicContact CG-CD1 4.11Å; Y172-I175 PolarHBondContact O-N 2.74Å; D173-I175 VanDerWaalsContact C-N 3.26Å; D173-I175 PolarHBondContact O-N 2.81Å
176	Y	90.2	Very high	88.1	Confident	52 Å²	52	54 Å²	54	20%	0.204	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	153.4	177.7	-56.6	-91.6	0	0	0	110.4	P137 L138 T139 V140 R164 W165 D173	P137-Y176 HydrophobicContact CB-CD2 3.67Å; P137-Y176 HydrophobicContact CB-CE2 3.71Å; L138-Y176 PolarHBondContact O-N 2.84Å; T139-Y176 VanDerWaalsContact CA-O 3.29Å; T139-Y176 WeakPolarHBondContact CA-O 3.38Å; V140-Y176 PolarHBondContact N-O 3.41Å; R164-Y176 HydrophobicContact CB-CD1 4.5Å; W165-Y176 WeakPolarHBondContact O-CA 3.33Å; D173-Y176 WeakPolarHBondContact O-CE2 3.39Å; D173-Y176 VanDerWaalsContact O-CZ 3.26Å; D173-Y176 PolarHBondContact O-OH 3.42Å
177	A	88.2	Confident	88.2	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	138.8	166.1	0	0	0	0	0	110.9	V140 V142 R164 W165 F169	V140-A177 HydrophobicContact CG2-CB 4.38Å; V140-A177 CarbonylContact O-C 3.49Å; V140-A177 WeakPolarHBondContact O-CA 3.49Å; V142-A177 HydrophobicContact CB-CB 4.25Å; V142-A177 HydrophobicContact CG2-CB 3.54Å; R164-A177 CarbonylContact C-O 3.56Å; R164-A177 WeakPolarHBondContact CA-O 3.34Å; W165-A177 HydrophobicContact CB-CB 3.93Å; W165-A177 PolarHBondContact N-O 2.71Å; W165-A177 PolarHBondContact O-N 3.27Å; F169-A177 HydrophobicContact CZ-CB 4.2Å
178	R	83.4	Confident	88.5	Confident	161 Å²	161	55.7 Å²	55.7	61%	0.608	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.5	-52.4	172.8	-163.5	174.1	172.5	176.9	-2.5	108.9	T139 V140	T139-R178 VanDerWaalsContact CG2-CA 3.43Å; T139-R178 HydrophobicContact CG2-CB 3.3Å; T139-R178 HydrophobicContact CG2-CG 3.98Å; T139-R178 VanDerWaalsContact CG2-N 3.28Å; V140-R178 PolarHBondContact O-N 3.4Å
179	N	83.2	Confident	88.8	Confident	89 Å²	89	50.4 Å²	50.4	48%	0.476	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	144.3	-178.2	-56.6	-56.5	0	0	0	107.6	N141 V142	N141-N179 WeakPolarHBondContact OD1-CB 3.31Å; N141-N179 PolarHBondContact OD1-ND2 3.2Å; V142-N179 PolarHBondContact N-O 2.7Å
180	F	83.6	Confident	89	Confident	35 Å²	35	56.9 Å²	56.9	15%	0.154	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	134.8	-178.5	171.7	-94	0	0	0	108.4	V142 I144 H155 Y158 W165	V142-F180 HydrophobicContact CB-CD2 4.1Å; V142-F180 HydrophobicContact CG1-CD2 3.94Å; V142-F180 HydrophobicContact CG1-CE2 4.21Å; V142-F180 WeakPolarHBondContact O-CA 3.44Å; I144-F180 HydrophobicContact CD1-CE2 3.35Å; I144-F180 HydrophobicContact CD1-CZ 3.4Å; I144-F180 HydrophobicContact CG1-CD2 4.47Å; I144-F180 HydrophobicContact CG1-CE2 3.41Å; I144-F180 VanDerWaalsContact CG1-CE2 3.41Å; I144-F180 HydrophobicContact CG1-CZ 3.71Å; H155-F180 AromaticContact CD2-CE1 3.51Å; H155-F180 AromaticContact NE2-CE1 3.72Å; Y158-F180 HydrophobicContact CD1-CD2 4.05Å; Y158-F180 HydrophobicContact CD1-CE2 4.1Å; Y158-F180 AromaticContact CD2-CE2 3.82Å; Y158-F180 HydrophobicContact CD2-CE2 3.82Å; Y158-F180 HydrophobicContact CD2-CZ 4.41Å; Y158-F180 HydrophobicContact CE1-CD2 4.3Å; Y158-F180 HydrophobicContact CE1-CE2 4.31Å; Y158-F180 HydrophobicContact CE2-CE2 4.05Å; Y158-F180 HydrophobicContact CG-CD2 4.2Å; Y158-F180 AromaticContact CG-CE2 3.86Å; Y158-F180 HydrophobicContact CG-CE2 3.86Å; W165-F180 HydrophobicContact CD2-CB 4.11Å; W165-F180 HydrophobicContact CG-CB 4.1Å
181	S	84.5	Confident	89	Confident	51 Å²	51	59.7 Å²	59.7	36%	0.357	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	148.6	172.6	63.9	0	0	0	0	110.5	V142 T143 I144	V142-S181 PolarHBondContact O-N 2.95Å; T143-S181 CarbonylContact C-O 3.58Å; T143-S181 WeakPolarHBondContact CA-O 3.38Å; I144-S181 PolarHBondContact N-O 3.43Å
182	C	86.2	Confident	89.3	Confident	35 Å²	35	59.1 Å²	59.1	24%	0.236	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	138.8	164.5	-45.7	0	0	0	0	109.6	I144 C152	I144-C182 HydrophobicContact CB-CB 4.35Å; I144-C182 WeakPolarHBondContact O-CA 3.28Å; C152-C182 HydrophobicContact CB-CB 4.19Å; C152-C182 WeakPolarHBondContact CB-SG 3.42Å; C152-C182 WeakPolarHBondContact SG-CB 3.29Å; C152-C182 CovalentContact SG-SG 2.02Å; C152-C182 PolarHBondContact SG-SG 3.07Å
183	V	86.9	Confident	89.5	Confident	45 Å²	45	57 Å²	57	27%	0.273	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	128.6	176	175.1	0	0	0	0	109.2	T143 I144 M145 R146 F185 L195	T143-V183 HydrophobicContact CG2-CB 4.11Å; T143-V183 HydrophobicContact CG2-CG2 3.83Å; I144-V183 PolarHBondContact O-N 3.46Å; M145-V183 CarbonylContact C-O 3.38Å; M145-V183 WeakPolarHBondContact CA-O 3.38Å; R146-V183 PolarHBondContact N-O 2.94Å; V183-F185 PolarHBondContact O-N 2.79Å; V183-L195 HydrophobicContact CB-CD1 4.21Å; V183-L195 HydrophobicContact CG1-CD1 4.03Å; V183-L195 HydrophobicContact CG1-CD2 4.45Å; V183-L195 HydrophobicContact CG2-CD1 3.87Å
184	S	87.6	Confident	89.7	Confident	45 Å²	45	56.3 Å²	56.3	32%	0.315	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	114.7	167.5	-54.8	0	0	0	0	108.3	R146 E148 H149	R146-S184 CarbonylContact O-C 3.58Å; R146-S184 VanDerWaalsContact O-CA 3.24Å; R146-S184 WeakPolarHBondContact O-CA 3.46Å; E148-S184 WeakPolarHBondContact O-CB 3.47Å; E148-S184 PolarHBondContact O-OG 3.15Å; H149-S184 WeakPolarHBondContact CA-OG 3.45Å
185	F	89.9	Confident	89.9	Confident	10 Å²	10	54.1 Å²	54.1	4%	0.044	27%	0.269	C	S	.	.			trans	-122.4	121.6	-172.4	-169.6	-91	0	0	0	109.4	M145 R146 V183 G187 T191 A192 L195 V217 M218	M145-F185 HydrophobicContact CB-CB 4.03Å; M145-F185 HydrophobicContact CE-CD2 4.42Å; M145-F185 HydrophobicContact CE-CE2 4.49Å; M145-F185 HydrophobicContact CG-CB 3.97Å; M145-F185 HydrophobicContact CG-CG 4.17Å; M145-F185 HydrophobicContact SD-CB 4.38Å; M145-F185 HydrophobicContact SD-CD1 3.93Å; M145-F185 HydrophobicContact SD-CD2 4.44Å; M145-F185 HydrophobicContact SD-CE1 4.33Å; M145-F185 HydrophobicContact SD-CG 3.98Å; R146-F185 PolarHBondContact O-N 2.73Å; V183-F185 PolarHBondContact O-N 2.79Å; F185-G187 WeakPolarHBondContact CE1-O 3.24Å; F185-T191 HydrophobicContact CE2-CG2 4.02Å; F185-T191 HydrophobicContact CZ-CG2 4.2Å; F185-A192 HydrophobicContact CE2-CB 3.97Å; F185-A192 HydrophobicContact CZ-CB 3.79Å; F185-L195 HydrophobicContact CD2-CD2 4.06Å; F185-L195 HydrophobicContact CE2-CD2 4.41Å; F185-V217 HydrophobicContact CB-CG1 4.36Å; F185-V217 HydrophobicContact CD1-CG1 4.33Å; F185-V217 WeakPolarHBondContact O-CG1 3.11Å; F185-M218 HydrophobicContact CE1-CB 4.14Å; F185-M218 HydrophobicContact CE1-CG 4.1Å
186	Q	89.3	Confident	90	Very high	155 Å²	155	54.1 Å²	54.1	72%	0.724	27%	0.269	S	S	*	.			trans	-132	114.1	165	-66.9	-175.9	1	0	0	106.5	Y147	Y147-Q186 PolarHBondContact O-NE2 2.95Å
187	G	92.1	Very high	90	Very high	14 Å²	14	53.6 Å²	53.6	14%	0.144	27%	0.27	C	S	.	.	S	Bend	trans	163	-169.3	-177.7	0	0	0	0	0	113.6	F185 L219	F185-G187 WeakPolarHBondContact CE1-O 3.24Å; G187-L219 WeakPolarHBondContact O-CB 3.5Å; G187-L219 PolarHBondContact O-N 2.96Å
188	Y	95.3	Very high	89.9	Confident	122 Å²	122	58 Å²	58	48%	0.478	30%	0.3	S	S	.	.	B	Isolated β-bridge	trans	-103.9	171	-174.4	-53	-78	0	0	0	111.2	K190 T191 A192 L219 H220 D221	Y188-K190 PolarHBondContact O-N 2.76Å; Y188-T191 PolarHBondContact N-OG1 3.05Å; Y188-T191 WeakPolarHBondContact O-CA 3.24Å; Y188-T191 VanDerWaalsContact O-CB 3.25Å; Y188-T191 WeakPolarHBondContact O-CB 3.44Å; Y188-T191 PolarHBondContact O-N 2.95Å; Y188-A192 PolarHBondContact O-N 2.88Å; Y188-L219 CarbonylContact C-O 3.58Å; Y188-L219 VanDerWaalsContact CA-O 3.31Å; Y188-L219 WeakPolarHBondContact CA-O 3.41Å; Y188-L219 HydrophobicContact CD1-CB 3.63Å; Y188-L219 HydrophobicContact CE1-CB 4.04Å; Y188-L219 HydrophobicContact CE1-CD1 4.24Å; Y188-H220 WeakPolarHBondContact CD1-O 3.1Å; Y188-D221 WeakPolarHBondContact CB-OD1 3.45Å
189	A	95.9	Very high	90	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-52.1	-38.1	176.2	0	0	0	0	0	113.6	R68 V72 T191 A192 V193 M218 L219 D221	R68-A189 WeakPolarHBondContact O-CB 3.21Å; V72-A189 HydrophobicContact CG2-CB 3.8Å; V72-A189 WeakPolarHBondContact CG2-O 3.39Å; A189-T191 VanDerWaalsContact C-N 3.28Å; A189-T191 PolarHBondContact O-N 2.96Å; A189-A192 WeakPolarHBondContact O-CB 3.31Å; A189-A192 PolarHBondContact O-N 3.38Å; A189-A192 VanDerWaalsContact O-N 3.11Å; A189-V193 PolarHBondContact O-N 2.74Å; A189-M218 WeakPolarHBondContact CA-SD 3.36Å; A189-M218 HydrophobicContact CB-CG 4.34Å; A189-M218 HydrophobicContact CB-SD 3.7Å; A189-L219 PolarHBondContact N-O 2.78Å; A189-D221 PolarHBondContact N-OD1 3.31Å
190	K	94.4	Very high	89.8	Confident	137 Å²	137	47.5 Å²	47.5	60%	0.596	26%	0.259	S	S	*	.	H	α-helix	trans	-63.3	-33	175.3	-170.5	178.3	-179.5	-173.9	0	112.7	Y188 A192 V193 D221	Y188-K190 PolarHBondContact O-N 2.76Å; K190-A192 VanDerWaalsContact C-N 3.34Å; K190-V193 WeakPolarHBondContact O-CB 3.29Å; K190-V193 WeakPolarHBondContact O-CG2 3.21Å; K190-V193 PolarHBondContact O-N 2.66Å; K190-D221 WeakPolarHBondContact CB-OD1 3.4Å; K190-D221 PolarHBondContact N-OD1 3.44Å; K190-D221 PolarHBondContact N-OD2 3.06Å
191	T	93.5	Very high	89.2	Confident	69 Å²	69	47.9 Å²	47.9	42%	0.423	27%	0.265	S	S	.	.	H	α-helix	trans	-68.1	-35.6	174.5	-48.3	0	0	0	0	111.1	F185 Y188 A189 V193	F185-T191 HydrophobicContact CE2-CG2 4.02Å; F185-T191 HydrophobicContact CZ-CG2 4.2Å; Y188-T191 PolarHBondContact N-OG1 3.05Å; Y188-T191 WeakPolarHBondContact O-CA 3.24Å; Y188-T191 VanDerWaalsContact O-CB 3.25Å; Y188-T191 WeakPolarHBondContact O-CB 3.44Å; Y188-T191 PolarHBondContact O-N 2.95Å; A189-T191 VanDerWaalsContact C-N 3.28Å; A189-T191 PolarHBondContact O-N 2.96Å; T191-V193 PolarHBondContact O-N 2.95Å
192	A	94.9	Very high	88.3	Confident	0 Å²	0	51 Å²	51	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-69.3	-15	178.5	0	0	0	0	0	113.6	V72 M145 F185 Y188 A189 K190 D194 L195 V196 M218	V72-A192 HydrophobicContact CG2-CB 4.12Å; M145-A192 HydrophobicContact CE-CB 3.96Å; F185-A192 HydrophobicContact CE2-CB 3.97Å; F185-A192 HydrophobicContact CZ-CB 3.79Å; Y188-A192 PolarHBondContact O-N 2.88Å; A189-A192 WeakPolarHBondContact O-CB 3.31Å; A189-A192 PolarHBondContact O-N 3.38Å; A189-A192 VanDerWaalsContact O-N 3.11Å; K190-A192 VanDerWaalsContact C-N 3.34Å; A192-D194 PolarHBondContact O-N 3.25Å; A192-L195 WeakPolarHBondContact O-CB 3.49Å; A192-L195 PolarHBondContact O-N 3.09Å; A192-V196 WeakPolarHBondContact O-CG2 3.37Å; A192-V196 PolarHBondContact O-N 3.32Å; A192-M218 HydrophobicContact CB-CE 3.43Å; A192-M218 VanDerWaalsContact CB-CE 3.43Å; A192-M218 HydrophobicContact CB-SD 4.11Å
193	V	95.3	Very high	87.2	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-60.1	-47.9	177.5	177.1	0	0	0	0	111.2	V72 A75 L76 R79 A189 K190 T191 L195 V196 L197	V72-V193 HydrophobicContact CG1-CG2 4.18Å; A75-V193 HydrophobicContact CB-CG2 3.56Å; L76-V193 HydrophobicContact CD2-CG1 3.72Å; L76-V193 HydrophobicContact CG-CG1 4.08Å; R79-V193 VanDerWaalsContact CZ-CG1 3.49Å; A189-V193 PolarHBondContact O-N 2.74Å; K190-V193 WeakPolarHBondContact O-CB 3.29Å; K190-V193 WeakPolarHBondContact O-CG2 3.21Å; K190-V193 PolarHBondContact O-N 2.66Å; T191-V193 PolarHBondContact O-N 2.95Å; V193-L195 VanDerWaalsContact C-N 3.3Å; V193-L195 PolarHBondContact O-N 3.01Å; V193-V196 PolarHBondContact O-N 3.02Å; V193-L197 HydrophobicContact CG1-CD1 4.2Å; V193-L197 WeakPolarHBondContact O-CG 3.42Å; V193-L197 PolarHBondContact O-N 3.21Å
194	D	91.7	Very high	85.6	Confident	89 Å²	89	58.1 Å²	58.1	48%	0.476	32%	0.319	S	S	.	.	H	α-helix	trans	-68.7	-34.3	-179.3	-63.8	-44.4	0	0	0	111.2	R79 A192 L197 S198	R79-D194 IonicContact CZ-OD1 3.62Å; R79-D194 IonicContact NH1-OD1 2.73Å; R79-D194 PolarHBondContact NH1-OD1 3.17Å; R79-D194 IonicContact NH1-OD2 3.84Å; R79-D194 IonicContact NH2-OD1 3.58Å; R79-D194 IonicContact NH2-OD2 2.66Å; A192-D194 PolarHBondContact O-N 3.25Å; D194-L197 PolarHBondContact O-N 3.22Å; D194-S198 PolarHBondContact O-N 3.39Å
195	L	90.5	Very high	84	Confident	25 Å²	25	64.8 Å²	64.8	13%	0.131	34%	0.343	C	S	.	.	H	α-helix	trans	-60	-50.2	172.3	-179.5	62.9	0	0	0	111.4	T143 M145 V183 F185 A192 V193 L197 S198 A199	T143-L195 HydrophobicContact CG2-CD1 4.02Å; T143-L195 HydrophobicContact CG2-CD2 3.93Å; T143-L195 HydrophobicContact CG2-CG 4.15Å; M145-L195 HydrophobicContact CE-CD2 3.7Å; M145-L195 HydrophobicContact CG-CD2 4.49Å; V183-L195 HydrophobicContact CB-CD1 4.21Å; V183-L195 HydrophobicContact CG1-CD1 4.03Å; V183-L195 HydrophobicContact CG1-CD2 4.45Å; V183-L195 HydrophobicContact CG2-CD1 3.87Å; F185-L195 HydrophobicContact CD2-CD2 4.06Å; F185-L195 HydrophobicContact CE2-CD2 4.41Å; A192-L195 WeakPolarHBondContact O-CB 3.49Å; A192-L195 PolarHBondContact O-N 3.09Å; V193-L195 VanDerWaalsContact C-N 3.3Å; V193-L195 PolarHBondContact O-N 3.01Å; L195-L197 VanDerWaalsContact C-N 3.32Å; L195-L197 PolarHBondContact O-N 3.08Å; L195-S198 PolarHBondContact O-N 3.46Å; L195-S198 PolarHBondContact O-OG 3.22Å; L195-A199 PolarHBondContact O-N 2.87Å
196	V	92.8	Very high	82.5	Confident	2 Å²	2	67.3 Å²	67.3	1%	0.012	36%	0.359	C	S	.	.	H	α-helix	trans	-59.5	-44.2	177.6	172.5	0	0	0	0	110.9	L49 V72 L76 F83 A192 V193 S198 A199 V200 I212	L49-V196 HydrophobicContact CD1-CG1 4.34Å; L49-V196 HydrophobicContact CD1-CG2 4.06Å; V72-V196 HydrophobicContact CG1-CG2 4.17Å; L76-V196 HydrophobicContact CD1-CB 4.32Å; L76-V196 HydrophobicContact CD1-CG1 3.85Å; L76-V196 HydrophobicContact CD2-CG1 4.33Å; F83-V196 HydrophobicContact CE1-CG1 3.82Å; F83-V196 HydrophobicContact CE2-CG1 4.37Å; F83-V196 HydrophobicContact CZ-CG1 3.55Å; A192-V196 WeakPolarHBondContact O-CG2 3.37Å; A192-V196 PolarHBondContact O-N 3.32Å; V193-V196 PolarHBondContact O-N 3.02Å; V196-S198 VanDerWaalsContact C-N 3.29Å; V196-S198 PolarHBondContact O-N 2.72Å; V196-A199 PolarHBondContact O-N 3.08Å; V196-V200 WeakPolarHBondContact O-CG2 3.48Å; V196-V200 PolarHBondContact O-N 3.46Å; V196-I212 HydrophobicContact CG2-CD1 3.63Å; V196-I212 HydrophobicContact CG2-CG1 4.32Å
197	L	90.8	Very high	81	Confident	42 Å²	42	64.1 Å²	64.1	22%	0.22	35%	0.353	C	S	.	.	H	α-helix	trans	-64.8	-33.8	-179.9	-68.7	176.1	0	0	0	112.6	L76 F83 V193 D194 L195 A199 V200	L76-L197 HydrophobicContact CD2-CD1 4.24Å; L76-L197 HydrophobicContact CD2-CD2 3.57Å; L76-L197 HydrophobicContact CD2-CG 3.68Å; F83-L197 HydrophobicContact CE2-CD2 4.41Å; V193-L197 HydrophobicContact CG1-CD1 4.2Å; V193-L197 WeakPolarHBondContact O-CG 3.42Å; V193-L197 PolarHBondContact O-N 3.21Å; D194-L197 PolarHBondContact O-N 3.22Å; L195-L197 VanDerWaalsContact C-N 3.32Å; L195-L197 PolarHBondContact O-N 3.08Å; L197-A199 VanDerWaalsContact C-N 3.31Å; L197-V200 PolarHBondContact O-N 3.3Å
198	S	87	Confident	80.4	Confident	92 Å²	92	63.7 Å²	63.7	64%	0.643	35%	0.348	S	S	*	.	H	α-helix	trans	-69.9	-27.8	175.6	76.1	0	0	0	0	113.4	D194 L195 V196	D194-S198 PolarHBondContact O-N 3.39Å; L195-S198 PolarHBondContact O-N 3.46Å; L195-S198 PolarHBondContact O-OG 3.22Å; V196-S198 VanDerWaalsContact C-N 3.29Å; V196-S198 PolarHBondContact O-N 2.72Å
199	A	84	Confident	80.1	Confident	19 Å²	19	58.2 Å²	58.2	16%	0.157	33%	0.327	C	S	.	.	H	α-helix	trans	-83.7	-12.2	178.6	0	0	0	0	0	113.8	N141 L195 V196 L197 V210	N141-A199 PolarHBondContact ND2-O 3.33Å; L195-A199 PolarHBondContact O-N 2.87Å; V196-A199 PolarHBondContact O-N 3.08Å; L197-A199 VanDerWaalsContact C-N 3.31Å; A199-V210 HydrophobicContact CB-CG1 3.97Å; A199-V210 HydrophobicContact CB-CG2 4.19Å
200	V	80.5	Confident	80	Confident	10 Å²	10	58.3 Å²	58.3	6%	0.061	33%	0.328	C	S	.	.	S	Bend	trans	-84.1	128.2	176.8	177.8	0	0	0	0	110	R47 F83 V196 L197 S202 V210	R47-V200 VanDerWaalsContact NH1-CG1 3.26Å; F83-V200 HydrophobicContact CZ-CG2 3.72Å; V196-V200 WeakPolarHBondContact O-CG2 3.48Å; V196-V200 PolarHBondContact O-N 3.46Å; L197-V200 PolarHBondContact O-N 3.3Å; V200-S202 PolarHBondContact O-N 3.39Å; V200-V210 HydrophobicContact CG2-CG2 3.61Å
201	P	71.2	Confident	79.9	Confident	43 Å²	43	51.8 Å²	51.8	28%	0.279	30%	0.299	S	S	.	.			trans	-56.3	138.2	172.2	-22.3	33.1	0	0	0	111.3	I203	P201-I203 PolarHBondContact O-N 3.21Å; P201-I203 VanDerWaalsContact O-N 3.14Å
202	S	65.3	Low	80	Confident	117 Å²	117	48.6 Å²	48.6	82%	0.818	28%	0.28	S	S	*	.	S	Bend	trans	-69.5	-7.2	178.9	-43.6	0	0	0	0	113.7	V200 I204	V200-S202 PolarHBondContact O-N 3.39Å; S202-I204 PolarHBondContact O-N 2.97Å
203	I	62.2	Low	79.9	Confident	112 Å²	112	48.9 Å²	48.9	57%	0.574	28%	0.281	S	S	*	.			trans	-80.1	120.9	-176.2	-59.6	170.8	0	0	0	109.4	P201 F205	P201-I203 PolarHBondContact O-N 3.21Å; P201-I203 VanDerWaalsContact O-N 3.14Å; I203-F205 PolarHBondContact O-N 2.72Å
204	I	53.3	Low	79.7	Confident	117 Å²	117	52.3 Å²	52.3	60%	0.6	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	0.3	-170.8	-64.6	167	0	0	0	114	E45 S202	E45-I204 VanDerWaalsContact CD-C 3.41Å; E45-I204 VanDerWaalsContact OE1-C 3.3Å; E45-I204 WeakPolarHBondContact OE2-CA 3.4Å; S202-I204 PolarHBondContact O-N 2.97Å
205	F	53.9	Low	79.9	Confident	185 Å²	185	48.1 Å²	48.1	81%	0.811	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.5	13.5	-171.7	-63.5	-73.1	0	0	0	114	E45 I203	E45-F205 WeakPolarHBondContact OE1-CA 3.22Å; E45-F205 PolarHBondContact OE1-N 3Å; I203-F205 PolarHBondContact O-N 2.72Å
206	T	58.6	Low	80.2	Confident	64 Å²	64	47.7 Å²	47.7	39%	0.393	27%	0.269	S	S	.	.	S	Bend	trans	-124.8	119	178.5	54.7	0	0	0	0	110.4	E45 S208	E45-T206 WeakPolarHBondContact OE1-CA 3.36Å; E45-T206 PolarHBondContact OE1-N 3.33Å; T206-S208 PolarHBondContact O-N 3.17Å; T206-S208 PolarHBondContact O-OG 3.18Å
207	C	57.5	Low	80.2	Confident	88 Å²	88	47.8 Å²	47.8	60%	0.595	27%	0.27	S	S	*	.			trans	-45	102.6	167	-76.7	0	0	0	0	109.2
208	S	80.8	Confident	80.4	Confident	5 Å²	5	45.8 Å²	45.8	4%	0.035	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	114.6	-170.7	-69.4	0	0	0	0	109.4	R47 Y48 T206	R47-S208 WeakPolarHBondContact CA-O 3.17Å; Y48-S208 PolarHBondContact N-O 2.94Å; T206-S208 PolarHBondContact O-N 3.17Å; T206-S208 PolarHBondContact O-OG 3.18Å
209	S	88.8	Confident	80.9	Confident	7 Å²	7	45 Å²	45	5%	0.049	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	120.9	178.9	-57.7	0	0	0	0	109.4	Y48 F130 N141	Y48-S209 WeakPolarHBondContact O-CA 3.45Å; F130-S209 WeakPolarHBondContact CZ-OG 3.5Å; N141-S209 PolarHBondContact N-O 2.94Å
210	V	92.2	Very high	81.5	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.006	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	136.6	176.5	177.8	0	0	0	0	108.2	Y48 L49 L50 N141 A199 V200	Y48-V210 PolarHBondContact O-N 2.82Å; L49-V210 WeakPolarHBondContact CA-O 3.39Å; L49-V210 HydrophobicContact CD1-CB 4.45Å; L49-V210 HydrophobicContact CD1-CG1 4.45Å; L50-V210 PolarHBondContact N-O 3.02Å; N141-V210 CarbonylContact O-C 3.59Å; N141-V210 WeakPolarHBondContact O-CA 3Å; A199-V210 HydrophobicContact CB-CG1 3.97Å; A199-V210 HydrophobicContact CB-CG2 4.19Å; V200-V210 HydrophobicContact CG2-CG2 3.61Å
211	M	94.1	Very high	82.2	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	128.1	173.5	-180	174.9	170.5	0	0	110.1	L50 E52 V140 N141 V142 T143 F167 F169 W170	L50-M211 HydrophobicContact CB-CB 3.99Å; L50-M211 HydrophobicContact CB-CG 4.04Å; L50-M211 WeakPolarHBondContact O-CA 3.43Å; E52-M211 HydrophobicContact CB-CE 3.56Å; V140-M211 HydrophobicContact CG2-CB 4.44Å; N141-M211 PolarHBondContact O-N 3.29Å; V142-M211 WeakPolarHBondContact CA-O 3.46Å; V142-M211 HydrophobicContact CG2-CB 4.13Å; V142-M211 HydrophobicContact CG2-SD 4.37Å; T143-M211 PolarHBondContact N-O 3.22Å; F167-M211 HydrophobicContact CE1-CE 4.19Å; F169-M211 HydrophobicContact CD1-CE 4.43Å; F169-M211 HydrophobicContact CD1-SD 3.86Å; F169-M211 HydrophobicContact CE1-SD 3.64Å; W170-M211 HydrophobicContact CH2-CE 3.65Å; W170-M211 HydrophobicContact CH2-SD 3.78Å; W170-M211 HydrophobicContact CZ2-CE 3.82Å; W170-M211 HydrophobicContact CZ3-CE 4.49Å; W170-M211 HydrophobicContact CZ3-SD 4.36Å
212	I	94.6	Very high	83.4	Confident	2 Å²	2	51 Å²	51	1%	0.01	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	110.8	169.9	-62	175.7	0	0	0	108.3	L49 L50 Y51 E52 I69 T143 M145 V196 A215 M218	L49-I212 HydrophobicContact CD1-CD1 3.98Å; L49-I212 HydrophobicContact CD1-CG1 4.03Å; L50-I212 PolarHBondContact O-N 3.33Å; Y51-I212 CarbonylContact C-O 3.37Å; Y51-I212 WeakPolarHBondContact CA-O 3.43Å; Y51-I212 WeakPolarHBondContact CB-O 3.44Å; E52-I212 PolarHBondContact N-O 3.5Å; I69-I212 HydrophobicContact CD1-CD1 4.16Å; T143-I212 WeakPolarHBondContact O-CA 3.38Å; M145-I212 HydrophobicContact CE-CB 4.43Å; M145-I212 HydrophobicContact CE-CD1 3.83Å; M145-I212 HydrophobicContact CE-CG1 4.26Å; M145-I212 HydrophobicContact CE-CG2 3.35Å; M145-I212 HydrophobicContact CG-CG2 4.09Å; M145-I212 HydrophobicContact SD-CG2 3.79Å; V196-I212 HydrophobicContact CG2-CD1 3.63Å; V196-I212 HydrophobicContact CG2-CG1 4.32Å; I212-A215 HydrophobicContact CG2-CB 4.17Å; I212-M218 HydrophobicContact CD1-CE 4.31Å
213	D	92.4	Very high	84.8	Confident	6 Å²	6	52 Å²	52	3%	0.032	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	155.2	169.5	-161.9	-6	0	0	0	109.9	V142 T143 I144 M145 Y158 A215	V142-D213 HydrophobicContact CG1-CB 4.4Å; T143-D213 PolarHBondContact O-N 3.12Å; I144-D213 HydrophobicContact CG1-CB 4.06Å; M145-D213 PolarHBondContact N-O 3.07Å; M145-D213 VanDerWaalsContact N-O 3.07Å; Y158-D213 VanDerWaalsContact CE2-OD2 3.29Å; Y158-D213 WeakPolarHBondContact CE2-OD2 3.43Å; Y158-D213 PolarHBondContact OH-OD2 3.49Å; D213-A215 VanDerWaalsContact C-N 3.29Å; D213-A215 PolarHBondContact O-N 2.96Å
214	R	92.4	Very high	86.5	Confident	73 Å²	73	48.4 Å²	48.4	28%	0.275	25%	0.253	S	S	.	.	S	Bend	trans	59.4	40.7	-178.3	-51.7	-57.6	-55.4	-85.9	-9.5	112.4	E52 I144 M145 E216 V217	E52-R214 PolarHBondContact O-N 3.43Å; E52-R214 VanDerWaalsContact O-N 3.15Å; I144-R214 HydrophobicContact CG2-CB 4.3Å; I144-R214 HydrophobicContact CG2-CG 3.69Å; M145-R214 VanDerWaalsContact O-CB 3.31Å; M145-R214 WeakPolarHBondContact O-CB 3.32Å; R214-E216 WeakPolarHBondContact CA-OE2 3.04Å; R214-E216 IonicContact CZ-OE1 2.74Å; R214-E216 IonicContact NE-OE1 2.77Å; R214-E216 PolarHBondContact NE-OE1 2.97Å; R214-E216 IonicContact NE-OE2 3.06Å; R214-E216 IonicContact NH2-OE1 2.66Å; R214-E216 PolarHBondContact NH2-OE1 2.82Å; R214-E216 PolarHBondContact O-N 2.82Å; R214-V217 HydrophobicContact CB-CG2 4.31Å; R214-V217 WeakPolarHBondContact O-CB 3.33Å; R214-V217 VanDerWaalsContact O-CG2 3.29Å; R214-V217 WeakPolarHBondContact O-CG2 3.33Å; R214-V217 PolarHBondContact O-N 2.86Å; R214-V217 VanDerWaalsContact O-N 3.12Å
215	A	96	Very high	88.5	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-61.6	-16.3	-176.5	0	0	0	0	0	113.8	Y51 E52 V65 I69 I212 D213 V217 M218	Y51-A215 HydrophobicContact CD2-CB 4.09Å; E52-A215 WeakPolarHBondContact O-CB 3.47Å; E52-A215 PolarHBondContact O-N 2.9Å; V65-A215 HydrophobicContact CG1-CB 3.62Å; I69-A215 HydrophobicContact CD1-CB 3.93Å; I69-A215 HydrophobicContact CG1-CB 4.18Å; I212-A215 HydrophobicContact CG2-CB 4.17Å; D213-A215 VanDerWaalsContact C-N 3.29Å; D213-A215 PolarHBondContact O-N 2.96Å; A215-V217 PolarHBondContact O-N 2.64Å; A215-M218 WeakPolarHBondContact O-CB 2.89Å; A215-M218 PolarHBondContact O-N 3.25Å
216	E	94.9	Very high	90.5	Very high	17 Å²	17	41.7 Å²	41.7	8%	0.079	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-63.3	-19.3	173.7	73.7	-69.7	168.7	0	0	114.3	V53 N54 L61 V65 R68 R214 M218	V53-E216 WeakPolarHBondContact CA-OE2 3.45Å; V53-E216 HydrophobicContact CG1-CB 4.09Å; N54-E216 HydrophobicContact CB-CG 4.33Å; N54-E216 WeakPolarHBondContact CB-OE1 3.41Å; N54-E216 PolarHBondContact N-OE2 2.02Å; L61-E216 HydrophobicContact CD2-CB 4.25Å; V65-E216 HydrophobicContact CG2-CB 4.01Å; R68-E216 PolarHBondContact NH1-O 2.94Å; R214-E216 WeakPolarHBondContact CA-OE2 3.04Å; R214-E216 IonicContact CZ-OE1 2.74Å; R214-E216 IonicContact NE-OE1 2.77Å; R214-E216 PolarHBondContact NE-OE1 2.97Å; R214-E216 IonicContact NE-OE2 3.06Å; R214-E216 IonicContact NH2-OE1 2.66Å; R214-E216 PolarHBondContact NH2-OE1 2.82Å; R214-E216 PolarHBondContact O-N 2.82Å; E216-M218 PolarHBondContact O-N 2.94Å
217	V	94.2	Very high	92.3	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.024	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-65.3	-29	176.4	176.7	0	0	0	0	111.6	M145 Y147 F185 R214 A215	M145-V217 HydrophobicContact CB-CB 3.93Å; M145-V217 HydrophobicContact CB-CG1 4.17Å; M145-V217 HydrophobicContact CB-CG2 4.27Å; Y147-V217 HydrophobicContact CD1-CG1 4.15Å; Y147-V217 HydrophobicContact CD2-CB 4.38Å; Y147-V217 HydrophobicContact CD2-CG1 3.93Å; Y147-V217 HydrophobicContact CD2-CG2 3.91Å; Y147-V217 HydrophobicContact CE1-CG1 4.11Å; Y147-V217 HydrophobicContact CE2-CB 4.01Å; Y147-V217 HydrophobicContact CE2-CG1 3.88Å; Y147-V217 HydrophobicContact CE2-CG2 3.75Å; Y147-V217 HydrophobicContact CG-CG1 4.07Å; Y147-V217 PolarHBondContact OH-O 2.68Å; F185-V217 HydrophobicContact CB-CG1 4.36Å; F185-V217 HydrophobicContact CD1-CG1 4.33Å; F185-V217 WeakPolarHBondContact O-CG1 3.11Å; R214-V217 HydrophobicContact CB-CG2 4.31Å; R214-V217 WeakPolarHBondContact O-CB 3.33Å; R214-V217 VanDerWaalsContact O-CG2 3.29Å; R214-V217 WeakPolarHBondContact O-CG2 3.33Å; R214-V217 PolarHBondContact O-N 2.86Å; R214-V217 VanDerWaalsContact O-N 3.12Å; A215-V217 PolarHBondContact O-N 2.64Å
218	M	95	Very high	94.2	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.197	C	C	.	.	S	Bend	trans	-73.1	140.8	-179.4	-175.3	-172.1	-53.6	0	0	111.5	R68 I69 V72 M145 F185 A189 A192 I212 A215 E216	R68-M218 HydrophobicContact CB-SD 4.04Å; R68-M218 WeakPolarHBondContact CD-O 3.44Å; R68-M218 PolarHBondContact NH1-O 3.16Å; I69-M218 HydrophobicContact CD1-CE 3.85Å; I69-M218 HydrophobicContact CD1-SD 4.46Å; V72-M218 HydrophobicContact CG2-CE 3.92Å; V72-M218 HydrophobicContact CG2-SD 3.59Å; V72-M218 VanDerWaalsContact CG2-SD 3.59Å; M145-M218 HydrophobicContact CE-CE 3.49Å; M145-M218 VanDerWaalsContact CE-CE 3.49Å; M145-M218 HydrophobicContact SD-CB 4.27Å; M145-M218 HydrophobicContact SD-CE 3.92Å; F185-M218 HydrophobicContact CE1-CB 4.14Å; F185-M218 HydrophobicContact CE1-CG 4.1Å; A189-M218 WeakPolarHBondContact CA-SD 3.36Å; A189-M218 HydrophobicContact CB-CG 4.34Å; A189-M218 HydrophobicContact CB-SD 3.7Å; A192-M218 HydrophobicContact CB-CE 3.43Å; A192-M218 VanDerWaalsContact CB-CE 3.43Å; A192-M218 HydrophobicContact CB-SD 4.11Å; I212-M218 HydrophobicContact CD1-CE 4.31Å; A215-M218 WeakPolarHBondContact O-CB 2.89Å; A215-M218 PolarHBondContact O-N 3.25Å; E216-M218 PolarHBondContact O-N 2.94Å
219	L	96.6	Very high	95	Very high	76 Å²	76	45.3 Å²	45.3	40%	0.398	22%	0.221	S	C	.	.	B	Isolated β-bridge	trans	-98.6	164.1	174.8	-58.4	179	0	0	0	112.7	G187 Y188 A189	G187-L219 WeakPolarHBondContact O-CB 3.5Å; G187-L219 PolarHBondContact O-N 2.96Å; Y188-L219 CarbonylContact C-O 3.58Å; Y188-L219 VanDerWaalsContact CA-O 3.31Å; Y188-L219 WeakPolarHBondContact CA-O 3.41Å; Y188-L219 HydrophobicContact CD1-CB 3.63Å; Y188-L219 HydrophobicContact CE1-CB 4.04Å; Y188-L219 HydrophobicContact CE1-CD1 4.24Å; A189-L219 PolarHBondContact N-O 2.78Å
220	H	97.9	Very high	95.4	Very high	24 Å²	24	46 Å²	46	11%	0.111	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-72.9	136.3	172.7	-73.2	-80.6	0	0	0	112.1	D64 R68 Y188 F223 Y228	D64-H220 IonicContact OD1-CD2 3.67Å; D64-H220 IonicContact OD1-CE1 2.86Å; D64-H220 PolarHBondContact OD1-CE1 2.74Å; D64-H220 IonicContact OD1-NE2 3.6Å; D64-H220 PolarHBondContact OD1-NE2 2.8Å; D64-H220 IonicContact OD2-CD2 3.22Å; D64-H220 IonicContact OD2-CE1 2.73Å; D64-H220 IonicContact OD2-NE2 3.44Å; D64-H220 PolarHBondContact OD2-NE2 3.07Å; R68-H220 VanDerWaalsContact CG-CE1 3.49Å; R68-H220 WeakPolarHBondContact CG-CE1 3.29Å; R68-H220 PolarHBondContact NE-NE2 2.97Å; Y188-H220 WeakPolarHBondContact CD1-O 3.1Å; H220-F223 HydrophobicContact CB-CB 4.3Å; H220-F223 HydrophobicContact CB-CD2 4.17Å; H220-F223 AromaticContact CD2-CD2 3.66Å; H220-F223 AromaticContact CG-CD2 4Å; H220-Y228 AromaticContact CE1-CD2 3.83Å; H220-Y228 AromaticContact CE1-CE2 3.63Å; H220-Y228 AromaticContact ND1-CD2 3.6Å; H220-Y228 AromaticContact ND1-CE2 3.84Å; H220-Y228 AromaticContact NE2-CE2 3.88Å
221	D	94.7	Very high	95.7	Very high	61 Å²	61	46 Å²	46	33%	0.326	22%	0.224	S	C	.	.	S	Bend	trans	-58.5	-58.4	179.3	-67.4	-40.6	0	0	0	114	S71 Y188 A189 K190	S71-D221 PolarHBondContact OG-OD2 2.89Å; Y188-D221 WeakPolarHBondContact CB-OD1 3.45Å; A189-D221 PolarHBondContact N-OD1 3.31Å; K190-D221 WeakPolarHBondContact CB-OD1 3.4Å; K190-D221 PolarHBondContact N-OD1 3.44Å; K190-D221 PolarHBondContact N-OD2 3.06Å
222	N	95.6	Very high	95.9	Very high	113 Å²	113	50.2 Å²	50.2	60%	0.604	24%	0.24	S	C	*	.	S	Bend	trans	-134.5	86.1	177.8	-177.6	14.4	0	0	0	107.8	G224 G225	N222-G224 PolarHBondContact O-N 2.97Å; N222-G225 PolarHBondContact O-N 2.79Å
223	F	96.2	Very high	96	Very high	138 Å²	138	53.5 Å²	53.5	61%	0.605	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	127.1	-179.7	-170.4	-91.3	0	0	0	110.4	H220 G225 Y228	H220-F223 HydrophobicContact CB-CB 4.3Å; H220-F223 HydrophobicContact CB-CD2 4.17Å; H220-F223 AromaticContact CD2-CD2 3.66Å; H220-F223 AromaticContact CG-CD2 4Å; F223-G225 PolarHBondContact O-N 3.44Å; F223-Y228 HydrophobicContact CD2-CD2 4.09Å; F223-Y228 AromaticContact CD2-CE2 3.52Å; F223-Y228 HydrophobicContact CD2-CE2 3.52Å; F223-Y228 HydrophobicContact CE2-CD2 4.46Å; F223-Y228 AromaticContact CE2-CE2 3.47Å; F223-Y228 HydrophobicContact CE2-CE2 3.47Å; F223-Y228 VanDerWaalsContact CE2-CE2 3.47Å; F223-Y228 AromaticContact CE2-CZ 3.64Å; F223-Y228 WeakPolarHBondContact CE2-OH 3.48Å; F223-Y228 HydrophobicContact CG-CE2 4.33Å; F223-Y228 HydrophobicContact CZ-CE2 4.23Å; F223-Y228 AromaticContact CZ-CZ 3.94Å; F223-Y228 WeakPolarHBondContact CZ-OH 3.24Å
224	G	96.2	Very high	96.3	Very high	35 Å²	35	53.2 Å²	53.2	36%	0.361	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.3	1.5	-175.1	0	0	0	0	0	115.4	N222 W229	N222-G224 PolarHBondContact O-N 2.97Å; G224-W229 PolarHBondContact O-NE1 3.43Å
225	G	96.6	Very high	96.5	Very high	11 Å²	11	50 Å²	50	11%	0.113	24%	0.241	C	C	.	.	S	Bend	trans	-72.2	171.3	172.5	0	0	0	0	0	113.4	N222 F223 D227 Y228 W229	N222-G225 PolarHBondContact O-N 2.79Å; F223-G225 PolarHBondContact O-N 3.44Å; G225-D227 VanDerWaalsContact C-N 3.25Å; G225-D227 PolarHBondContact O-N 3.45Å; G225-Y228 WeakPolarHBondContact O-CB 3.49Å; G225-Y228 PolarHBondContact O-N 3.35Å; G225-Y228 VanDerWaalsContact O-N 3.14Å; G225-W229 PolarHBondContact O-N 3.47Å
226	K	95.5	Very high	96.6	Very high	150 Å²	150	52 Å²	52	65%	0.652	25%	0.248	S	C	*	.	H	α-helix	trans	-51.2	-47.7	176.9	179.2	-177.6	-175.3	-60.9	0	112	Y228 W229 D230	K226-Y228 VanDerWaalsContact C-N 3.29Å; K226-Y228 PolarHBondContact O-N 3.29Å; K226-W229 PolarHBondContact O-N 2.84Å; K226-D230 IonicContact NZ-OD2 2.8Å; K226-D230 PolarHBondContact NZ-OD2 3.14Å; K226-D230 WeakPolarHBondContact O-CB 3.49Å; K226-D230 PolarHBondContact O-N 3.5Å
227	D	96.1	Very high	96.8	Very high	61 Å²	61	56.3 Å²	56.3	33%	0.326	26%	0.264	S	S	.	.	H	α-helix	trans	-67.4	-30.3	-174.6	-99.9	13.8	0	0	0	112.3	R74 K78 G225	R74-D227 IonicContact CZ-OD1 3.98Å; R74-D227 VanDerWaalsContact CZ-OD1 3.23Å; R74-D227 IonicContact CZ-OD2 2.66Å; R74-D227 IonicContact NE-OD2 3.21Å; R74-D227 IonicContact NH1-OD1 3.65Å; R74-D227 PolarHBondContact NH1-OD1 2.81Å; R74-D227 IonicContact NH1-OD2 3.71Å; R74-D227 VanDerWaalsContact NH2-CA 3.29Å; R74-D227 PolarHBondContact NH2-O 3.24Å; R74-D227 IonicContact NH2-OD1 3.61Å; R74-D227 PolarHBondContact NH2-OD1 2.81Å; R74-D227 IonicContact NH2-OD2 2.99Å; R74-D227 PolarHBondContact NH2-OD2 2.77Å; R74-D227 VanDerWaalsContact NH2-OD2 3.1Å; K78-D227 IonicContact NZ-OD2 2.64Å; K78-D227 PolarHBondContact NZ-OD2 2.92Å; G225-D227 VanDerWaalsContact C-N 3.25Å; G225-D227 PolarHBondContact O-N 3.45Å
228	Y	97.9	Very high	97	Very high	34 Å²	34	56.2 Å²	56.2	13%	0.133	26%	0.264	C	S	.	.	H	α-helix	trans	-70.8	-49.7	170.2	169.6	-84.2	0	0	0	111.1	M67 H220 F223 G225 K226 D230 C231 R232	M67-Y228 HydrophobicContact CE-CD1 4.14Å; M67-Y228 HydrophobicContact CE-CD2 3.43Å; M67-Y228 VanDerWaalsContact CE-CD2 3.43Å; M67-Y228 HydrophobicContact CE-CE1 4.05Å; M67-Y228 HydrophobicContact CE-CE2 3.32Å; M67-Y228 HydrophobicContact CE-CG 3.84Å; M67-Y228 WeakPolarHBondContact CE-O 3.49Å; H220-Y228 AromaticContact CE1-CD2 3.83Å; H220-Y228 AromaticContact CE1-CE2 3.63Å; H220-Y228 AromaticContact ND1-CD2 3.6Å; H220-Y228 AromaticContact ND1-CE2 3.84Å; H220-Y228 AromaticContact NE2-CE2 3.88Å; F223-Y228 HydrophobicContact CD2-CD2 4.09Å; F223-Y228 AromaticContact CD2-CE2 3.52Å; F223-Y228 HydrophobicContact CD2-CE2 3.52Å; F223-Y228 HydrophobicContact CE2-CD2 4.46Å; F223-Y228 AromaticContact CE2-CE2 3.47Å; F223-Y228 HydrophobicContact CE2-CE2 3.47Å; F223-Y228 VanDerWaalsContact CE2-CE2 3.47Å; F223-Y228 AromaticContact CE2-CZ 3.64Å; F223-Y228 WeakPolarHBondContact CE2-OH 3.48Å; F223-Y228 HydrophobicContact CG-CE2 4.33Å; F223-Y228 HydrophobicContact CZ-CE2 4.23Å; F223-Y228 AromaticContact CZ-CZ 3.94Å; F223-Y228 WeakPolarHBondContact CZ-OH 3.24Å; G225-Y228 WeakPolarHBondContact O-CB 3.49Å; G225-Y228 PolarHBondContact O-N 3.35Å; G225-Y228 VanDerWaalsContact O-N 3.14Å; K226-Y228 VanDerWaalsContact C-N 3.29Å; K226-Y228 PolarHBondContact O-N 3.29Å; Y228-D230 PolarHBondContact O-N 3.47Å; Y228-C231 WeakPolarHBondContact O-CB 3.46Å; Y228-C231 PolarHBondContact O-N 3.31Å; Y228-R232 PolarHBondContact O-N 3.34Å
229	W	97	Very high	97.1	Very high	139 Å²	139	58.7 Å²	58.7	53%	0.527	29%	0.285	S	S	.	.	H	α-helix	trans	-68.9	-34	-177.7	-77.6	116.1	0	0	0	113.6	G224 G225 K226 C231 R232 K233	G224-W229 PolarHBondContact O-NE1 3.43Å; G225-W229 PolarHBondContact O-N 3.47Å; K226-W229 PolarHBondContact O-N 2.84Å; W229-C231 VanDerWaalsContact C-N 3.35Å; W229-R232 HydrophobicContact CE3-CB 4.17Å; W229-R232 HydrophobicContact CE3-CG 4.19Å; W229-R232 HydrophobicContact CZ3-CG 4.17Å; W229-R232 PolarHBondContact O-N 3.08Å; W229-K233 WeakPolarHBondContact O-CB 3.35Å; W229-K233 WeakPolarHBondContact O-CE 3.45Å; W229-K233 VanDerWaalsContact O-CG 3.27Å; W229-K233 WeakPolarHBondContact O-CG 3.41Å; W229-K233 PolarHBondContact O-N 3.31Å
230	D	97.4	Very high	97.1	Very high	20 Å²	20	61.5 Å²	61.5	11%	0.107	30%	0.296	C	S	.	.	H	α-helix	trans	-63.2	-42.9	173.4	-75.3	-16.1	0	0	0	111.1	F121 K226 Y228 R232 K233 S234 W268	F121-D230 HydrophobicContact CD2-CB 4.17Å; F121-D230 HydrophobicContact CE2-CB 4Å; K226-D230 IonicContact NZ-OD2 2.8Å; K226-D230 PolarHBondContact NZ-OD2 3.14Å; K226-D230 WeakPolarHBondContact O-CB 3.49Å; K226-D230 PolarHBondContact O-N 3.5Å; Y228-D230 PolarHBondContact O-N 3.47Å; D230-R232 VanDerWaalsContact C-N 3.35Å; D230-K233 PolarHBondContact O-N 2.95Å; D230-K233 WeakPolarHBondContact OD1-CE 3.19Å; D230-K233 IonicContact OD1-NZ 3.79Å; D230-K233 PolarHBondContact OD1-NZ 2.83Å; D230-S234 PolarHBondContact O-N 2.99Å; D230-W268 HydrophobicContact CB-CH2 3.91Å; D230-W268 HydrophobicContact CB-CZ3 3.81Å; D230-W268 WeakPolarHBondContact O-CZ3 3.49Å
231	C	98.3	Very high	97.1	Very high	2 Å²	2	63.5 Å²	63.5	1%	0.014	31%	0.307	C	S	.	.	H	α-helix	trans	-63.1	-42.5	172.9	-164.1	0	0	0	0	111.6	M67 F121 Y228 W229 K233 S234	M67-C231 HydrophobicContact CB-CB 4.45Å; M67-C231 HydrophobicContact CE-CB 4.47Å; M67-C231 HydrophobicContact CG-CB 4.32Å; F121-C231 HydrophobicContact CD1-CB 4.14Å; F121-C231 HydrophobicContact CD2-CB 4.27Å; F121-C231 HydrophobicContact CE1-CB 3.63Å; F121-C231 WeakPolarHBondContact CE1-SG 3.43Å; F121-C231 HydrophobicContact CE2-CB 3.72Å; F121-C231 HydrophobicContact CG-CB 4.44Å; F121-C231 HydrophobicContact CZ-CB 3.38Å; Y228-C231 WeakPolarHBondContact O-CB 3.46Å; Y228-C231 PolarHBondContact O-N 3.31Å; W229-C231 VanDerWaalsContact C-N 3.35Å; C231-K233 VanDerWaalsContact C-N 3.33Å; C231-K233 PolarHBondContact O-N 2.99Å; C231-S234 PolarHBondContact O-N 2.9Å; C231-S234 PolarHBondContact O-OG 3.46Å
232	R	97.9	Very high	97.2	Very high	88 Å²	88	64.3 Å²	64.3	33%	0.332	31%	0.305	S	S	.	.	H	α-helix	trans	-65.1	-38.5	179.9	-178.9	56.5	-171.2	82.2	1.7	112	M67 Y228 W229 D230 M235	M67-R232 HydrophobicContact CE-CB 3.77Å; M67-R232 HydrophobicContact SD-CB 4.01Å; M67-R232 HydrophobicContact SD-CG 4.46Å; Y228-R232 PolarHBondContact O-N 3.34Å; W229-R232 HydrophobicContact CE3-CB 4.17Å; W229-R232 HydrophobicContact CE3-CG 4.19Å; W229-R232 HydrophobicContact CZ3-CG 4.17Å; W229-R232 PolarHBondContact O-N 3.08Å; D230-R232 VanDerWaalsContact C-N 3.35Å; R232-M235 PolarHBondContact O-N 3.18Å
233	K	96.7	Very high	97.3	Very high	72 Å²	72	61.7 Å²	61.7	31%	0.313	30%	0.3	S	S	.	.	H	α-helix	trans	-68.5	-33.4	176.7	-76.5	-178.9	-62.3	172.7	0	112.4	W229 D230 C231 M235 R236 W268	W229-K233 WeakPolarHBondContact O-CB 3.35Å; W229-K233 WeakPolarHBondContact O-CE 3.45Å; W229-K233 VanDerWaalsContact O-CG 3.27Å; W229-K233 WeakPolarHBondContact O-CG 3.41Å; W229-K233 PolarHBondContact O-N 3.31Å; D230-K233 PolarHBondContact O-N 2.95Å; D230-K233 WeakPolarHBondContact OD1-CE 3.19Å; D230-K233 IonicContact OD1-NZ 3.79Å; D230-K233 PolarHBondContact OD1-NZ 2.83Å; C231-K233 VanDerWaalsContact C-N 3.33Å; C231-K233 PolarHBondContact O-N 2.99Å; K233-M235 PolarHBondContact O-N 2.92Å; K233-R236 WeakPolarHBondContact O-CD 3.34Å; K233-R236 WeakPolarHBondContact O-CG 3.13Å; K233-W268 HydrophobicContact CB-CB 4.39Å; K233-W268 HydrophobicContact CB-CD2 4.15Å; K233-W268 HydrophobicContact CB-CE3 3.59Å; K233-W268 HydrophobicContact CB-CG 4.5Å; K233-W268 HydrophobicContact CB-CZ3 4.28Å; K233-W268 HydrophobicContact CD-CE3 4.36Å
234	S	98.2	Very high	97.5	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-66.4	-22.6	178.5	77.4	0	0	0	0	113	S117 L118 D230 C231 R236	S117-S234 CarbonylContact C-O 3.42Å; S117-S234 WeakPolarHBondContact CB-O 3.45Å; S117-S234 WeakPolarHBondContact O-CB 3.47Å; L118-S234 WeakPolarHBondContact CD2-O 3.03Å; L118-S234 PolarHBondContact N-O 3.11Å; D230-S234 PolarHBondContact O-N 2.99Å; C231-S234 PolarHBondContact O-N 2.9Å; C231-S234 PolarHBondContact O-OG 3.46Å; S234-R236 PolarHBondContact O-N 2.79Å
235	M	98.4	Very high	97.5	Very high	5 Å²	5	60.4 Å²	60.4	3%	0.025	30%	0.301	C	S	.	.			trans	-78.1	61.9	174.4	-56.8	178.3	81.1	0	0	112.2	R63 Y66 M67 W109 F113 L118 R232 K233	R63-M235 HydrophobicContact CB-CE 3.75Å; R63-M235 HydrophobicContact CG-CE 3.86Å; Y66-M235 HydrophobicContact CD1-CE 3.62Å; Y66-M235 HydrophobicContact CD1-CG 4.03Å; Y66-M235 HydrophobicContact CD1-SD 3.58Å; Y66-M235 VanDerWaalsContact CD1-SD 3.58Å; Y66-M235 HydrophobicContact CE1-CE 4.26Å; Y66-M235 HydrophobicContact CE1-CG 3.78Å; Y66-M235 HydrophobicContact CE1-SD 3.96Å; Y66-M235 HydrophobicContact CG-CE 4.21Å; M67-M235 HydrophobicContact CG-SD 3.78Å; M67-M235 HydrophobicContact SD-SD 4.23Å; W109-M235 HydrophobicContact CZ3-CE 4.21Å; F113-M235 HydrophobicContact CD1-CB 4.21Å; F113-M235 HydrophobicContact CE1-CB 4.17Å; F113-M235 HydrophobicContact CE1-CE 4.24Å; F113-M235 HydrophobicContact CZ-CE 4.16Å; L118-M235 HydrophobicContact CD2-CB 4.24Å; L118-M235 HydrophobicContact CD2-CG 3.8Å; R232-M235 PolarHBondContact O-N 3.18Å; K233-M235 PolarHBondContact O-N 2.92Å
236	R	97.9	Very high	97.6	Very high	43 Å²	43	62.7 Å²	62.7	16%	0.162	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-73.5	136.3	173	-57.5	-70.9	-78.4	168	1.8	109.3	F113 D114 S117 K233 S234 M264 W268	F113-R236 CarbonylContact C-O 3.24Å; F113-R236 VanDerWaalsContact CA-O 3.25Å; F113-R236 WeakPolarHBondContact CA-O 3.4Å; D114-R236 HydrophobicContact CB-CB 4.33Å; D114-R236 PolarHBondContact N-O 3.31Å; S117-R236 WeakPolarHBondContact OG-CG 3.36Å; K233-R236 WeakPolarHBondContact O-CD 3.34Å; K233-R236 WeakPolarHBondContact O-CG 3.13Å; S234-R236 PolarHBondContact O-N 2.79Å; R236-M264 PolarHBondContact NH1-SD 3.07Å; R236-M264 PolarHBondContact NH2-SD 3.32Å; R236-M264 VanDerWaalsContact NH2-SD 3.37Å; R236-W268 HydrophobicContact CG-CB 4.34Å
237	Y	98.2	Very high	97.7	Very high	106 Å²	106	61.9 Å²	61.9	42%	0.416	31%	0.309	S	S	.	.	B	Isolated β-bridge	trans	-64.4	152.6	174	-63	-56.9	0	0	0	110.9	R63 W112 F113 R242	R63-Y237 PolarHBondContact NH1-OH 2.81Å; R63-Y237 PolarHBondContact NH2-OH 3.45Å; W112-Y237 VanDerWaalsContact O-CA 3.3Å; W112-Y237 WeakPolarHBondContact O-CA 3.44Å; F113-Y237 HydrophobicContact CD1-CD1 4.33Å; F113-Y237 AromaticContact CE1-CD1 3.99Å; F113-Y237 HydrophobicContact CE1-CD1 3.99Å; F113-Y237 HydrophobicContact CE1-CE1 4.03Å; Y237-R242 PolarHBondContact O-NE 2.98Å
238	S	97.9	Very high	97.9	Very high	2 Å²	2	65.8 Å²	65.8	1%	0.014	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-54.6	153.2	176.4	61.2	0	0	0	0	111.5	K110 L111 W112 E240 L241 R242	K110-S238 WeakPolarHBondContact O-CB 3.06Å; L111-S238 PolarHBondContact O-OG 2.66Å; W112-S238 PolarHBondContact O-N 3.47Å; S238-E240 PolarHBondContact O-N 3.04Å; S238-L241 PolarHBondContact O-N 3.34Å; S238-L241 WeakPolarHBondContact OG-CB 3.4Å; S238-L241 WeakPolarHBondContact OG-CD1 3.43Å; S238-L241 VanDerWaalsContact OG-CG 3.25Å; S238-L241 WeakPolarHBondContact OG-CG 3.29Å; S238-L241 PolarHBondContact OG-N 2.83Å; S238-R242 WeakPolarHBondContact O-CG 3.43Å; S238-R242 PolarHBondContact O-N 2.77Å; S238-R242 VanDerWaalsContact O-N 3.12Å
239	A	97.1	Very high	97.9	Very high	53 Å²	53	66.4 Å²	66.4	44%	0.438	32%	0.322	S	S	.	.	H	α-helix	trans	-63.7	-36.8	-178.7	0	0	0	0	0	111.3	R242 A243	A239-R242 PolarHBondContact O-N 3.07Å; A239-A243 WeakPolarHBondContact O-CB 3.38Å; A239-A243 PolarHBondContact O-N 3.42Å
240	E	98	Very high	97.9	Very high	134 Å²	134	62.7 Å²	62.7	63%	0.626	32%	0.321	S	S	*	.	H	α-helix	trans	-62.5	-47	178.1	-61.6	80.4	179.5	0	0	111.3	S238 R242 A243 V244	S238-E240 PolarHBondContact O-N 3.04Å; E240-R242 PolarHBondContact O-N 2.9Å; E240-A243 PolarHBondContact O-N 3.09Å; E240-V244 WeakPolarHBondContact O-CG2 2.99Å; E240-V244 PolarHBondContact O-N 2.89Å; E240-V244 VanDerWaalsContact O-N 3.13Å
241	L	98	Very high	98	Very high	67 Å²	67	69.1 Å²	69.1	35%	0.351	35%	0.348	S	S	.	.	H	α-helix	trans	-67.2	-37	177.6	-72.7	177.3	0	0	0	112.5	L111 W112 S238 A245	L111-L241 WeakPolarHBondContact O-CD1 3.41Å; W112-L241 HydrophobicContact CE3-CD1 3.66Å; W112-L241 HydrophobicContact CZ3-CD1 4.23Å; S238-L241 PolarHBondContact O-N 3.34Å; S238-L241 WeakPolarHBondContact OG-CB 3.4Å; S238-L241 WeakPolarHBondContact OG-CD1 3.43Å; S238-L241 VanDerWaalsContact OG-CG 3.25Å; S238-L241 WeakPolarHBondContact OG-CG 3.29Å; S238-L241 PolarHBondContact OG-N 2.83Å; L241-A245 WeakPolarHBondContact O-CB 3.3Å; L241-A245 PolarHBondContact O-N 2.89Å
242	R	97.1	Very high	98	Very high	77 Å²	77	74 Å²	74	29%	0.291	37%	0.371	S	S	.	.	H	α-helix	trans	-64.5	-44.7	175.1	-71.5	-175.9	-66.9	117.6	-4.7	111.1	Y237 S238 A239 E240 V244 A245 D246	Y237-R242 PolarHBondContact O-NE 2.98Å; S238-R242 WeakPolarHBondContact O-CG 3.43Å; S238-R242 PolarHBondContact O-N 2.77Å; S238-R242 VanDerWaalsContact O-N 3.12Å; A239-R242 PolarHBondContact O-N 3.07Å; E240-R242 PolarHBondContact O-N 2.9Å; R242-V244 VanDerWaalsContact C-N 3.33Å; R242-V244 PolarHBondContact O-N 3.22Å; R242-A245 PolarHBondContact O-N 3.43Å; R242-A245 VanDerWaalsContact O-N 3.11Å; R242-D246 WeakPolarHBondContact O-CB 3.47Å; R242-D246 VanDerWaalsContact O-CG 3.27Å; R242-D246 PolarHBondContact O-N 3.34Å
243	A	97.9	Very high	98	Very high	59 Å²	59	75 Å²	75	49%	0.488	38%	0.382	S	S	.	.	H	α-helix	trans	-58.3	-44.1	177.9	0	0	0	0	0	112.3	A239 E240 D246 E247	A239-A243 WeakPolarHBondContact O-CB 3.38Å; A239-A243 PolarHBondContact O-N 3.42Å; E240-A243 PolarHBondContact O-N 3.09Å; A243-D246 PolarHBondContact O-N 3.38Å; A243-E247 WeakPolarHBondContact O-CB 3.4Å; A243-E247 PolarHBondContact O-N 2.85Å
244	V	98.4	Very high	98	Very high	95 Å²	95	78.7 Å²	78.7	58%	0.576	41%	0.405	S	S	*	.	H	α-helix	trans	-63.2	-41.9	175.5	174	0	0	0	0	111.6	E240 R242 Y248	E240-V244 WeakPolarHBondContact O-CG2 2.99Å; E240-V244 PolarHBondContact O-N 2.89Å; E240-V244 VanDerWaalsContact O-N 3.13Å; R242-V244 VanDerWaalsContact C-N 3.33Å; R242-V244 PolarHBondContact O-N 3.22Å; V244-Y248 PolarHBondContact O-N 2.83Å; V244-Y248 VanDerWaalsContact O-N 3.1Å
245	A	98.1	Very high	98	Very high	50 Å²	50	79.4 Å²	79.4	41%	0.413	41%	0.411	S	S	.	.	H	α-helix	trans	-66.7	-41.2	178.1	0	0	0	0	0	112.3	L241 R242 Y248 R249	L241-A245 WeakPolarHBondContact O-CB 3.3Å; L241-A245 PolarHBondContact O-N 2.89Å; R242-A245 PolarHBondContact O-N 3.43Å; R242-A245 VanDerWaalsContact O-N 3.11Å; A245-Y248 PolarHBondContact O-N 2.98Å; A245-R249 WeakPolarHBondContact O-CG 3.45Å; A245-R249 PolarHBondContact O-N 2.95Å
246	D	98	Very high	97.9	Very high	60 Å²	60	82.6 Å²	82.6	32%	0.321	43%	0.428	S	S	.	.	H	α-helix	trans	-69.4	-36.7	179.1	-67.5	-30.7	0	0	0	111.5	R242 A243 R249 A250	R242-D246 WeakPolarHBondContact O-CB 3.47Å; R242-D246 VanDerWaalsContact O-CG 3.27Å; R242-D246 PolarHBondContact O-N 3.34Å; A243-D246 PolarHBondContact O-N 3.38Å; D246-R249 PolarHBondContact O-N 3.42Å; D246-R249 IonicContact OD1-CZ 3.45Å; D246-R249 IonicContact OD1-NH1 3.96Å; D246-R249 PolarHBondContact OD1-NH1 3.49Å; D246-A250 WeakPolarHBondContact O-CB 3.49Å; D246-A250 PolarHBondContact O-N 2.77Å
247	E	98.5	Very high	97.8	Very high	132 Å²	132	82.6 Å²	82.6	62%	0.617	43%	0.431	S	S	*	.	H	α-helix	trans	-60.6	-46.7	171.1	-175.6	-177.1	171.7	0	0	111.2	A243 A250 K251	A243-E247 WeakPolarHBondContact O-CB 3.4Å; A243-E247 PolarHBondContact O-N 2.85Å; E247-A250 PolarHBondContact O-N 3.16Å; E247-K251 VanDerWaalsContact O-CB 3.29Å; E247-K251 WeakPolarHBondContact O-CB 3.49Å; E247-K251 PolarHBondContact O-N 3.29Å
248	Y	98.7	Very high	97.6	Very high	143 Å²	143	83.6 Å²	83.6	56%	0.561	45%	0.448	S	S	*	.	H	α-helix	trans	-62.5	-43.9	177.7	-171.1	-86.2	0	0	0	111.8	V244 A245 A250 K251 E252 L253	V244-Y248 PolarHBondContact O-N 2.83Å; V244-Y248 VanDerWaalsContact O-N 3.1Å; A245-Y248 PolarHBondContact O-N 2.98Å; Y248-A250 PolarHBondContact O-N 2.72Å; Y248-K251 PolarHBondContact O-N 2.83Å; Y248-E252 HydrophobicContact CD1-CB 4.33Å; Y248-E252 HydrophobicContact CD1-CG 4.45Å; Y248-E252 HydrophobicContact CD2-CG 4.01Å; Y248-E252 HydrophobicContact CE1-CB 4Å; Y248-E252 HydrophobicContact CE1-CG 4.24Å; Y248-E252 HydrophobicContact CE2-CB 4.43Å; Y248-E252 HydrophobicContact CE2-CG 3.78Å; Y248-E252 HydrophobicContact CG-CG 4.34Å; Y248-E252 WeakPolarHBondContact O-CB 3.48Å; Y248-E252 PolarHBondContact O-N 3.42Å; Y248-L253 HydrophobicContact CD1-CD1 4.39Å; Y248-L253 HydrophobicContact CE1-CD1 4.4Å; Y248-L253 HydrophobicContact CE1-CG 4.4Å
249	R	98.3	Very high	97.5	Very high	47 Å²	47	86.6 Å²	86.6	18%	0.177	47%	0.469	C	S	.	.	H	α-helix	trans	-57.8	-48.5	175.7	-77.4	170.8	62.2	-164.2	6.5	111.8	A245 D246 K251 L253 N254 S255 D256 D257 D260	A245-R249 WeakPolarHBondContact O-CG 3.45Å; A245-R249 PolarHBondContact O-N 2.95Å; D246-R249 PolarHBondContact O-N 3.42Å; D246-R249 IonicContact OD1-CZ 3.45Å; D246-R249 IonicContact OD1-NH1 3.96Å; D246-R249 PolarHBondContact OD1-NH1 3.49Å; R249-K251 PolarHBondContact O-N 3Å; R249-L253 HydrophobicContact CG-CD1 4.37Å; R249-L253 CarbonylContact O-C 3.49Å; R249-L253 WeakPolarHBondContact O-CA 3.37Å; R249-L253 WeakPolarHBondContact O-CB 3.44Å; R249-L253 PolarHBondContact O-N 2.85Å; R249-N254 PolarHBondContact O-N 2.81Å; R249-N254 VanDerWaalsContact O-N 3.13Å; R249-S255 CarbonylContact C-O 3.55Å; R249-S255 VanDerWaalsContact C-O 3.24Å; R249-S255 WeakPolarHBondContact CB-O 3.45Å; R249-S255 PolarHBondContact NE-OG 3.19Å; R249-S255 PolarHBondContact NH2-OG 3.46Å; R249-S255 PolarHBondContact O-N 2.83Å; R249-S255 VanDerWaalsContact O-N 3.13Å; R249-D256 PolarHBondContact NH2-O 2.96Å; R249-D257 IonicContact CZ-OD1 2.81Å; R249-D257 IonicContact NH1-OD1 2.87Å; R249-D257 PolarHBondContact NH1-OD1 3.37Å; R249-D257 IonicContact NH2-OD1 3.83Å; R249-D257 PolarHBondContact NH2-OD1 3.02Å; R249-D260 IonicContact CZ-OD2 3.71Å; R249-D260 IonicContact NE-OD2 3.96Å; R249-D260 IonicContact NH2-OD2 2.72Å; R249-D260 PolarHBondContact NH2-OD2 2.85Å
250	A	98	Very high	97.4	Very high	61 Å²	61	87.7 Å²	87.7	50%	0.504	47%	0.467	S	S	.	.	H	α-helix	trans	-63.6	-44.2	-178.6	0	0	0	0	0	111.2	D246 E247 Y248 S255	D246-A250 WeakPolarHBondContact O-CB 3.49Å; D246-A250 PolarHBondContact O-N 2.77Å; E247-A250 PolarHBondContact O-N 3.16Å; Y248-A250 PolarHBondContact O-N 2.72Å; A250-S255 WeakPolarHBondContact CA-O 3.38Å; A250-S255 PolarHBondContact N-O 3.22Å
251	K	98.1	Very high	97.2	Very high	155 Å²	155	91.8 Å²	91.8	67%	0.674	48%	0.477	S	S	*	.	H	α-helix	trans	-77.1	-44	-173.2	-172.5	-175.2	171.3	-167.2	0	113.6	E247 Y248 R249	E247-K251 VanDerWaalsContact O-CB 3.29Å; E247-K251 WeakPolarHBondContact O-CB 3.49Å; E247-K251 PolarHBondContact O-N 3.29Å; Y248-K251 PolarHBondContact O-N 2.83Å; R249-K251 PolarHBondContact O-N 3Å
252	E	98.4	Very high	96.9	Very high	104 Å²	104	91.7 Å²	91.7	49%	0.486	48%	0.479	S	S	.	.	H	α-helix	trans	-106	-22.8	-168.6	-54.2	-60.9	152.9	0	0	112.7	Y248	Y248-E252 HydrophobicContact CD1-CB 4.33Å; Y248-E252 HydrophobicContact CD1-CG 4.45Å; Y248-E252 HydrophobicContact CD2-CG 4.01Å; Y248-E252 HydrophobicContact CE1-CB 4Å; Y248-E252 HydrophobicContact CE1-CG 4.24Å; Y248-E252 HydrophobicContact CE2-CB 4.43Å; Y248-E252 HydrophobicContact CE2-CG 3.78Å; Y248-E252 HydrophobicContact CG-CG 4.34Å; Y248-E252 WeakPolarHBondContact O-CB 3.48Å; Y248-E252 PolarHBondContact O-N 3.42Å
253	L	98.1	Very high	96.5	Very high	109 Å²	109	92.7 Å²	92.7	57%	0.571	50%	0.495	S	S	*	.	H	α-helix	trans	-117.8	0.1	-171.8	-52.8	179	0	0	0	113.7	Y248 R249 S255	Y248-L253 HydrophobicContact CD1-CD1 4.39Å; Y248-L253 HydrophobicContact CE1-CD1 4.4Å; Y248-L253 HydrophobicContact CE1-CG 4.4Å; R249-L253 HydrophobicContact CG-CD1 4.37Å; R249-L253 CarbonylContact O-C 3.49Å; R249-L253 WeakPolarHBondContact O-CA 3.37Å; R249-L253 WeakPolarHBondContact O-CB 3.44Å; R249-L253 PolarHBondContact O-N 2.85Å; L253-S255 PolarHBondContact O-N 2.82Å
254	N	97	Very high	96.1	Very high	150 Å²	150	93.8 Å²	93.8	80%	0.802	49%	0.492	S	S	*	.			trans	47.6	46.4	-174.3	-172.6	57.9	0	0	0	111.5	R249	R249-N254 PolarHBondContact O-N 2.81Å; R249-N254 VanDerWaalsContact O-N 3.13Å
255	S	97.8	Very high	95.7	Very high	16 Å²	16	92.4 Å²	92.4	11%	0.112	48%	0.481	C	S	.	.			trans	-130.4	136.5	-168.3	158.6	0	0	0	0	110.1	R249 A250 L253 D260	R249-S255 CarbonylContact C-O 3.55Å; R249-S255 VanDerWaalsContact C-O 3.24Å; R249-S255 WeakPolarHBondContact CB-O 3.45Å; R249-S255 PolarHBondContact NE-OG 3.19Å; R249-S255 PolarHBondContact NH2-OG 3.46Å; R249-S255 PolarHBondContact O-N 2.83Å; R249-S255 VanDerWaalsContact O-N 3.13Å; A250-S255 WeakPolarHBondContact CA-O 3.38Å; A250-S255 PolarHBondContact N-O 3.22Å; L253-S255 PolarHBondContact O-N 2.82Å; S255-D260 WeakPolarHBondContact CB-OD2 3.3Å; S255-D260 PolarHBondContact OG-OD2 3.48Å
256	D	97.2	Very high	95.3	Very high	72 Å²	72	96.4 Å²	96.4	39%	0.385	50%	0.496	S	S	.	.			trans	-153.2	165.4	173.8	68.6	75.8	0	0	0	110.4	R249 V258 S259 D260	R249-D256 PolarHBondContact NH2-O 2.96Å; D256-V258 PolarHBondContact O-N 3.04Å; D256-V258 VanDerWaalsContact OD1-CA 3.3Å; D256-V258 WeakPolarHBondContact OD1-CA 3.41Å; D256-V258 VanDerWaalsContact OD1-CB 3.25Å; D256-V258 WeakPolarHBondContact OD1-CB 3.37Å; D256-V258 PolarHBondContact OD1-N 2.97Å; D256-S259 PolarHBondContact N-OG 3.43Å; D256-S259 PolarHBondContact O-N 2.91Å; D256-S259 PolarHBondContact O-OG 2.95Å; D256-S259 PolarHBondContact OD1-N 3.18Å; D256-S259 PolarHBondContact OD1-OG 3.47Å; D256-S259 WeakPolarHBondContact OD2-CB 3.48Å; D256-S259 PolarHBondContact OD2-OG 2.77Å; D256-D260 WeakPolarHBondContact O-CB 3.38Å; D256-D260 PolarHBondContact O-N 3.42Å
257	D	94.8	Very high	95.2	Very high	43 Å²	43	94.7 Å²	94.7	23%	0.23	49%	0.486	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-24	-175.7	-78	-12.8	0	0	0	114.5	R249 R261 T262	R249-D257 IonicContact CZ-OD1 2.81Å; R249-D257 IonicContact NH1-OD1 2.87Å; R249-D257 PolarHBondContact NH1-OD1 3.37Å; R249-D257 IonicContact NH2-OD1 3.83Å; R249-D257 PolarHBondContact NH2-OD1 3.02Å; D257-R261 CarbonylContact O-C 3.59Å; D257-R261 WeakPolarHBondContact O-CA 3.35Å; D257-R261 PolarHBondContact O-N 3.01Å; D257-R261 VanDerWaalsContact O-N 3.16Å; D257-T262 WeakPolarHBondContact CA-OG1 3.4Å; D257-T262 PolarHBondContact O-N 3.29Å; D257-T262 PolarHBondContact OD1-OG1 2.97Å
258	V	94.4	Very high	95.1	Very high	127 Å²	127	88.9 Å²	88.9	77%	0.77	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-50.5	178.8	-178.3	0	0	0	0	109.9	D256 D260 R261	D256-V258 PolarHBondContact O-N 3.04Å; D256-V258 VanDerWaalsContact OD1-CA 3.3Å; D256-V258 WeakPolarHBondContact OD1-CA 3.41Å; D256-V258 VanDerWaalsContact OD1-CB 3.25Å; D256-V258 WeakPolarHBondContact OD1-CB 3.37Å; D256-V258 PolarHBondContact OD1-N 2.97Å; V258-D260 VanDerWaalsContact C-N 3.35Å; V258-R261 PolarHBondContact O-N 3.39Å
259	S	95.1	Very high	95	Very high	65 Å²	65	88.7 Å²	88.7	46%	0.455	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-40	178.8	55.4	0	0	0	0	111.8	D256 R261	D256-S259 PolarHBondContact N-OG 3.43Å; D256-S259 PolarHBondContact O-N 2.91Å; D256-S259 PolarHBondContact O-OG 2.95Å; D256-S259 PolarHBondContact OD1-N 3.18Å; D256-S259 PolarHBondContact OD1-OG 3.47Å; D256-S259 WeakPolarHBondContact OD2-CB 3.48Å; D256-S259 PolarHBondContact OD2-OG 2.77Å; S259-R261 VanDerWaalsContact C-N 3.31Å; S259-R261 PolarHBondContact O-N 3.43Å
260	D	95.3	Very high	94.8	Very high	75 Å²	75	92.6 Å²	92.6	40%	0.401	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-8.9	179.3	-60.4	-24.9	0	0	0	113.4	R249 S255 D256 V258 T262	R249-D260 IonicContact CZ-OD2 3.71Å; R249-D260 IonicContact NE-OD2 3.96Å; R249-D260 IonicContact NH2-OD2 2.72Å; R249-D260 PolarHBondContact NH2-OD2 2.85Å; S255-D260 WeakPolarHBondContact CB-OD2 3.3Å; S255-D260 PolarHBondContact OG-OD2 3.48Å; D256-D260 WeakPolarHBondContact O-CB 3.38Å; D256-D260 PolarHBondContact O-N 3.42Å; V258-D260 VanDerWaalsContact C-N 3.35Å; D260-T262 VanDerWaalsContact C-N 3.28Å; D260-T262 HydrophobicContact CB-CG2 4.1Å; D260-T262 PolarHBondContact O-N 2.84Å
261	R	93.4	Very high	94.2	Very high	221 Å²	221	92.3 Å²	92.3	83%	0.834	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	43.2	-174.7	-47.3	177.7	-144.5	170.8	6	112.1	D257 V258 S259 P263	D257-R261 CarbonylContact O-C 3.59Å; D257-R261 WeakPolarHBondContact O-CA 3.35Å; D257-R261 PolarHBondContact O-N 3.01Å; D257-R261 VanDerWaalsContact O-N 3.16Å; V258-R261 PolarHBondContact O-N 3.39Å; S259-R261 VanDerWaalsContact C-N 3.31Å; S259-R261 PolarHBondContact O-N 3.43Å; R261-P263 WeakPolarHBondContact O-CD 3.4Å
262	T	92.6	Very high	93.4	Very high	64 Å²	64	94.3 Å²	94.3	39%	0.393	47%	0.473	S	S	.	.			trans	-110.4	35.6	176	55.7	0	0	0	0	114.2	D257 D260 M264	D257-T262 WeakPolarHBondContact CA-OG1 3.4Å; D257-T262 PolarHBondContact O-N 3.29Å; D257-T262 PolarHBondContact OD1-OG1 2.97Å; D260-T262 VanDerWaalsContact C-N 3.28Å; D260-T262 HydrophobicContact CB-CG2 4.1Å; D260-T262 PolarHBondContact O-N 2.84Å; T262-M264 PolarHBondContact O-N 3.08Å
263	P	89.2	Confident	92.2	Very high	98 Å²	98	94.5 Å²	94.5	64%	0.636	48%	0.481	S	S	*	.			trans	-62.4	136.8	178.5	30.5	-35	0	0	0	109.8	R261	R261-P263 WeakPolarHBondContact O-CD 3.4Å
264	M	87.7	Confident	90.6	Very high	83 Å²	83	93.7 Å²	93.7	41%	0.409	48%	0.484	S	S	.	.			trans	-117.3	133.4	177.3	-64.4	-175.5	-79.2	0	0	110.8	R236 T262 M271	R236-M264 PolarHBondContact NH1-SD 3.07Å; R236-M264 PolarHBondContact NH2-SD 3.32Å; R236-M264 VanDerWaalsContact NH2-SD 3.37Å; T262-M264 PolarHBondContact O-N 3.08Å; M264-M271 HydrophobicContact CB-SD 4.49Å; M264-M271 HydrophobicContact CG-CE 4.41Å
265	D	91.5	Very high	88.9	Confident	65 Å²	65	96.1 Å²	96.1	35%	0.348	49%	0.488	S	S	.	.			trans	-67.6	139.8	170	-160.4	-59.7	0	0	0	109.7	D267 K270 M271	D265-D267 PolarHBondContact O-N 3.31Å; D265-D267 PolarHBondContact OD1-N 3.45Å; D265-K270 HydrophobicContact CB-CB 4.36Å; D265-K270 WeakPolarHBondContact OD2-CB 3.45Å; D265-M271 HydrophobicContact CB-CG 4.19Å
266	D	90.1	Very high	86.9	Confident	135 Å²	135	101.1 Å²	101.1	72%	0.722	52%	0.518	S	S	*	.	S	Bend	trans	-61.4	-35.8	174.6	-71.3	-30.9	0	0	0	111.2	W268	D266-W268 PolarHBondContact O-N 3.5Å
267	D	95.6	Very high	84.8	Confident	24 Å²	24	108.9 Å²	108.9	13%	0.128	54%	0.542	C	S	.	.	S	Bend	trans	-88.2	101.7	171.4	-173.3	-18.5	0	0	0	109.9	Q120 D265 R269 K270	Q120-D267 PolarHBondContact OE1-OD1 2.95Å; D265-D267 PolarHBondContact O-N 3.31Å; D265-D267 PolarHBondContact OD1-N 3.45Å; D267-R269 PolarHBondContact O-N 3.03Å; D267-R269 WeakPolarHBondContact OD1-CB 3.27Å; D267-R269 WeakPolarHBondContact OD1-CG 3.39Å; D267-R269 IonicContact OD1-CZ 2.82Å; D267-R269 PolarHBondContact OD1-N 3.47Å; D267-R269 IonicContact OD1-NE 2.95Å; D267-R269 PolarHBondContact OD1-NE 3.43Å; D267-R269 IonicContact OD1-NH2 3.52Å; D267-R269 IonicContact OD2-CZ 2.82Å; D267-R269 IonicContact OD2-NE 3.95Å; D267-R269 PolarHBondContact OD2-NE 3.02Å; D267-R269 IonicContact OD2-NH2 3.24Å; D267-R269 PolarHBondContact OD2-NH2 2.99Å; D267-K270 HydrophobicContact CB-CB 4.49Å; D267-K270 HydrophobicContact CB-CD 3.93Å; D267-K270 HydrophobicContact CB-CG 4.03Å; D267-K270 WeakPolarHBondContact O-CB 3.5Å; D267-K270 PolarHBondContact O-N 3.09Å; D267-K270 WeakPolarHBondContact OD2-CE 3.33Å
268	W	95.9	Very high	82.7	Confident	10 Å²	10	113.1 Å²	113.1	4%	0.038	56%	0.564	C	S	.	*	T	Hydrogen-bonded Turn	trans	-56.9	-18.3	179.9	68.7	-100.6	0	0	0	113.9	S117 Q120 F121 D230 K233 R236 D266 K270	S117-W268 PolarHBondContact O-NE1 3.06Å; Q120-W268 HydrophobicContact CB-CZ2 4.09Å; F121-W268 HydrophobicContact CB-CZ2 4.15Å; F121-W268 HydrophobicContact CD2-CH2 4.42Å; D230-W268 HydrophobicContact CB-CH2 3.91Å; D230-W268 HydrophobicContact CB-CZ3 3.81Å; D230-W268 WeakPolarHBondContact O-CZ3 3.49Å; K233-W268 HydrophobicContact CB-CB 4.39Å; K233-W268 HydrophobicContact CB-CD2 4.15Å; K233-W268 HydrophobicContact CB-CE3 3.59Å; K233-W268 HydrophobicContact CB-CG 4.5Å; K233-W268 HydrophobicContact CB-CZ3 4.28Å; K233-W268 HydrophobicContact CD-CE3 4.36Å; R236-W268 HydrophobicContact CG-CB 4.34Å; D266-W268 PolarHBondContact O-N 3.5Å; W268-K270 VanDerWaalsContact C-N 3.32Å
269	R	95.8	Very high	80.5	Confident	138 Å²	138	110.7 Å²	110.7	52%	0.521	55%	0.551	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.9	-24.8	176.7	-55.6	170.1	-65.5	-174	0.2	112	D267	D267-R269 PolarHBondContact O-N 3.03Å; D267-R269 WeakPolarHBondContact OD1-CB 3.27Å; D267-R269 WeakPolarHBondContact OD1-CG 3.39Å; D267-R269 IonicContact OD1-CZ 2.82Å; D267-R269 PolarHBondContact OD1-N 3.47Å; D267-R269 IonicContact OD1-NE 2.95Å; D267-R269 PolarHBondContact OD1-NE 3.43Å; D267-R269 IonicContact OD1-NH2 3.52Å; D267-R269 IonicContact OD2-CZ 2.82Å; D267-R269 IonicContact OD2-NE 3.95Å; D267-R269 PolarHBondContact OD2-NE 3.02Å; D267-R269 IonicContact OD2-NH2 3.24Å; D267-R269 PolarHBondContact OD2-NH2 2.99Å
270	K	93.7	Very high	78.8	Confident	130 Å²	130	113.7 Å²	113.7	57%	0.565	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	-18	177.9	-61	-179.4	-167.8	165.4	0	112.9	D265 D267 W268 K272	D265-K270 HydrophobicContact CB-CB 4.36Å; D265-K270 WeakPolarHBondContact OD2-CB 3.45Å; D267-K270 HydrophobicContact CB-CB 4.49Å; D267-K270 HydrophobicContact CB-CD 3.93Å; D267-K270 HydrophobicContact CB-CG 4.03Å; D267-K270 WeakPolarHBondContact O-CB 3.5Å; D267-K270 PolarHBondContact O-N 3.09Å; D267-K270 WeakPolarHBondContact OD2-CE 3.33Å; W268-K270 VanDerWaalsContact C-N 3.32Å; K270-K272 PolarHBondContact O-N 3.07Å
271	M	86.6	Confident	76.9	Confident	55 Å²	55	116.9 Å²	116.9	27%	0.271	59%	0.586	S	S	.	*			trans	-55.3	111.4	175.4	-101.5	-76.2	-78.8	0	0	111.3	M264 D265 V273	M264-M271 HydrophobicContact CB-SD 4.49Å; M264-M271 HydrophobicContact CG-CE 4.41Å; D265-M271 HydrophobicContact CB-CG 4.19Å; M271-V273 HydrophobicContact CE-CG2 3.67Å; M271-V273 HydrophobicContact SD-CG2 4.35Å
272	K	81.3	Confident	74.7	Confident	197 Å²	197	110.8 Å²	110.8	86%	0.857	58%	0.576	S	S	*	*			trans	-128.4	115.7	170.3	-66.9	-175	-176.3	179.3	0	107.8	K270	K270-K272 PolarHBondContact O-N 3.07Å
273	V	73.5	Confident	72.3	Confident	108 Å²	108	110.3 Å²	110.3	66%	0.655	58%	0.584	S	S	*	*			trans	-103.1	127.8	176.3	-157	0	0	0	0	108	M271 F275	M271-V273 HydrophobicContact CE-CG2 3.67Å; M271-V273 HydrophobicContact SD-CG2 4.35Å; V273-F275 PolarHBondContact O-N 3.49Å
274	S	65.1	Low	69.9	Low	91 Å²	91	114 Å²	114	64%	0.636	60%	0.596	S	S	*	*			trans	-71.4	113.3	169.9	149.8	0	0	0	0	107.9	T276	S274-T276 PolarHBondContact O-N 3.09Å; S274-T276 PolarHBondContact OG-N 3.09Å
275	F	60.8	Low	67.6	Low	201 Å²	201	120.9 Å²	120.9	88%	0.882	63%	0.633	S	S	*	*			trans	-71	87.2	159.6	-75.8	-84.1	0	0	0	107.3	V273 R277	V273-F275 PolarHBondContact O-N 3.49Å; F275-R277 VanDerWaalsContact C-N 3.26Å; F275-R277 PolarHBondContact O-N 3.4Å
276	T	56.1	Low	66.5	Low	122 Å²	122	123.7 Å²	123.7	75%	0.748	65%	0.647	S	S	*	*			trans	-60.7	102.5	155.4	18.4	0	0	0	0	105.4	S274 L278	S274-T276 PolarHBondContact O-N 3.09Å; S274-T276 PolarHBondContact OG-N 3.09Å; T276-L278 PolarHBondContact O-N 3.34Å
277	R	52.1	Low	65.2	Low	234 Å²	234	123.1 Å²	123.1	88%	0.883	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-47.7	120	163.8	-109.1	-177.9	-104	-165.5	-4.9	105.2	F275	F275-R277 VanDerWaalsContact C-N 3.26Å; F275-R277 PolarHBondContact O-N 3.4Å
278	L	51.1	Low	63.5	Low	133 Å²	133	128.6 Å²	128.6	70%	0.696	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-47.2	137.1	169	-78.8	164.4	0	0	0	107	T276	T276-L278 PolarHBondContact O-N 3.34Å
279	P	48.4	Very low	61.6	Low	75 Å²	75	135.6 Å²	135.6	49%	0.487	71%	0.709	S	S	.	*	P	Polyproline II helix	trans	-49.8	142.1	172.8	-20.6	30.5	0	0	0	108.4	D281 C282	P279-D281 PolarHBondContact O-N 3.16Å; P279-C282 PolarHBondContact O-N 3.24Å; P279-C282 VanDerWaalsContact O-N 3.15Å
280	P	58.8	Low	59.5	Low	129 Å²	129	135.4 Å²	135.4	84%	0.838	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.9	-12.3	176.5	21.4	-30.9	0	0	0	113.2
281	D	55.2	Low	57.2	Low	142 Å²	142	135.8 Å²	135.8	76%	0.759	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	0.9	-176.1	-44.3	-32.5	0	0	0	114.3	P279 G283	P279-D281 PolarHBondContact O-N 3.16Å; D281-G283 PolarHBondContact O-N 3.43Å
282	C	48.8	Very low	55.1	Low	92 Å²	92	141.6 Å²	141.6	62%	0.622	76%	0.764	S	S	*	*			trans	-74.5	73.3	163.4	-94.4	0	0	0	0	109.2	P279 I284	P279-C282 PolarHBondContact O-N 3.24Å; P279-C282 VanDerWaalsContact O-N 3.15Å; C282-I284 PolarHBondContact O-N 3.2Å
283	G	41.2	Very low	53.1	Low	55 Å²	55	137.3 Å²	137.3	57%	0.567	76%	0.757	S	S	*	*			trans	-57.7	133.4	171.2	0	0	0	0	0	110.6	D281 I285	D281-G283 PolarHBondContact O-N 3.43Å; G283-I285 PolarHBondContact O-N 3.42Å; G283-I285 VanDerWaalsContact O-N 3.11Å
284	I	39.3	Very low	51.4	Low	174 Å²	174	139.8 Å²	139.8	89%	0.892	77%	0.765	S	S	*	*			trans	-57.2	111.3	156.1	-59.9	171.4	0	0	0	105.4	C282	C282-I284 PolarHBondContact O-N 3.2Å
285	I	39.8	Very low	50.1	Low	229 Å²	229	144.2 Å²	144.2	100%	1.174	78%	0.777	S	S	*	*			trans	-73.8	0	163.6	-50.6	176.7	0	0	0	107.3	G283	G283-I285 PolarHBondContact O-N 3.42Å; G283-I285 VanDerWaalsContact O-N 3.11Å

Retrieved 285 of 285 residues in 58.7 ms (Link to these results)

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