A0A2K6AWZ8_MACNE Loading...

alpha-N-acetylneuraminyl-2,3-beta-galactosyl-1,3-N-acetylgalactosaminide6-alpha-sialyltransferase

AlphaFold DB , UniProt , Accession A0A2K6AWZ8, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene ST6GALNAC3, Length 305 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	52	Low	51.6	Low	246 Å²	246	138.2 Å²	138.2	100%	1.212	72%	0.719	S	S	*	*				0	44.8	0	-134.9	171.1	-164.2	0	0	112.1
2	A	51.2	Low	52.3	Low	83 Å²	83	130.9 Å²	130.9	69%	0.686	70%	0.695	S	S	*	*			trans	-128.4	-3.4	-175.9	0	0	0	0	0	114.6
3	C	47.4	Very low	53.3	Low	114 Å²	114	127.8 Å²	127.8	77%	0.77	68%	0.684	S	S	*	*	H	α-helix	trans	-92.4	-12.6	-175.6	-141.1	0	0	0	0	113.9
4	I	48.9	Very low	54.2	Low	136 Å²	136	124.2 Å²	124.2	70%	0.697	67%	0.673	S	S	*	*	H	α-helix	trans	-91.4	-26.7	-175.7	-61.1	175.6	0	0	0	112.2
5	L	46.7	Very low	55.3	Low	140 Å²	140	125.9 Å²	125.9	73%	0.733	67%	0.672	S	S	*	*	H	α-helix	trans	-75.5	-32.8	177.8	-93.7	97.6	0	0	0	113.8	R7	L5-R7 VanDerWaalsContact C-N 3.33Å; L5-R7 PolarHBondContact O-N 3.35Å
6	K	48.2	Very low	56.4	Low	170 Å²	170	124.7 Å²	124.7	74%	0.739	66%	0.664	S	S	*	*	H	α-helix	trans	-64.6	-33.9	178.7	-96.2	-178.1	174.1	-179.9	0	112.9	V10	K6-V10 WeakPolarHBondContact O-CG2 3.22Å; K6-V10 PolarHBondContact O-N 3.24Å
7	R	50.3	Low	57.2	Low	199 Å²	199	120.6 Å²	120.6	75%	0.751	65%	0.652	S	S	*	*	H	α-helix	trans	-74.6	-32.4	-175.2	-148	174.9	-173.9	-177	1.4	113.1	L5 I11	L5-R7 VanDerWaalsContact C-N 3.33Å; L5-R7 PolarHBondContact O-N 3.35Å; R7-I11 WeakPolarHBondContact O-CD1 3.39Å; R7-I11 WeakPolarHBondContact O-CG1 3.22Å; R7-I11 PolarHBondContact O-N 3.4Å
8	K	50	Low	58	Low	160 Å²	160	116.6 Å²	116.6	70%	0.696	64%	0.638	S	S	*	*	H	α-helix	trans	-71	-36.2	175	-70.9	-171.6	176.4	-174.3	0	112.4	A12	K8-A12 PolarHBondContact O-N 2.91Å
9	S	55.8	Low	58.9	Low	74 Å²	74	117.7 Å²	117.7	52%	0.517	64%	0.636	S	S	.	*	H	α-helix	trans	-66.8	-40.3	177.9	-179	0	0	0	0	112.3	I11 A12 V13	S9-I11 PolarHBondContact O-N 3.38Å; S9-A12 PolarHBondContact O-N 2.67Å; S9-V13 WeakPolarHBondContact O-CB 3.45Å; S9-V13 WeakPolarHBondContact O-CG2 3.47Å; S9-V13 PolarHBondContact O-N 2.81Å
10	V	57.6	Low	59.7	Low	103 Å²	103	116.9 Å²	116.9	62%	0.624	63%	0.631	S	S	*	*	H	α-helix	trans	-67	-36.9	178.4	175.8	0	0	0	0	112.4	K6 S14	K6-V10 WeakPolarHBondContact O-CG2 3.22Å; K6-V10 PolarHBondContact O-N 3.24Å; V10-S14 WeakPolarHBondContact O-CB 3.37Å; V10-S14 PolarHBondContact O-N 3.15Å
11	I	59	Low	60.2	Low	95 Å²	95	118.2 Å²	118.2	49%	0.487	63%	0.631	S	S	.	*	H	α-helix	trans	-70	-43.3	178.2	-63.4	166.9	0	0	0	110.5	R7 S9 S14 F15	R7-I11 WeakPolarHBondContact O-CD1 3.39Å; R7-I11 WeakPolarHBondContact O-CG1 3.22Å; R7-I11 PolarHBondContact O-N 3.4Å; S9-I11 PolarHBondContact O-N 3.38Å; I11-S14 PolarHBondContact O-N 3.18Å; I11-F15 HydrophobicContact CG2-CD2 3.87Å; I11-F15 HydrophobicContact CG2-CE2 3.84Å; I11-F15 WeakPolarHBondContact O-CD2 3.09Å; I11-F15 PolarHBondContact O-N 3.08Å
12	A	60.6	Low	61.1	Low	51 Å²	51	112 Å²	112	42%	0.421	60%	0.602	S	S	.	*	H	α-helix	trans	-64	-41	177.4	0	0	0	0	0	112.7	K8 S9 S14 F15 I16	K8-A12 PolarHBondContact O-N 2.91Å; S9-A12 PolarHBondContact O-N 2.67Å; A12-S14 VanDerWaalsContact C-N 3.33Å; A12-S14 PolarHBondContact O-N 3.31Å; A12-F15 PolarHBondContact O-N 3.29Å; A12-I16 WeakPolarHBondContact O-CD1 3.49Å; A12-I16 WeakPolarHBondContact O-CG1 3.46Å; A12-I16 PolarHBondContact O-N 3.16Å; A12-I16 VanDerWaalsContact O-N 3.1Å
13	V	65.3	Low	62	Low	91 Å²	91	111.3 Å²	111.3	55%	0.552	59%	0.587	S	S	*	*	H	α-helix	trans	-65.6	-37.1	175.8	173.7	0	0	0	0	111.3	S9 I16 A17	S9-V13 WeakPolarHBondContact O-CB 3.45Å; S9-V13 WeakPolarHBondContact O-CG2 3.47Å; S9-V13 PolarHBondContact O-N 2.81Å; V13-I16 PolarHBondContact O-N 2.58Å; V13-A17 WeakPolarHBondContact O-CB 3.45Å; V13-A17 PolarHBondContact O-N 3.18Å
14	S	66.3	Low	63	Low	77 Å²	77	110 Å²	110	54%	0.538	58%	0.575	S	S	.	*	H	α-helix	trans	-65.4	-40.9	176.5	-169.4	0	0	0	0	112.6	V10 I11 A12 A17 A18	V10-S14 WeakPolarHBondContact O-CB 3.37Å; V10-S14 PolarHBondContact O-N 3.15Å; I11-S14 PolarHBondContact O-N 3.18Å; A12-S14 VanDerWaalsContact C-N 3.33Å; A12-S14 PolarHBondContact O-N 3.31Å; S14-A17 PolarHBondContact O-N 3.21Å; S14-A18 WeakPolarHBondContact O-CB 3.44Å; S14-A18 PolarHBondContact O-N 3.38Å
15	F	69.8	Low	63.8	Low	149 Å²	149	106.4 Å²	106.4	65%	0.654	56%	0.559	S	S	*	*	H	α-helix	trans	-67.7	-39.6	175.9	-88.7	-75.5	0	0	0	112.9	I11 A12 A18 F19	I11-F15 HydrophobicContact CG2-CD2 3.87Å; I11-F15 HydrophobicContact CG2-CE2 3.84Å; I11-F15 WeakPolarHBondContact O-CD2 3.09Å; I11-F15 PolarHBondContact O-N 3.08Å; A12-F15 PolarHBondContact O-N 3.29Å; F15-A18 PolarHBondContact O-N 3.46Å; F15-F19 WeakPolarHBondContact O-CB 3.36Å; F15-F19 PolarHBondContact O-N 3.37Å
16	I	73.3	Confident	64.4	Low	107 Å²	107	109 Å²	109	55%	0.549	56%	0.559	S	S	.	*	H	α-helix	trans	-66.3	-41.3	176.6	-67.8	164.4	0	0	0	110.6	A12 V13 F19 L20	A12-I16 WeakPolarHBondContact O-CD1 3.49Å; A12-I16 WeakPolarHBondContact O-CG1 3.46Å; A12-I16 PolarHBondContact O-N 3.16Å; A12-I16 VanDerWaalsContact O-N 3.1Å; V13-I16 PolarHBondContact O-N 2.58Å; I16-F19 PolarHBondContact O-N 3.18Å; I16-L20 HydrophobicContact CG2-CD1 3.89Å; I16-L20 WeakPolarHBondContact O-CB 3.43Å; I16-L20 WeakPolarHBondContact O-CG 3.07Å; I16-L20 PolarHBondContact O-N 3.09Å
17	A	70.8	Confident	64.8	Low	55 Å²	55	106.4 Å²	106.4	46%	0.455	55%	0.553	S	S	.	*	H	α-helix	trans	-64	-42.5	175.4	0	0	0	0	0	112.2	V13 S14 L20 F21	V13-A17 WeakPolarHBondContact O-CB 3.45Å; V13-A17 PolarHBondContact O-N 3.18Å; S14-A17 PolarHBondContact O-N 3.21Å; A17-L20 PolarHBondContact O-N 2.84Å; A17-F21 VanDerWaalsContact O-CB 3.3Å; A17-F21 WeakPolarHBondContact O-CB 3.44Å; A17-F21 PolarHBondContact O-N 3.33Å
18	A	71.6	Confident	65.1	Low	49 Å²	49	101.5 Å²	101.5	41%	0.405	55%	0.545	S	S	.	.	H	α-helix	trans	-65.5	-38.4	176.4	0	0	0	0	0	112.4	S14 F15 F21 L22	S14-A18 WeakPolarHBondContact O-CB 3.44Å; S14-A18 PolarHBondContact O-N 3.38Å; F15-A18 PolarHBondContact O-N 3.46Å; A18-F21 PolarHBondContact O-N 3Å; A18-L22 WeakPolarHBondContact O-CB 3.29Å; A18-L22 VanDerWaalsContact O-CG 3.32Å; A18-L22 WeakPolarHBondContact O-CG 3.39Å; A18-L22 PolarHBondContact O-N 3.43Å
19	F	74.3	Confident	65.2	Low	138 Å²	138	100.4 Å²	100.4	61%	0.605	55%	0.546	S	S	*	.	H	α-helix	trans	-70.3	-41.3	177.6	-168.8	-101	0	0	0	112.3	F15 I16 F21 L22 L23	F15-F19 WeakPolarHBondContact O-CB 3.36Å; F15-F19 PolarHBondContact O-N 3.37Å; I16-F19 PolarHBondContact O-N 3.18Å; F19-F21 VanDerWaalsContact C-N 3.35Å; F19-L22 PolarHBondContact O-N 2.76Å; F19-L23 HydrophobicContact CD1-CD1 3.74Å; F19-L23 HydrophobicContact CD1-CG 4.37Å; F19-L23 HydrophobicContact CE1-CD1 3.47Å; F19-L23 VanDerWaalsContact CE1-CD1 3.47Å; F19-L23 HydrophobicContact CE1-CG 4.14Å; F19-L23 HydrophobicContact CZ-CD1 4.29Å; F19-L23 WeakPolarHBondContact O-CG 3.47Å; F19-L23 PolarHBondContact O-N 2.92Å
20	L	74.5	Confident	64.7	Low	101 Å²	101	105.3 Å²	105.3	53%	0.529	56%	0.561	S	S	.	*	H	α-helix	trans	-63.6	-40.3	172.5	-78.9	165.8	0	0	0	111.6	I16 A17 L23 V24	I16-L20 HydrophobicContact CG2-CD1 3.89Å; I16-L20 WeakPolarHBondContact O-CB 3.43Å; I16-L20 WeakPolarHBondContact O-CG 3.07Å; I16-L20 PolarHBondContact O-N 3.09Å; A17-L20 PolarHBondContact O-N 2.84Å; L20-L23 PolarHBondContact O-N 3.31Å; L20-V24 WeakPolarHBondContact O-CB 3.28Å; L20-V24 VanDerWaalsContact O-CG2 3.27Å; L20-V24 WeakPolarHBondContact O-CG2 3.38Å; L20-V24 PolarHBondContact O-N 3.26Å
21	F	71.6	Confident	63.8	Low	144 Å²	144	104.3 Å²	104.3	63%	0.632	56%	0.555	S	S	*	*	H	α-helix	trans	-62.8	-43.8	175	-173.5	-99.4	0	0	0	111.7	A17 A18 F19 L23 V24 V25	A17-F21 VanDerWaalsContact O-CB 3.3Å; A17-F21 WeakPolarHBondContact O-CB 3.44Å; A17-F21 PolarHBondContact O-N 3.33Å; A18-F21 PolarHBondContact O-N 3Å; F19-F21 VanDerWaalsContact C-N 3.35Å; F21-L23 PolarHBondContact O-N 3.07Å; F21-V24 PolarHBondContact O-N 3.46Å; F21-V25 HydrophobicContact CD1-CG2 4.1Å; F21-V25 HydrophobicContact CE1-CG2 3.79Å; F21-V25 HydrophobicContact CZ-CG2 4.05Å; F21-V25 WeakPolarHBondContact O-CB 3.4Å; F21-V25 VanDerWaalsContact O-CG2 3.27Å; F21-V25 WeakPolarHBondContact O-CG2 3.41Å; F21-V25 PolarHBondContact O-N 3.22Å
22	L	69.9	Low	62.8	Low	115 Å²	115	107.7 Å²	107.7	60%	0.602	57%	0.574	S	S	*	*	H	α-helix	trans	-64.2	-38.4	175.5	-75.2	168.3	0	0	0	112.4	A18 F19 R26	A18-L22 WeakPolarHBondContact O-CB 3.29Å; A18-L22 VanDerWaalsContact O-CG 3.32Å; A18-L22 WeakPolarHBondContact O-CG 3.39Å; A18-L22 PolarHBondContact O-N 3.43Å; F19-L22 PolarHBondContact O-N 2.76Å; L22-R26 WeakPolarHBondContact O-CB 3.38Å; L22-R26 PolarHBondContact O-N 3.27Å
23	L	70	Confident	61.7	Low	70 Å²	70	114 Å²	114	37%	0.366	59%	0.593	S	S	.	*	H	α-helix	trans	-66.5	-41.1	174.5	-79.4	172.4	0	0	0	112.2	F19 L20 F21 R26 L27	F19-L23 HydrophobicContact CD1-CD1 3.74Å; F19-L23 HydrophobicContact CD1-CG 4.37Å; F19-L23 HydrophobicContact CE1-CD1 3.47Å; F19-L23 VanDerWaalsContact CE1-CD1 3.47Å; F19-L23 HydrophobicContact CE1-CG 4.14Å; F19-L23 HydrophobicContact CZ-CD1 4.29Å; F19-L23 WeakPolarHBondContact O-CG 3.47Å; F19-L23 PolarHBondContact O-N 2.92Å; L20-L23 PolarHBondContact O-N 3.31Å; F21-L23 PolarHBondContact O-N 3.07Å; L23-R26 PolarHBondContact O-N 3.32Å; L23-L27 WeakPolarHBondContact O-CB 3.21Å; L23-L27 WeakPolarHBondContact O-CD1 3.49Å; L23-L27 PolarHBondContact O-N 3.31Å
24	V	69.4	Low	60.4	Low	85 Å²	85	114.7 Å²	114.7	52%	0.515	60%	0.599	S	S	.	*	H	α-helix	trans	-65.2	-43.9	175.1	171.5	0	0	0	0	110.6	L20 F21 R26 L27 V28	L20-V24 WeakPolarHBondContact O-CB 3.28Å; L20-V24 VanDerWaalsContact O-CG2 3.27Å; L20-V24 WeakPolarHBondContact O-CG2 3.38Å; L20-V24 PolarHBondContact O-N 3.26Å; F21-V24 PolarHBondContact O-N 3.46Å; V24-R26 VanDerWaalsContact C-N 3.29Å; V24-R26 PolarHBondContact O-N 3.39Å; V24-L27 PolarHBondContact O-N 3.1Å; V24-V28 HydrophobicContact CG1-CG2 4.08Å; V24-V28 WeakPolarHBondContact O-CB 3.34Å; V24-V28 WeakPolarHBondContact O-CG2 3.39Å; V24-V28 PolarHBondContact O-N 3.15Å
25	V	64.1	Low	59	Low	61 Å²	61	118.3 Å²	118.3	37%	0.37	61%	0.611	S	S	.	*	H	α-helix	trans	-61.1	-39.3	174.5	170.1	0	0	0	0	111.2	F21 N29	F21-V25 HydrophobicContact CD1-CG2 4.1Å; F21-V25 HydrophobicContact CE1-CG2 3.79Å; F21-V25 HydrophobicContact CZ-CG2 4.05Å; F21-V25 WeakPolarHBondContact O-CB 3.4Å; F21-V25 VanDerWaalsContact O-CG2 3.27Å; F21-V25 WeakPolarHBondContact O-CG2 3.41Å; F21-V25 PolarHBondContact O-N 3.22Å; V25-N29 WeakPolarHBondContact O-CB 3.4Å; V25-N29 PolarHBondContact O-N 3.39Å
26	R	61	Low	57.2	Low	194 Å²	194	119.9 Å²	119.9	73%	0.732	63%	0.626	S	S	*	*	H	α-helix	trans	-69.4	-39.3	176.8	-143.2	-177.8	-166.3	-172.1	3	112.3	L22 L23 V24 E30	L22-R26 WeakPolarHBondContact O-CB 3.38Å; L22-R26 PolarHBondContact O-N 3.27Å; L23-R26 PolarHBondContact O-N 3.32Å; V24-R26 VanDerWaalsContact C-N 3.29Å; V24-R26 PolarHBondContact O-N 3.39Å; R26-E30 PolarHBondContact O-N 3.43Å
27	L	55.9	Low	55.3	Low	117 Å²	117	120.9 Å²	120.9	61%	0.613	63%	0.631	S	S	*	*	H	α-helix	trans	-68.7	-40.9	175.3	-105.4	105.8	0	0	0	112	L23 V24 N29 E30 V31	L23-L27 WeakPolarHBondContact O-CB 3.21Å; L23-L27 WeakPolarHBondContact O-CD1 3.49Å; L23-L27 PolarHBondContact O-N 3.31Å; V24-L27 PolarHBondContact O-N 3.1Å; L27-N29 VanDerWaalsContact C-N 3.33Å; L27-E30 PolarHBondContact O-N 2.88Å; L27-V31 WeakPolarHBondContact O-CG2 3.29Å; L27-V31 PolarHBondContact O-N 3.37Å
28	V	56.1	Low	53.6	Low	96 Å²	96	124.7 Å²	124.7	58%	0.582	64%	0.644	S	S	*	*	H	α-helix	trans	-70.7	-31.1	179.7	176.7	0	0	0	0	111.1	V24 E30 V31	V24-V28 HydrophobicContact CG1-CG2 4.08Å; V24-V28 WeakPolarHBondContact O-CB 3.34Å; V24-V28 WeakPolarHBondContact O-CG2 3.39Å; V24-V28 PolarHBondContact O-N 3.15Å; V28-E30 VanDerWaalsContact C-N 3.25Å; V28-E30 PolarHBondContact O-N 3.01Å; V28-V31 PolarHBondContact O-N 2.97Å
29	N	51.7	Low	51.8	Low	136 Å²	136	128 Å²	128	73%	0.727	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	-17.7	171.5	-87.7	-8	0	0	0	114.1	V25 L27	V25-N29 WeakPolarHBondContact O-CB 3.4Å; V25-N29 PolarHBondContact O-N 3.39Å; L27-N29 VanDerWaalsContact C-N 3.33Å
30	E	46.1	Very low	49.9	Very low	177 Å²	177	131.3 Å²	131.3	83%	0.827	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	-11.1	174.8	-76.5	-125.1	157.5	0	0	113.3	R26 L27 V28	R26-E30 PolarHBondContact O-N 3.43Å; L27-E30 PolarHBondContact O-N 2.88Å; V28-E30 VanDerWaalsContact C-N 3.25Å; V28-E30 PolarHBondContact O-N 3.01Å
31	V	38.7	Very low	47.8	Very low	82 Å²	82	130 Å²	130	50%	0.497	69%	0.688	S	S	.	*			trans	-114.1	97.4	-178.5	-166.6	0	0	0	0	110.3	L27 V28 F33	L27-V31 WeakPolarHBondContact O-CG2 3.29Å; L27-V31 PolarHBondContact O-N 3.37Å; V28-V31 PolarHBondContact O-N 2.97Å; V31-F33 HydrophobicContact CG1-CD2 3.9Å; V31-F33 HydrophobicContact CG1-CE2 3.89Å; V31-F33 PolarHBondContact O-N 2.93Å
32	N	38.8	Very low	46.1	Very low	166 Å²	166	132.7 Å²	132.7	89%	0.888	70%	0.703	S	S	*	*			trans	-64	104.2	167.4	-92.1	-31.7	0	0	0	110.1
33	F	36.4	Very low	44.5	Very low	184 Å²	184	132.5 Å²	132.5	81%	0.807	71%	0.708	S	S	*	*			trans	-90.6	125.2	165.5	-99	-87.3	0	0	0	110.3	V31	V31-F33 HydrophobicContact CG1-CD2 3.9Å; V31-F33 HydrophobicContact CG1-CE2 3.89Å; V31-F33 PolarHBondContact O-N 2.93Å
34	P	37.8	Very low	43.3	Very low	106 Å²	106	133.2 Å²	133.2	69%	0.688	73%	0.733	S	S	*	*			trans	-84.3	134	169.5	29.9	-24.6	0	0	0	111.4
35	L	36.4	Very low	41.5	Very low	152 Å²	152	134.1 Å²	134.1	80%	0.796	74%	0.739	S	S	*	*			trans	64.2	117	160.3	-83.3	112.5	0	0	0	120.1
36	L	33.5	Very low	40.1	Very low	183 Å²	183	141 Å²	141	96%	0.958	76%	0.764	S	S	*	*				-144	121.5	128.5	-103	165.8	0	0	0	109.5
37	L	31.8	Very low	38.6	Very low	127 Å²	127	142.8 Å²	142.8	67%	0.665	77%	0.771	S	S	*	*			trans	-84.2	149.1	-176	-149.7	84.8	0	0	0	110.6
38	N	36.1	Very low	37.6	Very low	136 Å²	136	143.4 Å²	143.4	73%	0.727	77%	0.773	S	S	*	*			trans	73.5	101.1	157.8	-64.4	-15.7	0	0	0	118.9
39	C	34.8	Very low	36.7	Very low	117 Å²	117	144.1 Å²	144.1	79%	0.791	78%	0.78	S	S	*	*				-171.9	139.6	119.6	-91.2	0	0	0	0	109.8
40	F	32.8	Very low	36	Very low	208 Å²	208	146 Å²	146	91%	0.912	78%	0.782	S	S	*	*			trans	89	96.4	175.5	-62.7	-81.8	0	0	0	119
41	G	30.1	Very low	35.6	Very low	73 Å²	73	142 Å²	142	75%	0.753	77%	0.773	S	S	*	*				47.9	117.1	124.9	0	0	0	0	0	120.1	P43	G41-P43 WeakPolarHBondContact O-CD 3.32Å
42	Q	37.3	Very low	35.5	Very low	201 Å²	201	147 Å²	147	94%	0.939	79%	0.785	S	S	*	*			trans	-57	138.8	171.1	-69.4	-178.4	-51.5	0	0	113.2
43	P	35.3	Very low	35.8	Very low	111 Å²	111	143.7 Å²	143.7	72%	0.721	77%	0.771	S	S	*	*			trans	-121.2	130.9	135.4	18	0.7	0	0	0	109.9	G41 T45	G41-P43 WeakPolarHBondContact O-CD 3.32Å; P43-T45 PolarHBondContact O-N 3.24Å
44	G	45.4	Very low	36.1	Very low	86 Å²	86	143.4 Å²	143.4	89%	0.887	77%	0.765	S	S	*	*			trans	-57.9	110.4	-179.3	0	0	0	0	0	112.5
45	T	32.2	Very low	36.9	Very low	104 Å²	104	148.9 Å²	148.9	64%	0.638	77%	0.772	S	S	*	*			trans	-105.9	121.9	160.1	39.9	0	0	0	0	107.9	P43 W47	P43-T45 PolarHBondContact O-N 3.24Å; T45-W47 PolarHBondContact O-N 3.49Å
46	K	34	Very low	38.2	Very low	205 Å²	205	147.5 Å²	147.5	89%	0.891	76%	0.756	S	S	*	*			trans	-55.2	104.7	164.6	-96.9	178	171.8	175.8	0	107.3	I48	K46-I48 VanDerWaalsContact C-N 3.34Å; K46-I48 PolarHBondContact O-N 3Å
47	W	29.9	Very low	40.1	Very low	231 Å²	231	143.8 Å²	143.8	88%	0.875	74%	0.743	S	S	*	*			trans	-66.5	97.1	166.4	-73	87.8	0	0	0	107.7	T45 P49	T45-W47 PolarHBondContact O-N 3.49Å; W47-P49 WeakPolarHBondContact O-CD 3.37Å
48	I	34.7	Very low	42.7	Very low	130 Å²	130	142.9 Å²	142.9	67%	0.667	74%	0.739	S	S	*	*			trans	-74.3	114.6	154.7	-58.8	174.8	0	0	0	104.2	K46 F50	K46-I48 VanDerWaalsContact C-N 3.34Å; K46-I48 PolarHBondContact O-N 3Å; I48-F50 VanDerWaalsContact C-N 3.26Å; I48-F50 HydrophobicContact CG2-CD2 4.3Å; I48-F50 PolarHBondContact O-N 3.11Å
49	P	37.8	Very low	45.4	Very low	111 Å²	111	142 Å²	142	72%	0.721	73%	0.725	S	S	*	*			trans	-72.3	92.6	174.8	30.4	-29.3	0	0	0	106.7	W47 S51	W47-P49 WeakPolarHBondContact O-CD 3.37Å; P49-S51 PolarHBondContact O-N 3.17Å
50	F	37.3	Very low	48.3	Very low	176 Å²	176	138.9 Å²	138.9	77%	0.772	70%	0.702	S	S	*	*			trans	-69.2	83.3	157.2	-111.6	-91	0	0	0	106.2	I48 Y52	I48-F50 VanDerWaalsContact C-N 3.26Å; I48-F50 HydrophobicContact CG2-CD2 4.3Å; I48-F50 PolarHBondContact O-N 3.11Å; F50-Y52 PolarHBondContact O-N 3.32Å
51	S	36.3	Very low	51.4	Low	92 Å²	92	129.7 Å²	129.7	64%	0.643	66%	0.662	S	S	*	*			trans	-68.2	86	159.4	73.3	0	0	0	0	106.1	P49 T53	P49-S51 PolarHBondContact O-N 3.17Å; S51-T53 PolarHBondContact O-N 2.84Å
52	Y	37.4	Very low	54.6	Low	189 Å²	189	134.7 Å²	134.7	74%	0.741	66%	0.659	S	S	*	*			trans	-72.9	69.7	164.3	-154.3	-94.4	0	0	0	107.1	F50 Y54	F50-Y52 PolarHBondContact O-N 3.32Å; Y52-Y54 VanDerWaalsContact C-N 3.27Å; Y52-Y54 HydrophobicContact CE1-CD2 4.26Å; Y52-Y54 PolarHBondContact O-N 3.45Å
53	T	44.3	Very low	57.5	Low	96 Å²	96	125.8 Å²	125.8	59%	0.589	62%	0.622	S	S	*	*			trans	-64.4	98.9	162	44.3	0	0	0	0	105.3	S51 R55	S51-T53 PolarHBondContact O-N 2.84Å; T53-R55 PolarHBondContact O-N 3.22Å
54	Y	43.6	Very low	60.6	Low	177 Å²	177	120.8 Å²	120.8	69%	0.694	59%	0.588	S	S	*	*			trans	-60.7	87.4	163.6	-170.5	-93.9	0	0	0	106.5	Y52 R56	Y52-Y54 VanDerWaalsContact C-N 3.27Å; Y52-Y54 HydrophobicContact CE1-CD2 4.26Å; Y52-Y54 PolarHBondContact O-N 3.45Å; Y54-R56 PolarHBondContact O-N 3.37Å
55	R	54.9	Low	63.1	Low	221 Å²	221	118 Å²	118	83%	0.834	55%	0.553	S	S	*	*			trans	-64.6	108.5	173.5	-74.8	-173.3	-179.7	-177.9	0	105.5	T53	T53-R55 PolarHBondContact O-N 3.22Å
56	R	62.4	Low	66.2	Low	124 Å²	124	113.7 Å²	113.7	47%	0.468	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-52.7	138	171	-76.1	-177.4	176.1	167.6	2.8	108.2	Y54 L58 D76	Y54-R56 PolarHBondContact O-N 3.37Å; R56-L58 PolarHBondContact O-N 2.76Å; R56-D76 WeakPolarHBondContact CB-OD2 3.47Å
57	P	74.8	Confident	69.3	Low	104 Å²	104	104.3 Å²	104.3	68%	0.675	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-58.9	134	176.4	22.7	-30.4	0	0	0	109.2
58	L	84.6	Confident	72.4	Confident	109 Å²	109	99 Å²	99	57%	0.571	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-57.5	139.9	177.8	-66.4	172.2	0	0	0	110	R56 Q74 D76	R56-L58 PolarHBondContact O-N 2.76Å; L58-Q74 HydrophobicContact CB-CB 4.09Å; L58-Q74 HydrophobicContact CD1-CB 3.99Å; L58-D76 HydrophobicContact CD2-CB 4.42Å
59	R	93.3	Very high	75.4	Confident	118 Å²	118	96.5 Å²	96.5	45%	0.445	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-87.8	138.6	173.6	-60.3	179.6	-165.8	-172.2	-4.1	110.2	H61 Q74 L75 D76 D227	R59-H61 PolarHBondContact O-CD2 3.2Å; R59-Q74 CarbonylContact O-C 3.19Å; R59-Q74 WeakPolarHBondContact O-CA 3.47Å; R59-Q74 PolarHBondContact O-OE1 3.3Å; R59-L75 WeakPolarHBondContact CB-O 3.23Å; R59-L75 PolarHBondContact O-N 3.33Å; R59-D76 WeakPolarHBondContact CD-OD1 3.48Å; R59-D76 HydrophobicContact CG-CB 4.23Å; R59-D76 IonicContact CZ-OD1 2.92Å; R59-D76 IonicContact NE-OD1 3.24Å; R59-D76 PolarHBondContact NE-OD1 3.18Å; R59-D76 IonicContact NH2-OD1 2.82Å; R59-D227 PolarHBondContact NH1-O 3.3Å
60	T	96.8	Very high	78.2	Confident	51 Å²	51	95.2 Å²	95.2	31%	0.313	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	124.8	176.1	-53.5	0	0	0	0	111.4	Y62 P72 Q74	T60-Y62 HydrophobicContact CG2-CD1 4.11Å; T60-Y62 HydrophobicContact CG2-CD2 4.15Å; T60-Y62 HydrophobicContact CG2-CE1 3.76Å; T60-Y62 HydrophobicContact CG2-CE2 3.8Å; T60-Y62 HydrophobicContact CG2-CG 4.3Å; T60-P72 HydrophobicContact CG2-CB 3.69Å; T60-P72 HydrophobicContact CG2-CG 3.46Å; T60-P72 VanDerWaalsContact CG2-CG 3.46Å; T60-Q74 VanDerWaalsContact CA-OE1 3.27Å; T60-Q74 VanDerWaalsContact CG2-NE2 3.35Å; T60-Q74 VanDerWaalsContact OG1-CD 3.26Å; T60-Q74 PolarHBondContact OG1-NE2 2.96Å; T60-Q74 PolarHBondContact OG1-OE1 3.42Å
61	H	97.6	Very high	81.1	Confident	15 Å²	15	92.6 Å²	92.6	7%	0.069	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	83.1	179.4	-58.9	-89.2	0	0	0	110.8	R59 G63 Y64 L73 L75	R59-H61 PolarHBondContact O-CD2 3.2Å; H61-G63 PolarHBondContact O-N 3.2Å; H61-Y64 HydrophobicContact CB-CD2 3.79Å; H61-Y64 HydrophobicContact CB-CE2 4.22Å; H61-Y64 PolarHBondContact O-N 2.89Å; H61-Y64 VanDerWaalsContact O-N 3.12Å; H61-L73 HydrophobicContact CB-CB 4.2Å; H61-L73 PolarHBondContact N-O 2.85Å; H61-L75 PolarHBondContact NE2-O 3.14Å
62	Y	97.6	Very high	84	Confident	177 Å²	177	89.1 Å²	89.1	69%	0.694	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.2	-15.5	-178.1	-62.1	-80.2	0	0	0	115.2	T60 Y64 P72	T60-Y62 HydrophobicContact CG2-CD1 4.11Å; T60-Y62 HydrophobicContact CG2-CD2 4.15Å; T60-Y62 HydrophobicContact CG2-CE1 3.76Å; T60-Y62 HydrophobicContact CG2-CE2 3.8Å; T60-Y62 HydrophobicContact CG2-CG 4.3Å; Y62-Y64 PolarHBondContact O-N 3.21Å; Y62-P72 HydrophobicContact CD1-CB 4.18Å; Y62-P72 HydrophobicContact CD1-CG 4.29Å; Y62-P72 HydrophobicContact CE1-CG 4.34Å
63	G	98.1	Very high	86.9	Confident	14 Å²	14	80.1 Å²	80.1	14%	0.144	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	-12	176.6	0	0	0	0	0	114.5	H61 T189 R192	H61-G63 PolarHBondContact O-N 3.2Å; G63-T189 WeakPolarHBondContact O-CG2 3.44Å; G63-T189 PolarHBondContact O-N 3.07Å; G63-T189 PolarHBondContact O-OG1 3.46Å; G63-R192 WeakPolarHBondContact O-CB 3.39Å
64	Y	98.6	Very high	89.4	Confident	6 Å²	6	79.1 Å²	79.1	2%	0.024	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	124.5	-173.5	-46.1	-87.5	0	0	0	110	H61 Y62 P72 L73 V153 V187 T188 R192 L224	H61-Y64 HydrophobicContact CB-CD2 3.79Å; H61-Y64 HydrophobicContact CB-CE2 4.22Å; H61-Y64 PolarHBondContact O-N 2.89Å; H61-Y64 VanDerWaalsContact O-N 3.12Å; Y62-Y64 PolarHBondContact O-N 3.21Å; Y64-P72 WeakPolarHBondContact O-CA 3.44Å; Y64-L73 HydrophobicContact CD2-CD2 4.33Å; Y64-L73 HydrophobicContact CG-CD2 4.43Å; Y64-L73 PolarHBondContact O-N 2.84Å; Y64-V153 HydrophobicContact CD1-CG1 3.42Å; Y64-V153 VanDerWaalsContact CD1-CG1 3.42Å; Y64-V153 HydrophobicContact CE1-CG1 3.84Å; Y64-V153 HydrophobicContact CG-CG1 4.26Å; Y64-V187 WeakPolarHBondContact CA-O 3.21Å; Y64-T188 HydrophobicContact CD1-CG2 4.23Å; Y64-T188 HydrophobicContact CE1-CG2 3.95Å; Y64-R192 HydrophobicContact CE1-CG 4.2Å; Y64-R192 HydrophobicContact CE2-CG 4.4Å; Y64-R192 PolarHBondContact OH-NE 3.14Å; Y64-R192 VanDerWaalsContact OH-NE 3.08Å; Y64-R192 PolarHBondContact OH-NH2 3.11Å; Y64-L224 HydrophobicContact CD2-CD1 4.09Å; Y64-L224 HydrophobicContact CE1-CD2 4.11Å; Y64-L224 HydrophobicContact CE2-CD1 3.43Å; Y64-L224 VanDerWaalsContact CE2-CD1 3.43Å; Y64-L224 HydrophobicContact CE2-CD2 4.25Å; Y64-L224 HydrophobicContact CE2-CG 4.27Å
65	I	98.4	Very high	91.8	Very high	27 Å²	27	70.8 Å²	70.8	14%	0.138	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	130.4	-169.5	-61.2	-61.3	0	0	0	109.9	V67 Q70 P72 Y186 V187 T189	I65-V67 PolarHBondContact O-N 3.32Å; I65-Q70 HydrophobicContact CG2-CB 4.24Å; I65-Q70 WeakPolarHBondContact CG2-O 3.49Å; I65-P72 HydrophobicContact CD1-CB 4.4Å; I65-Y186 CarbonylContact O-C 3.58Å; I65-Y186 VanDerWaalsContact O-CA 3.28Å; I65-Y186 WeakPolarHBondContact O-CA 3.44Å; I65-V187 PolarHBondContact N-O 3.03Å; I65-V187 PolarHBondContact O-N 3.12Å; I65-T189 HydrophobicContact CG1-CG2 3.56Å
66	N	98.3	Very high	93.7	Very high	14 Å²	14	61.7 Å²	61.7	8%	0.075	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	132.9	177.3	-172	-73	0	0	0	110.5	K68 T69 Q70 E71 I185 Y186	N66-K68 VanDerWaalsContact C-N 3.3Å; N66-K68 PolarHBondContact O-N 2.96Å; N66-K68 WeakPolarHBondContact OD1-CA 3.35Å; N66-K68 WeakPolarHBondContact OD1-CB 3.4Å; N66-K68 PolarHBondContact OD1-N 3.17Å; N66-T69 VanDerWaalsContact CB-OG1 3.23Å; N66-T69 WeakPolarHBondContact CB-OG1 3.35Å; N66-T69 VanDerWaalsContact CG-OG1 3.31Å; N66-T69 PolarHBondContact OD1-N 3.17Å; N66-T69 PolarHBondContact OD1-OG1 3.43Å; N66-Q70 VanDerWaalsContact O-CA 3.25Å; N66-Q70 WeakPolarHBondContact O-CA 3.23Å; N66-Q70 PolarHBondContact O-N 3.2Å; N66-Q70 PolarHBondContact O-NE2 3.3Å; N66-E71 WeakPolarHBondContact CB-O 3.43Å; N66-E71 PolarHBondContact N-O 3.49Å; N66-I185 CarbonylContact C-O 3.54Å; N66-I185 WeakPolarHBondContact CA-O 3.4Å; N66-Y186 HydrophobicContact CB-CD1 3.93Å; N66-Y186 HydrophobicContact CB-CE1 3.62Å; N66-Y186 VanDerWaalsContact N-CD1 3.29Å
67	V	97.8	Very high	95.1	Very high	9 Å²	9	55.9 Å²	55.9	6%	0.055	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-36.7	-177.3	174.6	0	0	0	0	111.9	I65 Q70 Y170 L173 V177 I185 V187	I65-V67 PolarHBondContact O-N 3.32Å; V67-Q70 PolarHBondContact O-NE2 2.9Å; V67-Y170 HydrophobicContact CG2-CE2 4.44Å; V67-L173 HydrophobicContact CG2-CB 4.38Å; V67-V177 HydrophobicContact CB-CG1 4.33Å; V67-V177 HydrophobicContact CG1-CG1 4.39Å; V67-V177 HydrophobicContact CG1-CG2 3.99Å; V67-I185 HydrophobicContact CG2-CB 4.31Å; V67-I185 HydrophobicContact CG2-CG2 3.85Å; V67-I185 WeakPolarHBondContact CG2-O 3.44Å; V67-I185 PolarHBondContact N-O 3.34Å; V67-V187 HydrophobicContact CG2-CG1 3.68Å
68	K	95.9	Very high	96	Very high	118 Å²	118	55.2 Å²	55.2	51%	0.513	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-53.1	-177.1	-176.7	174.3	178.7	174.8	0	112	N66 V177 P181	N66-K68 VanDerWaalsContact C-N 3.3Å; N66-K68 PolarHBondContact O-N 2.96Å; N66-K68 WeakPolarHBondContact OD1-CA 3.35Å; N66-K68 WeakPolarHBondContact OD1-CB 3.4Å; N66-K68 PolarHBondContact OD1-N 3.17Å; K68-V177 HydrophobicContact CB-CB 4.5Å; K68-V177 HydrophobicContact CB-CG2 4.35Å; K68-P181 PolarHBondContact NZ-O 2.9Å
69	T	96.9	Very high	96.5	Very high	79 Å²	79	52.8 Å²	52.8	49%	0.485	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-15.8	-171.5	64.6	0	0	0	0	113.8	N66 E71	N66-T69 VanDerWaalsContact CB-OG1 3.23Å; N66-T69 WeakPolarHBondContact CB-OG1 3.35Å; N66-T69 VanDerWaalsContact CG-OG1 3.31Å; N66-T69 PolarHBondContact OD1-N 3.17Å; N66-T69 PolarHBondContact OD1-OG1 3.43Å; T69-E71 PolarHBondContact O-N 2.56Å; T69-E71 VanDerWaalsContact O-N 3.12Å; T69-E71 WeakPolarHBondContact OG1-CB 3.29Å; T69-E71 PolarHBondContact OG1-N 3.05Å
70	Q	96.9	Very high	96.7	Very high	84 Å²	84	47.2 Å²	47.2	39%	0.393	23%	0.234	S	C	.	.			trans	59.5	10.1	-169.6	-55.5	-60.6	-64.1	0	0	114.8	I65 N66 V67	I65-Q70 HydrophobicContact CG2-CB 4.24Å; I65-Q70 WeakPolarHBondContact CG2-O 3.49Å; N66-Q70 VanDerWaalsContact O-CA 3.25Å; N66-Q70 WeakPolarHBondContact O-CA 3.23Å; N66-Q70 PolarHBondContact O-N 3.2Å; N66-Q70 PolarHBondContact O-NE2 3.3Å; V67-Q70 PolarHBondContact O-NE2 2.9Å
71	E	97.9	Very high	96.8	Very high	120 Å²	120	44.8 Å²	44.8	56%	0.561	22%	0.219	S	C	*	.	P	Polyproline II helix	trans	-78.2	149.3	175.9	-66.9	-60.5	150.9	0	0	111.7	N66 T69	N66-E71 WeakPolarHBondContact CB-O 3.43Å; N66-E71 PolarHBondContact N-O 3.49Å; T69-E71 PolarHBondContact O-N 2.56Å; T69-E71 VanDerWaalsContact O-N 3.12Å; T69-E71 WeakPolarHBondContact OG1-CB 3.29Å; T69-E71 PolarHBondContact OG1-N 3.05Å
72	P	98.3	Very high	96.9	Very high	19 Å²	19	44 Å²	44	12%	0.123	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	153.3	176.2	30.4	-34.5	0	0	0	112.1	T60 Y62 Y64 I65 Q74	T60-P72 HydrophobicContact CG2-CB 3.69Å; T60-P72 HydrophobicContact CG2-CG 3.46Å; T60-P72 VanDerWaalsContact CG2-CG 3.46Å; Y62-P72 HydrophobicContact CD1-CB 4.18Å; Y62-P72 HydrophobicContact CD1-CG 4.29Å; Y62-P72 HydrophobicContact CE1-CG 4.34Å; Y64-P72 WeakPolarHBondContact O-CA 3.44Å; I65-P72 HydrophobicContact CD1-CB 4.4Å; P72-Q74 PolarHBondContact O-N 2.79Å
73	L	98.2	Very high	96.9	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	132.6	175.5	174.6	65	0	0	0	110.9	H61 Y64 L75 I151 V153 Y186 L224	H61-L73 HydrophobicContact CB-CB 4.2Å; H61-L73 PolarHBondContact N-O 2.85Å; Y64-L73 HydrophobicContact CD2-CD2 4.33Å; Y64-L73 HydrophobicContact CG-CD2 4.43Å; Y64-L73 PolarHBondContact O-N 2.84Å; L73-L75 HydrophobicContact CD2-CD2 4.46Å; L73-L75 HydrophobicContact CG-CB 4.28Å; L73-I151 HydrophobicContact CD1-CD1 4.35Å; L73-I151 HydrophobicContact CD1-CG2 3.84Å; L73-V153 HydrophobicContact CD2-CG2 4.25Å; L73-Y186 VanDerWaalsContact CA-CE1 3.46Å; L73-Y186 HydrophobicContact CB-CD1 3.79Å; L73-Y186 HydrophobicContact CB-CE1 3.79Å; L73-Y186 HydrophobicContact CB-CG 4.46Å; L73-Y186 HydrophobicContact CD1-CD1 4.34Å; L73-Y186 HydrophobicContact CD1-CD2 4.24Å; L73-Y186 HydrophobicContact CD1-CE1 4.08Å; L73-Y186 HydrophobicContact CD1-CE2 3.97Å; L73-Y186 HydrophobicContact CD1-CG 4.43Å; L73-L224 HydrophobicContact CD2-CD1 4.4Å; L73-L224 HydrophobicContact CD2-CD2 4.26Å
74	Q	96.6	Very high	96.9	Very high	75 Å²	75	35.3 Å²	35.3	35%	0.35	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	116.7	173.4	-59.3	-64.4	-19.3	0	0	108.9	L58 R59 T60 P72	L58-Q74 HydrophobicContact CB-CB 4.09Å; L58-Q74 HydrophobicContact CD1-CB 3.99Å; R59-Q74 CarbonylContact O-C 3.19Å; R59-Q74 WeakPolarHBondContact O-CA 3.47Å; R59-Q74 PolarHBondContact O-OE1 3.3Å; T60-Q74 VanDerWaalsContact CA-OE1 3.27Å; T60-Q74 VanDerWaalsContact CG2-NE2 3.35Å; T60-Q74 VanDerWaalsContact OG1-CD 3.26Å; T60-Q74 PolarHBondContact OG1-NE2 2.96Å; T60-Q74 PolarHBondContact OG1-OE1 3.42Å; P72-Q74 PolarHBondContact O-N 2.79Å
75	L	94.8	Very high	96.9	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.01	18%	0.18	C	C	.	.			trans	-155.1	124.9	-175.4	-171	65.5	0	0	0	111.6	R59 H61 L73 W105 M124 I125 A228	R59-L75 WeakPolarHBondContact CB-O 3.23Å; R59-L75 PolarHBondContact O-N 3.33Å; H61-L75 PolarHBondContact NE2-O 3.14Å; L73-L75 HydrophobicContact CD2-CD2 4.46Å; L73-L75 HydrophobicContact CG-CB 4.28Å; L75-W105 HydrophobicContact CD2-CH2 3.54Å; L75-W105 HydrophobicContact CD2-CZ2 3.62Å; L75-M124 HydrophobicContact CD1-CE 3.66Å; L75-I125 HydrophobicContact CD1-CD1 4.09Å; L75-I125 HydrophobicContact CD1-CG1 4.4Å; L75-I125 HydrophobicContact CD2-CD1 4.18Å; L75-I125 HydrophobicContact CD2-CG1 4.03Å; L75-A228 HydrophobicContact CB-CB 4.48Å; L75-A228 HydrophobicContact CD2-CB 3.7Å; L75-A228 HydrophobicContact CG-CB 3.96Å
76	D	93.3	Very high	96.9	Very high	29 Å²	29	34.3 Å²	34.3	16%	0.155	17%	0.174	C	C	.	.			trans	-141	120	168.7	-170.9	68.8	0	0	0	107.7	R56 L58 R59	R56-D76 WeakPolarHBondContact CB-OD2 3.47Å; L58-D76 HydrophobicContact CD2-CB 4.42Å; R59-D76 WeakPolarHBondContact CD-OD1 3.48Å; R59-D76 HydrophobicContact CG-CB 4.23Å; R59-D76 IonicContact CZ-OD1 2.92Å; R59-D76 IonicContact NE-OD1 3.24Å; R59-D76 PolarHBondContact NE-OD1 3.18Å; R59-D76 IonicContact NH2-OD1 2.82Å
77	C	93.7	Very high	96.9	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.02	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	142.5	-174.8	-65.3	0	0	0	0	109.6	C80 C103 A228 C229 Y230	C77-C80 WeakPolarHBondContact CB-SG 3.5Å; C77-C103 HydrophobicContact CB-CB 3.76Å; C77-C103 WeakPolarHBondContact CB-SG 3.45Å; C77-C103 WeakPolarHBondContact SG-CB 3.28Å; C77-C103 CovalentContact SG-SG 2.02Å; C77-C103 PolarHBondContact SG-SG 2.85Å; C77-A228 PolarHBondContact N-O 3.17Å; C77-C229 HydrophobicContact CB-CB 4.49Å; C77-C229 CarbonylContact O-C 3.53Å; C77-C229 WeakPolarHBondContact O-CA 3.32Å; C77-Y230 PolarHBondContact O-N 3.17Å
78	D	91.9	Very high	96.9	Very high	89 Å²	89	33.5 Å²	33.5	48%	0.476	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	-76.9	174.3	-167.9	31.4	0	0	0	109.8	S102 Y230 G231	D78-S102 PolarHBondContact N-OG 2.92Å; D78-Y230 WeakPolarHBondContact O-CA 3.49Å; D78-Y230 WeakPolarHBondContact O-CB 3.37Å; D78-Y230 PolarHBondContact O-N 2.97Å; D78-Y230 WeakPolarHBondContact OD1-CD1 3.25Å; D78-G231 PolarHBondContact O-N 2.79Å
79	L	95.8	Very high	97.1	Very high	59 Å²	59	27.9 Å²	27.9	31%	0.309	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	119	173.6	-177.5	64	0	0	0	111.2	S102 C103	L79-S102 PolarHBondContact N-OG 2.79Å; L79-S102 PolarHBondContact O-N 3.28Å; L79-S102 PolarHBondContact O-OG 2.77Å; L79-C103 PolarHBondContact O-N 2.76Å
80	C	98.2	Very high	97.1	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	131.3	175.4	-68.9	0	0	0	0	111.4	C77 C103 W105 C229 G231 I232 H233	C77-C80 WeakPolarHBondContact CB-SG 3.5Å; C80-C103 CarbonylContact C-O 3.54Å; C80-C103 VanDerWaalsContact CA-O 3.28Å; C80-C103 WeakPolarHBondContact CA-O 3.35Å; C80-W105 PolarHBondContact SG-NE1 3.44Å; C80-C229 HydrophobicContact CB-CB 3.75Å; C80-C229 WeakPolarHBondContact CB-SG 3.49Å; C80-C229 WeakPolarHBondContact SG-CB 3.34Å; C80-C229 CovalentContact SG-SG 2.02Å; C80-C229 PolarHBondContact SG-SG 3.49Å; C80-G231 PolarHBondContact N-O 3.32Å; C80-I232 HydrophobicContact CB-CG1 4.47Å; C80-I232 CarbonylContact O-C 3.58Å; C80-I232 WeakPolarHBondContact O-CA 3.48Å; C80-H233 PolarHBondContact O-N 3.12Å
81	A	98.8	Very high	97.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	116.4	165.4	0	0	0	0	0	109.6	I98 S101 C103 W105 H233 Y235	A81-I98 HydrophobicContact CB-CG2 4.17Å; A81-S101 WeakPolarHBondContact CB-OG 3.41Å; A81-C103 PolarHBondContact N-O 2.8Å; A81-W105 PolarHBondContact O-N 3.12Å; A81-H233 CarbonylContact C-O 3.59Å; A81-H233 WeakPolarHBondContact CA-O 3.28Å; A81-Y235 HydrophobicContact CB-CD2 4.33Å; A81-Y235 HydrophobicContact CB-CE2 3.81Å
82	I	98.8	Very high	97.1	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	115	169.9	-60.5	176.5	0	0	0	108	W105 M107 T221 F222 A225 I232 H233 V234 Y235	I82-W105 HydrophobicContact CB-CB 4.49Å; I82-W105 HydrophobicContact CG1-CB 4.01Å; I82-W105 HydrophobicContact CG1-CG 4.27Å; I82-M107 HydrophobicContact CG2-CE 4.41Å; I82-T221 HydrophobicContact CD1-CG2 4.17Å; I82-T221 HydrophobicContact CG1-CG2 4.5Å; I82-T221 HydrophobicContact CG2-CG2 4.17Å; I82-F222 HydrophobicContact CD1-CD2 4.33Å; I82-F222 HydrophobicContact CD1-CE2 4.21Å; I82-A225 HydrophobicContact CD1-CB 3.8Å; I82-I232 HydrophobicContact CD1-CG2 3.47Å; I82-I232 VanDerWaalsContact CD1-CG2 3.47Å; I82-I232 HydrophobicContact CG1-CG2 3.95Å; I82-H233 PolarHBondContact N-O 3.29Å; I82-V234 HydrophobicContact CB-CG1 4.46Å; I82-V234 HydrophobicContact CB-CG2 4.44Å; I82-V234 HydrophobicContact CG2-CG1 4.47Å; I82-V234 WeakPolarHBondContact O-CA 3.33Å; I82-Y235 PolarHBondContact O-N 2.97Å
83	V	98.8	Very high	97.1	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.006	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	113.7	176.7	-170.6	0	0	0	0	108.7	M89 I98 I104 W105 V119	V83-M89 HydrophobicContact CG1-CE 4.21Å; V83-M89 HydrophobicContact CG1-CG 4.4Å; V83-M89 HydrophobicContact CG1-SD 4.45Å; V83-I98 HydrophobicContact CG2-CD1 3.92Å; V83-I98 HydrophobicContact CG2-CG1 4.35Å; V83-I98 HydrophobicContact CG2-CG2 3.77Å; V83-I104 HydrophobicContact CG2-CG2 4.4Å; V83-W105 PolarHBondContact N-O 3.33Å; V83-V119 HydrophobicContact CG1-CB 4.17Å; V83-V119 HydrophobicContact CG1-CG1 4.38Å
84	S	98.3	Very high	97.1	Very high	6 Å²	6	27.9 Å²	27.9	4%	0.042	15%	0.153	C	C	.	.			trans	-63.9	156.8	172.9	178.2	0	0	0	0	111.2	S86 Y235 G236	S84-S86 PolarHBondContact O-N 3.22Å; S84-S86 WeakPolarHBondContact OG-CB 3.33Å; S84-S86 PolarHBondContact OG-N 3.49Å; S84-Y235 WeakPolarHBondContact CB-O 3.4Å; S84-Y235 PolarHBondContact N-O 2.89Å; S84-G236 VanDerWaalsContact CB-C 3.4Å; S84-G236 WeakPolarHBondContact CB-O 3.31Å; S84-G236 PolarHBondContact OG-O 2.84Å
85	N	98.5	Very high	97.2	Very high	11 Å²	11	24.3 Å²	24.3	6%	0.059	14%	0.136	C	C	.	.			trans	-80.5	-8.3	174.3	-69.3	7.3	0	0	0	112.7	M107 A110 H254 Y255 Y256	N85-M107 PolarHBondContact ND2-O 2.85Å; N85-M107 VanDerWaalsContact ND2-O 3.17Å; N85-M107 PolarHBondContact OD1-O 3.34Å; N85-A110 WeakPolarHBondContact OD1-CB 3.42Å; N85-H254 VanDerWaalsContact CB-CD2 3.45Å; N85-H254 WeakPolarHBondContact CB-CD2 3.49Å; N85-H254 CarbonylContact O-C 3.55Å; N85-H254 WeakPolarHBondContact O-CA 3.44Å; N85-Y255 WeakPolarHBondContact O-CD1 3.38Å; N85-Y255 PolarHBondContact O-N 2.79Å; N85-Y256 HydrophobicContact CB-CE1 4.01Å; N85-Y256 PolarHBondContact ND2-OH 3.09Å
86	S	98.3	Very high	97.4	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.014	17%	0.168	C	C	.	.	S	Bend	trans	-55.1	146.1	-173.4	179.9	0	0	0	0	114.7	S84 Q88 M89 G236 Y253 E262	S84-S86 PolarHBondContact O-N 3.22Å; S84-S86 WeakPolarHBondContact OG-CB 3.33Å; S84-S86 PolarHBondContact OG-N 3.49Å; S86-Q88 PolarHBondContact O-N 3.03Å; S86-Q88 VanDerWaalsContact O-N 3.13Å; S86-Q88 WeakPolarHBondContact OG-CB 3.36Å; S86-Q88 VanDerWaalsContact OG-CG 3.26Å; S86-Q88 WeakPolarHBondContact OG-CG 3.46Å; S86-Q88 PolarHBondContact OG-N 3.12Å; S86-M89 PolarHBondContact O-N 3.46Å; S86-G236 WeakPolarHBondContact CB-O 3.17Å; S86-Y253 WeakPolarHBondContact CA-O 3.36Å; S86-E262 VanDerWaalsContact CB-OE1 3.24Å; S86-E262 WeakPolarHBondContact CB-OE1 3.27Å; S86-E262 PolarHBondContact OG-OE1 3.49Å; S86-E262 PolarHBondContact OG-OE2 3.2Å
87	G	98.3	Very high	97.6	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-61.1	-11.5	167.5	0	0	0	0	0	114.8	M89 V90 P252	G87-M89 PolarHBondContact O-N 2.94Å; G87-M89 VanDerWaalsContact O-N 3.14Å; G87-V90 WeakPolarHBondContact O-CG2 3.36Å; G87-V90 PolarHBondContact O-N 2.61Å; G87-V90 VanDerWaalsContact O-N 3.09Å; G87-P252 VanDerWaalsContact CA-O 3.23Å; G87-P252 WeakPolarHBondContact CA-O 3.16Å; G87-P252 PolarHBondContact N-O 3.14Å; G87-P252 VanDerWaalsContact N-O 3.11Å
88	Q	98	Very high	97.8	Very high	6 Å²	6	32.8 Å²	32.8	3%	0.028	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-57.8	-25	171.2	-64.2	-60.7	-20.4	0	0	112.5	S86 V90 Q92 I238 V251 E262	S86-Q88 PolarHBondContact O-N 3.03Å; S86-Q88 VanDerWaalsContact O-N 3.13Å; S86-Q88 WeakPolarHBondContact OG-CB 3.36Å; S86-Q88 VanDerWaalsContact OG-CG 3.26Å; S86-Q88 WeakPolarHBondContact OG-CG 3.46Å; S86-Q88 PolarHBondContact OG-N 3.12Å; Q88-V90 PolarHBondContact O-N 2.79Å; Q88-Q92 WeakPolarHBondContact O-CG 3.36Å; Q88-Q92 PolarHBondContact O-NE2 3.02Å; Q88-I238 HydrophobicContact CG-CG2 3.62Å; Q88-V251 HydrophobicContact CG-CG2 4.16Å; Q88-E262 WeakPolarHBondContact CG-OE2 3.2Å; Q88-E262 PolarHBondContact NE2-OE2 2.99Å
89	M	98.4	Very high	98.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-68.5	-20.3	177.9	-69.7	-54.7	-58.8	0	0	113.9	V83 S86 G87 G91 Q92 V94 I98 D118 V119 G236 Y255	V83-M89 HydrophobicContact CG1-CE 4.21Å; V83-M89 HydrophobicContact CG1-CG 4.4Å; V83-M89 HydrophobicContact CG1-SD 4.45Å; S86-M89 PolarHBondContact O-N 3.46Å; G87-M89 PolarHBondContact O-N 2.94Å; G87-M89 VanDerWaalsContact O-N 3.14Å; M89-G91 PolarHBondContact O-N 3.3Å; M89-Q92 WeakPolarHBondContact O-CG 3.35Å; M89-Q92 PolarHBondContact O-N 3.18Å; M89-V94 HydrophobicContact CE-CG2 3.79Å; M89-I98 HydrophobicContact CE-CD1 3.91Å; M89-D118 VanDerWaalsContact CE-O 3.24Å; M89-D118 WeakPolarHBondContact CE-O 3.28Å; M89-D118 VanDerWaalsContact O-CB 3.32Å; M89-D118 WeakPolarHBondContact O-CB 3.37Å; M89-D118 VanDerWaalsContact O-CG 3.32Å; M89-V119 HydrophobicContact CB-CG1 3.86Å; M89-V119 HydrophobicContact CE-CG1 4.02Å; M89-V119 HydrophobicContact CG-CG1 4.23Å; M89-G236 WeakPolarHBondContact SD-CA 3.35Å; M89-G236 PolarHBondContact SD-N 3.26Å; M89-Y255 HydrophobicContact CB-CD1 4.14Å; M89-Y255 HydrophobicContact CB-CG 4.39Å; M89-Y255 HydrophobicContact CG-CD1 4.34Å
90	V	97.6	Very high	98.1	Very high	59 Å²	59	37 Å²	37	36%	0.358	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	121.9	-175.8	-179.6	0	0	0	0	111.2	G87 Q88 R249	G87-V90 WeakPolarHBondContact O-CG2 3.36Å; G87-V90 PolarHBondContact O-N 2.61Å; G87-V90 VanDerWaalsContact O-N 3.09Å; Q88-V90 PolarHBondContact O-N 2.79Å; V90-R249 PolarHBondContact O-NH2 2.84Å
91	G	97.3	Very high	98	Very high	48 Å²	48	37.6 Å²	37.6	50%	0.495	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	12.9	179.4	0	0	0	0	0	114.9	M89 D118	M89-G91 PolarHBondContact O-N 3.3Å; G91-D118 VanDerWaalsContact C-OD1 3.26Å; G91-D118 VanDerWaalsContact CA-OD1 3.25Å; G91-D118 WeakPolarHBondContact CA-OD1 3.25Å; G91-D118 PolarHBondContact N-OD1 3.46Å; G91-D118 VanDerWaalsContact N-OD1 3.14Å; G91-D118 PolarHBondContact N-OD2 3.34Å
92	Q	97.8	Very high	97.6	Very high	51 Å²	51	40.6 Å²	40.6	24%	0.238	21%	0.21	C	C	.	.			trans	-76.3	-26.8	178.6	-61.1	-59.5	-27	0	0	112.7	Q88 M89 V94 D118 H299	Q88-Q92 WeakPolarHBondContact O-CG 3.36Å; Q88-Q92 PolarHBondContact O-NE2 3.02Å; M89-Q92 WeakPolarHBondContact O-CG 3.35Å; M89-Q92 PolarHBondContact O-N 3.18Å; Q92-V94 HydrophobicContact CB-CG1 4.47Å; Q92-V94 HydrophobicContact CB-CG2 3.92Å; Q92-V94 PolarHBondContact O-N 2.8Å; Q92-D118 PolarHBondContact N-OD1 2.85Å; Q92-H299 HydrophobicContact CG-CB 4.19Å; Q92-H299 PolarHBondContact OE1-CD2 3.45Å; Q92-H299 VanDerWaalsContact OE1-CD2 3.23Å
93	K	98.2	Very high	97.6	Very high	132 Å²	132	40.8 Å²	40.8	57%	0.574	21%	0.212	S	C	*	.			trans	56.5	32.1	177.4	-53.6	-175	173.5	-126.2	0	114.9	E117 D118	K93-E117 CarbonylContact C-O 3.6Å; K93-E117 WeakPolarHBondContact CA-O 3.31Å; K93-E117 HydrophobicContact CB-CG 4.2Å; K93-E117 VanDerWaalsContact CD-OE1 3.25Å; K93-E117 WeakPolarHBondContact CD-OE1 3.12Å; K93-E117 VanDerWaalsContact CE-OE1 3.28Å; K93-E117 WeakPolarHBondContact CE-OE1 3.35Å; K93-E117 HydrophobicContact CG-CG 4.01Å; K93-E117 IonicContact NZ-OE1 3.17Å; K93-E117 PolarHBondContact NZ-OE1 3.27Å; K93-E117 IonicContact NZ-OE2 3.17Å; K93-D118 PolarHBondContact N-OD1 2.9Å
94	V	98.4	Very high	97.5	Very high	12 Å²	12	41 Å²	41	7%	0.073	21%	0.213	C	C	.	.			trans	-100	11.3	-176.6	-69.3	0	0	0	0	113.3	M89 Q92 N96 E97 I98 E117 D118 Y235	M89-V94 HydrophobicContact CE-CG2 3.79Å; Q92-V94 HydrophobicContact CB-CG1 4.47Å; Q92-V94 HydrophobicContact CB-CG2 3.92Å; Q92-V94 PolarHBondContact O-N 2.8Å; V94-N96 VanDerWaalsContact C-N 3.32Å; V94-N96 PolarHBondContact O-N 2.89Å; V94-E97 HydrophobicContact CB-CB 4.48Å; V94-E97 WeakPolarHBondContact O-CB 3.22Å; V94-E97 PolarHBondContact O-N 3.3Å; V94-I98 HydrophobicContact CG2-CD1 3.95Å; V94-I98 PolarHBondContact O-N 3Å; V94-E117 PolarHBondContact N-O 2.86Å; V94-D118 VanDerWaalsContact CG2-O 3.31Å; V94-D118 WeakPolarHBondContact CG2-O 3.25Å; V94-Y235 HydrophobicContact CG2-CD1 4.14Å
95	G	98.6	Very high	97.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-57.6	-42.3	-176	0	0	0	0	0	114	E97 I98 D99 E116 E117 D118 G120	G95-E97 VanDerWaalsContact C-N 3.27Å; G95-E97 PolarHBondContact O-N 2.98Å; G95-I98 PolarHBondContact O-N 2.66Å; G95-D99 PolarHBondContact O-N 2.96Å; G95-E116 WeakPolarHBondContact CA-O 3.44Å; G95-E117 WeakPolarHBondContact CA-O 2.99Å; G95-E117 PolarHBondContact N-O 2.9Å; G95-D118 PolarHBondContact N-O 2.95Å; G95-G120 VanDerWaalsContact CA-CA 3.46Å
96	N	98.1	Very high	97.6	Very high	127 Å²	127	40.2 Å²	40.2	68%	0.679	21%	0.208	S	C	*	.	H	α-helix	trans	-65.6	-28.4	175.9	-74	-28.8	0	0	0	113.3	V94 R100	V94-N96 VanDerWaalsContact C-N 3.32Å; V94-N96 PolarHBondContact O-N 2.89Å; N96-R100 WeakPolarHBondContact O-CG 3.38Å
97	E	97.8	Very high	97.6	Very high	86 Å²	86	40.7 Å²	40.7	40%	0.402	21%	0.21	S	C	.	.	H	α-helix	trans	-73.9	-46	174.9	-177.2	-175	150.9	0	0	110.4	V94 G95 D99 R100 Y235	V94-E97 HydrophobicContact CB-CB 4.48Å; V94-E97 WeakPolarHBondContact O-CB 3.22Å; V94-E97 PolarHBondContact O-N 3.3Å; G95-E97 VanDerWaalsContact C-N 3.27Å; G95-E97 PolarHBondContact O-N 2.98Å; E97-D99 VanDerWaalsContact C-N 3.31Å; E97-D99 PolarHBondContact O-N 3.2Å; E97-R100 WeakPolarHBondContact O-CB 3.4Å; E97-R100 PolarHBondContact O-N 3.25Å; E97-R100 VanDerWaalsContact O-N 3.17Å; E97-Y235 PolarHBondContact OE1-OH 3.42Å; E97-Y235 VanDerWaalsContact OE1-OH 3.11Å
98	I	98.5	Very high	97.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-55.4	-48.3	177.1	-70.4	165.5	0	0	0	110.5	A81 V83 M89 V94 G95 R100 S101 I104 Y235	A81-I98 HydrophobicContact CB-CG2 4.17Å; V83-I98 HydrophobicContact CG2-CD1 3.92Å; V83-I98 HydrophobicContact CG2-CG1 4.35Å; V83-I98 HydrophobicContact CG2-CG2 3.77Å; M89-I98 HydrophobicContact CE-CD1 3.91Å; V94-I98 HydrophobicContact CG2-CD1 3.95Å; V94-I98 PolarHBondContact O-N 3Å; G95-I98 PolarHBondContact O-N 2.66Å; I98-R100 PolarHBondContact O-N 2.87Å; I98-R100 VanDerWaalsContact O-N 3.14Å; I98-S101 VanDerWaalsContact O-CB 3.28Å; I98-S101 WeakPolarHBondContact O-CB 3.26Å; I98-S101 PolarHBondContact O-N 2.85Å; I98-S101 PolarHBondContact O-OG 3.29Å; I98-I104 HydrophobicContact CG2-CG1 4.25Å; I98-I104 HydrophobicContact CG2-CG2 3.82Å; I98-Y235 HydrophobicContact CD1-CD1 4.31Å; I98-Y235 HydrophobicContact CD1-CG 4.22Å; I98-Y235 HydrophobicContact CG1-CD1 4.09Å; I98-Y235 HydrophobicContact CG1-CD2 4.04Å; I98-Y235 HydrophobicContact CG1-CE1 4.04Å; I98-Y235 HydrophobicContact CG1-CE2 3.99Å; I98-Y235 HydrophobicContact CG1-CG 4.1Å
99	D	97.8	Very high	97.6	Very high	25 Å²	25	43.1 Å²	43.1	13%	0.134	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-7.2	-175.7	-68.1	-29.6	0	0	0	113.9	G95 E97 S101 G120 H121 M122	G95-D99 PolarHBondContact O-N 2.96Å; E97-D99 VanDerWaalsContact C-N 3.31Å; E97-D99 PolarHBondContact O-N 3.2Å; D99-S101 VanDerWaalsContact C-N 3.32Å; D99-G120 VanDerWaalsContact OD2-CA 3.29Å; D99-G120 WeakPolarHBondContact OD2-CA 3.24Å; D99-H121 PolarHBondContact OD1-N 2.9Å; D99-H121 IonicContact OD2-CE1 2.58Å; D99-H121 PolarHBondContact OD2-CE1 3.28Å; D99-H121 VanDerWaalsContact OD2-CE1 3.3Å; D99-H121 IonicContact OD2-CG 3.18Å; D99-H121 PolarHBondContact OD2-N 2.82Å; D99-H121 IonicContact OD2-ND1 3.18Å; D99-H121 PolarHBondContact OD2-ND1 2.7Å; D99-M122 HydrophobicContact CB-CG 4.26Å; D99-M122 HydrophobicContact CB-SD 4.18Å; D99-M122 WeakPolarHBondContact OD1-CB 3.5Å; D99-M122 PolarHBondContact OD1-N 2.83Å
100	R	95.8	Very high	97.6	Very high	212 Å²	212	43.1 Å²	43.1	80%	0.8	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82	-10.4	170.4	-69.9	168.2	-175	-176.3	0.8	113.4	N96 E97 I98	N96-R100 WeakPolarHBondContact O-CG 3.38Å; E97-R100 WeakPolarHBondContact O-CB 3.4Å; E97-R100 PolarHBondContact O-N 3.25Å; E97-R100 VanDerWaalsContact O-N 3.17Å; I98-R100 PolarHBondContact O-N 2.87Å; I98-R100 VanDerWaalsContact O-N 3.14Å
101	S	95.5	Very high	97.6	Very high	11 Å²	11	41.6 Å²	41.6	8%	0.077	22%	0.215	C	C	.	.	S	Bend	trans	-73.4	149.3	-179.1	-59.4	0	0	0	0	111.6	A81 I98 D99 C103 I104	A81-S101 WeakPolarHBondContact CB-OG 3.41Å; I98-S101 VanDerWaalsContact O-CB 3.28Å; I98-S101 WeakPolarHBondContact O-CB 3.26Å; I98-S101 PolarHBondContact O-N 2.85Å; I98-S101 PolarHBondContact O-OG 3.29Å; D99-S101 VanDerWaalsContact C-N 3.32Å; S101-C103 VanDerWaalsContact C-N 3.29Å; S101-C103 PolarHBondContact O-N 2.9Å; S101-I104 WeakPolarHBondContact O-CD1 3.41Å
102	S	91.9	Very high	97.6	Very high	63 Å²	63	39.8 Å²	39.8	44%	0.441	19%	0.194	S	C	.	.	S	Bend	trans	-64.7	-34.5	-179.9	67.8	0	0	0	0	112.9	D78 L79	D78-S102 PolarHBondContact N-OG 2.92Å; L79-S102 PolarHBondContact N-OG 2.79Å; L79-S102 PolarHBondContact O-N 3.28Å; L79-S102 PolarHBondContact O-OG 2.77Å
103	C	96.9	Very high	97.6	Very high	4 Å²	4	42.4 Å²	42.4	3%	0.027	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	124.8	177.7	-64.1	0	0	0	0	109.9	C77 L79 C80 A81 S101 M124 I125	C77-C103 HydrophobicContact CB-CB 3.76Å; C77-C103 WeakPolarHBondContact CB-SG 3.45Å; C77-C103 WeakPolarHBondContact SG-CB 3.28Å; C77-C103 CovalentContact SG-SG 2.02Å; C77-C103 PolarHBondContact SG-SG 2.85Å; L79-C103 PolarHBondContact O-N 2.76Å; C80-C103 CarbonylContact C-O 3.54Å; C80-C103 VanDerWaalsContact CA-O 3.28Å; C80-C103 WeakPolarHBondContact CA-O 3.35Å; A81-C103 PolarHBondContact N-O 2.8Å; S101-C103 VanDerWaalsContact C-N 3.29Å; S101-C103 PolarHBondContact O-N 2.9Å; C103-M124 HydrophobicContact CB-SD 3.84Å; C103-M124 PolarHBondContact SG-SD 3.36Å; C103-I125 HydrophobicContact CB-CD1 4.1Å
104	I	98.6	Very high	97.5	Very high	5 Å²	5	39.2 Å²	39.2	3%	0.026	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	123.5	178	-56.9	84.8	0	0	0	109.1	V83 I98 S101 M122 M124 I125	V83-I104 HydrophobicContact CG2-CG2 4.4Å; I98-I104 HydrophobicContact CG2-CG1 4.25Å; I98-I104 HydrophobicContact CG2-CG2 3.82Å; S101-I104 WeakPolarHBondContact O-CD1 3.41Å; I104-M122 HydrophobicContact CD1-CB 3.98Å; I104-M122 HydrophobicContact CG1-CB 4.38Å; I104-M122 WeakPolarHBondContact CG2-O 3.24Å; I104-M124 PolarHBondContact O-N 2.98Å; I104-I125 PolarHBondContact O-N 3.42Å
105	W	98.8	Very high	97.5	Very high	1 Å²	1	42 Å²	42	0%	0.004	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	130.7	-174.5	-61.8	65.7	0	0	0	110.2	L75 C80 A81 I82 V83 I125 V127 T221 L224 A225 A228	L75-W105 HydrophobicContact CD2-CH2 3.54Å; L75-W105 HydrophobicContact CD2-CZ2 3.62Å; C80-W105 PolarHBondContact SG-NE1 3.44Å; A81-W105 PolarHBondContact O-N 3.12Å; I82-W105 HydrophobicContact CB-CB 4.49Å; I82-W105 HydrophobicContact CG1-CB 4.01Å; I82-W105 HydrophobicContact CG1-CG 4.27Å; V83-W105 PolarHBondContact N-O 3.33Å; W105-I125 CarbonylContact C-O 3.47Å; W105-I125 VanDerWaalsContact CA-O 3.29Å; W105-I125 WeakPolarHBondContact CA-O 3.41Å; W105-I125 HydrophobicContact CD2-CB 3.83Å; W105-I125 HydrophobicContact CD2-CD1 4.02Å; W105-I125 HydrophobicContact CD2-CG1 4.23Å; W105-I125 HydrophobicContact CD2-CG2 4.23Å; W105-I125 HydrophobicContact CE3-CB 3.78Å; W105-I125 HydrophobicContact CE3-CG1 4.36Å; W105-I125 HydrophobicContact CE3-CG2 3.63Å; W105-I125 HydrophobicContact CG-CB 4.3Å; W105-I125 HydrophobicContact CG-CD1 4.39Å; W105-I125 HydrophobicContact CH2-CB 4.47Å; W105-I125 HydrophobicContact CH2-CD1 4.38Å; W105-I125 HydrophobicContact CH2-CG1 4.21Å; W105-I125 HydrophobicContact CH2-CG2 4.28Å; W105-I125 HydrophobicContact CZ2-CD1 3.78Å; W105-I125 HydrophobicContact CZ2-CG1 4.11Å; W105-I125 HydrophobicContact CZ3-CB 4.11Å; W105-I125 HydrophobicContact CZ3-CG1 4.35Å; W105-I125 HydrophobicContact CZ3-CG2 3.66Å; W105-V127 HydrophobicContact CE3-CG2 4.17Å; W105-V127 HydrophobicContact CZ3-CG2 4.32Å; W105-T221 HydrophobicContact CE3-CG2 4.17Å; W105-L224 HydrophobicContact CH2-CB 4.47Å; W105-L224 HydrophobicContact CH2-CD2 4.16Å; W105-L224 HydrophobicContact CH2-CG 3.72Å; W105-L224 HydrophobicContact CZ3-CB 4.2Å; W105-L224 HydrophobicContact CZ3-CD2 3.85Å; W105-L224 HydrophobicContact CZ3-CG 3.72Å; W105-A225 HydrophobicContact CH2-CB 4.44Å; W105-A225 HydrophobicContact CZ2-CB 4.47Å; W105-A225 HydrophobicContact CZ3-CB 4.49Å; W105-A228 HydrophobicContact CH2-CB 4.23Å; W105-A228 HydrophobicContact CZ2-CB 4.17Å
106	R	98.8	Very high	97.5	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	166.2	175.1	-61	-171.6	-167.4	-90	-6.4	111	V119 G120 M122 T123 I125 R126 V127	R106-V119 VanDerWaalsContact CZ-O 3.24Å; R106-V119 PolarHBondContact NH1-O 3.14Å; R106-V119 PolarHBondContact NH2-O 2.92Å; R106-G120 PolarHBondContact NH2-O 2.85Å; R106-M122 PolarHBondContact NE-O 3.31Å; R106-M122 PolarHBondContact NH2-O 2.95Å; R106-T123 HydrophobicContact CB-CG2 4.09Å; R106-T123 WeakPolarHBondContact CD-OG1 3.29Å; R106-T123 HydrophobicContact CG-CG2 4Å; R106-T123 PolarHBondContact NE-OG1 3.36Å; R106-I125 PolarHBondContact N-O 2.91Å; R106-R126 CarbonylContact O-C 3.49Å; R106-R126 VanDerWaalsContact O-CA 3.28Å; R106-R126 WeakPolarHBondContact O-CA 3.32Å; R106-V127 PolarHBondContact O-N 3.29Å
107	M	98.8	Very high	97.5	Very high	13 Å²	13	45.5 Å²	45.5	6%	0.064	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	140.7	-176.9	-67.1	176.5	-82.4	0	0	112.2	I82 N85 A110 V127 T217	I82-M107 HydrophobicContact CG2-CE 4.41Å; N85-M107 PolarHBondContact ND2-O 2.85Å; N85-M107 VanDerWaalsContact ND2-O 3.17Å; N85-M107 PolarHBondContact OD1-O 3.34Å; M107-A110 WeakPolarHBondContact O-CB 3.39Å; M107-A110 PolarHBondContact O-N 3Å; M107-V127 CarbonylContact C-O 3.54Å; M107-V127 VanDerWaalsContact CA-O 3.28Å; M107-V127 WeakPolarHBondContact CA-O 3.43Å; M107-T217 HydrophobicContact CB-CG2 3.87Å; M107-T217 HydrophobicContact CG-CG2 3.8Å; M107-T217 HydrophobicContact SD-CG2 4.13Å
108	N	98.6	Very high	97.6	Very high	23 Å²	23	42.4 Å²	42.4	12%	0.123	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	-136.1	173.1	-59	-41.8	0	0	0	112.6	R126 V127 S129 S132 T217	N108-R126 VanDerWaalsContact O-CD 3.26Å; N108-R126 WeakPolarHBondContact O-CD 3.32Å; N108-R126 PolarHBondContact O-NH1 3.32Å; N108-V127 PolarHBondContact N-O 3.17Å; N108-S129 PolarHBondContact OD1-N 2.86Å; N108-S132 WeakPolarHBondContact CB-OG 3.39Å; N108-S132 PolarHBondContact OD1-OG 3.37Å; N108-T217 PolarHBondContact ND2-OG1 2.84Å; N108-T217 PolarHBondContact OD1-OG1 2.77Å
109	N	97.8	Very high	97.6	Very high	33 Å²	33	42.4 Å²	42.4	18%	0.176	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	15.7	-177	65.2	-62.2	0	0	0	114	P111 L135 L136 F143	N109-P111 WeakPolarHBondContact O-CD 3.45Å; N109-P111 VanDerWaalsContact O-N 3.15Å; N109-L135 HydrophobicContact CB-CB 4.02Å; N109-L136 HydrophobicContact CB-CD1 3.85Å; N109-F143 HydrophobicContact CB-CZ 4.2Å
110	A	98.3	Very high	97.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.211	C	C	.	.			trans	-61.2	115.2	-177.1	0	0	0	0	0	111.4	N85 M107 R126 Y255 Y256	N85-A110 WeakPolarHBondContact OD1-CB 3.42Å; M107-A110 WeakPolarHBondContact O-CB 3.39Å; M107-A110 PolarHBondContact O-N 3Å; A110-R126 VanDerWaalsContact O-CZ 3.24Å; A110-R126 PolarHBondContact O-NH1 3.03Å; A110-R126 PolarHBondContact O-NH2 3.39Å; A110-Y255 HydrophobicContact CB-CE1 4.31Å; A110-Y255 WeakPolarHBondContact CB-OH 3.28Å; A110-Y256 HydrophobicContact CB-CD1 4.02Å; A110-Y256 HydrophobicContact CB-CE1 3.47Å; A110-Y256 VanDerWaalsContact CB-CE1 3.47Å
111	P	97.4	Very high	97.7	Very high	28 Å²	28	36.7 Å²	36.7	18%	0.182	20%	0.199	C	C	.	.			trans	-80.5	155.3	-174.1	33.9	-34.1	0	0	0	111.7	N109 Y115 Y255 Y256	N109-P111 WeakPolarHBondContact O-CD 3.45Å; N109-P111 VanDerWaalsContact O-N 3.15Å; P111-Y115 HydrophobicContact CG-CD2 4.12Å; P111-Y115 HydrophobicContact CG-CE2 4.03Å; P111-Y255 WeakPolarHBondContact O-CE2 3.3Å; P111-Y255 PolarHBondContact O-OH 3.47Å; P111-Y256 VanDerWaalsContact CD-CB 3.5Å; P111-Y256 HydrophobicContact CG-CD2 4.39Å; P111-Y256 HydrophobicContact CG-CG 3.95Å
112	T	97.8	Very high	97.7	Very high	10 Å²	10	40.4 Å²	40.4	6%	0.061	22%	0.216	C	C	.	.			trans	-96	-33.3	165.6	50.9	0	0	0	0	112.3	G114 Y115 E116 G120 Y142	T112-G114 PolarHBondContact O-N 3.29Å; T112-Y115 CarbonylContact O-C 3.59Å; T112-Y115 PolarHBondContact O-N 2.8Å; T112-E116 VanDerWaalsContact O-CD 3.25Å; T112-E116 PolarHBondContact O-N 3.05Å; T112-G120 WeakPolarHBondContact CB-O 3.48Å; T112-G120 WeakPolarHBondContact CG2-O 3.19Å; T112-Y142 PolarHBondContact N-OH 3.23Å; T112-Y142 PolarHBondContact OG1-OH 3.32Å
113	K	96.6	Very high	98	Very high	105 Å²	105	38.6 Å²	38.6	46%	0.457	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	124.7	-177.9	-75.6	-173.2	178.9	-175.7	0	111.6	Y115 E116 Y142 E146	K113-Y115 VanDerWaalsContact C-N 3.31Å; K113-Y115 WeakPolarHBondContact O-CD2 3.2Å; K113-E116 VanDerWaalsContact CA-OE1 3.32Å; K113-E116 WeakPolarHBondContact CA-OE1 3.41Å; K113-Y142 HydrophobicContact CD-CD2 3.96Å; K113-Y142 HydrophobicContact CD-CE2 3.81Å; K113-Y142 HydrophobicContact CG-CD2 4.47Å; K113-Y142 HydrophobicContact CG-CE2 3.81Å; K113-E146 WeakPolarHBondContact CE-OE2 3.02Å; K113-E146 VanDerWaalsContact NZ-CD 3.28Å; K113-E146 IonicContact NZ-OE1 2.68Å; K113-E146 PolarHBondContact NZ-OE1 3.1Å; K113-E146 IonicContact NZ-OE2 2.98Å; K113-E146 PolarHBondContact NZ-OE2 3.38Å
114	G	97.2	Very high	98.1	Very high	65 Å²	65	41.4 Å²	41.4	67%	0.67	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.6	0.4	-176.9	0	0	0	0	0	114.4	T112 E116	T112-G114 PolarHBondContact O-N 3.29Å; G114-E116 WeakPolarHBondContact CA-OE2 3.26Å; G114-E116 PolarHBondContact N-OE1 3.33Å; G114-E116 PolarHBondContact N-OE2 2.86Å
115	Y	98.4	Very high	98.1	Very high	72 Å²	72	41.2 Å²	41.2	28%	0.282	22%	0.215	S	C	.	.			trans	-131.3	9.8	-178.6	-59.4	-83.5	0	0	0	112.1	P111 T112 K113 E117 D118 V119 Y255 Y256	P111-Y115 HydrophobicContact CG-CD2 4.12Å; P111-Y115 HydrophobicContact CG-CE2 4.03Å; T112-Y115 CarbonylContact O-C 3.59Å; T112-Y115 PolarHBondContact O-N 2.8Å; K113-Y115 VanDerWaalsContact C-N 3.31Å; K113-Y115 WeakPolarHBondContact O-CD2 3.2Å; Y115-E117 VanDerWaalsContact C-N 3.26Å; Y115-E117 PolarHBondContact O-N 2.96Å; Y115-D118 PolarHBondContact O-N 2.81Å; Y115-V119 WeakPolarHBondContact O-CG2 3.31Å; Y115-V119 PolarHBondContact O-N 2.78Å; Y115-Y255 AromaticContact CD1-CD2 3.77Å; Y115-Y255 HydrophobicContact CD1-CD2 3.77Å; Y115-Y255 HydrophobicContact CD1-CE2 4.32Å; Y115-Y255 HydrophobicContact CD2-CD2 4.32Å; Y115-Y255 HydrophobicContact CD2-CE2 4.14Å; Y115-Y255 HydrophobicContact CE1-CD2 4.16Å; Y115-Y255 WeakPolarHBondContact CE1-O 3.47Å; Y115-Y255 AromaticContact CG-CD2 3.86Å; Y115-Y255 HydrophobicContact CG-CD2 3.86Å; Y115-Y255 AromaticContact CG-CE2 3.93Å; Y115-Y255 HydrophobicContact CG-CE2 3.93Å; Y115-Y256 WeakPolarHBondContact OH-CA 3.47Å
116	E	98.5	Very high	98.1	Very high	82 Å²	82	41.3 Å²	41.3	38%	0.383	22%	0.215	S	C	.	.	H	α-helix	trans	-58.9	-35.5	-169	-65.2	89.1	157.7	0	0	112.9	G95 T112 K113 G114 D118 G120 H121	G95-E116 WeakPolarHBondContact CA-O 3.44Å; T112-E116 VanDerWaalsContact O-CD 3.25Å; T112-E116 PolarHBondContact O-N 3.05Å; K113-E116 VanDerWaalsContact CA-OE1 3.32Å; K113-E116 WeakPolarHBondContact CA-OE1 3.41Å; G114-E116 WeakPolarHBondContact CA-OE2 3.26Å; G114-E116 PolarHBondContact N-OE1 3.33Å; G114-E116 PolarHBondContact N-OE2 2.86Å; E116-D118 VanDerWaalsContact C-N 3.25Å; E116-D118 PolarHBondContact O-N 3.35Å; E116-G120 VanDerWaalsContact O-CA 3.24Å; E116-G120 WeakPolarHBondContact O-CA 3.37Å; E116-G120 PolarHBondContact O-N 2.97Å; E116-H121 HydrophobicContact CG-CB 3.94Å
117	E	98.6	Very high	98.1	Very high	118 Å²	118	41.5 Å²	41.5	55%	0.551	22%	0.216	S	C	*	.	H	α-helix	trans	-58.2	-41.8	177	-168	-178.9	-172.9	0	0	111	K93 V94 G95 Y115	K93-E117 CarbonylContact C-O 3.6Å; K93-E117 WeakPolarHBondContact CA-O 3.31Å; K93-E117 HydrophobicContact CB-CG 4.2Å; K93-E117 VanDerWaalsContact CD-OE1 3.25Å; K93-E117 WeakPolarHBondContact CD-OE1 3.12Å; K93-E117 VanDerWaalsContact CE-OE1 3.28Å; K93-E117 WeakPolarHBondContact CE-OE1 3.35Å; K93-E117 HydrophobicContact CG-CG 4.01Å; K93-E117 IonicContact NZ-OE1 3.17Å; K93-E117 PolarHBondContact NZ-OE1 3.27Å; K93-E117 IonicContact NZ-OE2 3.17Å; V94-E117 PolarHBondContact N-O 2.86Å; G95-E117 WeakPolarHBondContact CA-O 2.99Å; G95-E117 PolarHBondContact N-O 2.9Å; Y115-E117 VanDerWaalsContact C-N 3.26Å; Y115-E117 PolarHBondContact O-N 2.96Å
118	D	98.7	Very high	98.1	Very high	20 Å²	20	40.9 Å²	40.9	11%	0.107	21%	0.213	C	C	.	.	H	α-helix	trans	-87.2	-44.4	-175.7	-75.9	-28.9	0	0	0	113	M89 G91 Q92 K93 V94 G95 Y115 E116	M89-D118 VanDerWaalsContact CE-O 3.24Å; M89-D118 WeakPolarHBondContact CE-O 3.28Å; M89-D118 VanDerWaalsContact O-CB 3.32Å; M89-D118 WeakPolarHBondContact O-CB 3.37Å; M89-D118 VanDerWaalsContact O-CG 3.32Å; G91-D118 VanDerWaalsContact C-OD1 3.26Å; G91-D118 VanDerWaalsContact CA-OD1 3.25Å; G91-D118 WeakPolarHBondContact CA-OD1 3.25Å; G91-D118 PolarHBondContact N-OD1 3.46Å; G91-D118 VanDerWaalsContact N-OD1 3.14Å; G91-D118 PolarHBondContact N-OD2 3.34Å; Q92-D118 PolarHBondContact N-OD1 2.85Å; K93-D118 PolarHBondContact N-OD1 2.9Å; V94-D118 VanDerWaalsContact CG2-O 3.31Å; V94-D118 WeakPolarHBondContact CG2-O 3.25Å; G95-D118 PolarHBondContact N-O 2.95Å; Y115-D118 PolarHBondContact O-N 2.81Å; E116-D118 VanDerWaalsContact C-N 3.25Å; E116-D118 PolarHBondContact O-N 3.35Å
119	V	98.7	Very high	98	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-113.2	-3.8	-167.8	-51.9	0	0	0	0	114.1	V83 M89 R106 Y115 Y255	V83-V119 HydrophobicContact CG1-CB 4.17Å; V83-V119 HydrophobicContact CG1-CG1 4.38Å; M89-V119 HydrophobicContact CB-CG1 3.86Å; M89-V119 HydrophobicContact CE-CG1 4.02Å; M89-V119 HydrophobicContact CG-CG1 4.23Å; R106-V119 VanDerWaalsContact CZ-O 3.24Å; R106-V119 PolarHBondContact NH1-O 3.14Å; R106-V119 PolarHBondContact NH2-O 2.92Å; Y115-V119 WeakPolarHBondContact O-CG2 3.31Å; Y115-V119 PolarHBondContact O-N 2.78Å; V119-Y255 HydrophobicContact CG1-CD1 4.3Å; V119-Y255 HydrophobicContact CG1-CD2 4.29Å; V119-Y255 HydrophobicContact CG1-CE1 4.1Å; V119-Y255 HydrophobicContact CG1-CE2 4.09Å; V119-Y255 HydrophobicContact CG1-CG 4.41Å; V119-Y255 HydrophobicContact CG2-CE2 4.28Å
120	G	98.4	Very high	98	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.206	C	C	.	.			trans	77.7	170.1	-175.9	0	0	0	0	0	112.8	G95 D99 R106 T112 E116	G95-G120 VanDerWaalsContact CA-CA 3.46Å; D99-G120 VanDerWaalsContact OD2-CA 3.29Å; D99-G120 WeakPolarHBondContact OD2-CA 3.24Å; R106-G120 PolarHBondContact NH2-O 2.85Å; T112-G120 WeakPolarHBondContact CB-O 3.48Å; T112-G120 WeakPolarHBondContact CG2-O 3.19Å; E116-G120 VanDerWaalsContact O-CA 3.24Å; E116-G120 WeakPolarHBondContact O-CA 3.37Å; E116-G120 PolarHBondContact O-N 2.97Å
121	H	97	Very high	97.9	Very high	118 Å²	118	43.9 Å²	43.9	55%	0.546	23%	0.232	S	C	.	.	S	Bend	trans	-104.4	-22	-176.3	69	-75	0	0	0	113.2	D99 E116	D99-H121 PolarHBondContact OD1-N 2.9Å; D99-H121 IonicContact OD2-CE1 2.58Å; D99-H121 PolarHBondContact OD2-CE1 3.28Å; D99-H121 VanDerWaalsContact OD2-CE1 3.3Å; D99-H121 IonicContact OD2-CG 3.18Å; D99-H121 PolarHBondContact OD2-N 2.82Å; D99-H121 IonicContact OD2-ND1 3.18Å; D99-H121 PolarHBondContact OD2-ND1 2.7Å; E116-H121 HydrophobicContact CG-CB 3.94Å
122	M	96.4	Very high	98	Very high	89 Å²	89	43.1 Å²	43.1	44%	0.438	23%	0.228	S	C	.	.			trans	-83.5	147.2	-174.8	-58	-174.1	74.9	0	0	112	D99 I104 R106	D99-M122 HydrophobicContact CB-CG 4.26Å; D99-M122 HydrophobicContact CB-SD 4.18Å; D99-M122 WeakPolarHBondContact OD1-CB 3.5Å; D99-M122 PolarHBondContact OD1-N 2.83Å; I104-M122 HydrophobicContact CD1-CB 3.98Å; I104-M122 HydrophobicContact CG1-CB 4.38Å; I104-M122 WeakPolarHBondContact CG2-O 3.24Å; R106-M122 PolarHBondContact NE-O 3.31Å; R106-M122 PolarHBondContact NH2-O 2.95Å
123	T	98.2	Very high	98	Very high	24 Å²	24	42.9 Å²	42.9	15%	0.147	23%	0.226	C	C	.	.			trans	-144.6	117	169.3	-52.8	0	0	0	0	109	R106 R126 T150	R106-T123 HydrophobicContact CB-CG2 4.09Å; R106-T123 WeakPolarHBondContact CD-OG1 3.29Å; R106-T123 HydrophobicContact CG-CG2 4Å; R106-T123 PolarHBondContact NE-OG1 3.36Å; T123-R126 HydrophobicContact CG2-CB 4.32Å; T123-T150 HydrophobicContact CG2-CG2 3.84Å; T123-T150 PolarHBondContact O-OG1 3.14Å
124	M	98.1	Very high	98.1	Very high	64 Å²	64	40.6 Å²	40.6	32%	0.315	22%	0.222	S	C	.	.	S	Bend	trans	-98	-45.8	176.8	-175.7	-178.1	166.3	0	0	111.4	L75 C103 I104 I151	L75-M124 HydrophobicContact CD1-CE 3.66Å; C103-M124 HydrophobicContact CB-SD 3.84Å; C103-M124 PolarHBondContact SG-SD 3.36Å; I104-M124 PolarHBondContact O-N 2.98Å; M124-I151 PolarHBondContact O-N 3.17Å
125	I	98.6	Very high	98.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	136.7	175.9	-55.8	88.9	0	0	0	109.7	L75 C103 I104 W105 R106 V127 I151 V153	L75-I125 HydrophobicContact CD1-CD1 4.09Å; L75-I125 HydrophobicContact CD1-CG1 4.4Å; L75-I125 HydrophobicContact CD2-CD1 4.18Å; L75-I125 HydrophobicContact CD2-CG1 4.03Å; C103-I125 HydrophobicContact CB-CD1 4.1Å; I104-I125 PolarHBondContact O-N 3.42Å; W105-I125 CarbonylContact C-O 3.47Å; W105-I125 VanDerWaalsContact CA-O 3.29Å; W105-I125 WeakPolarHBondContact CA-O 3.41Å; W105-I125 HydrophobicContact CD2-CB 3.83Å; W105-I125 HydrophobicContact CD2-CD1 4.02Å; W105-I125 HydrophobicContact CD2-CG1 4.23Å; W105-I125 HydrophobicContact CD2-CG2 4.23Å; W105-I125 HydrophobicContact CE3-CB 3.78Å; W105-I125 HydrophobicContact CE3-CG1 4.36Å; W105-I125 HydrophobicContact CE3-CG2 3.63Å; W105-I125 HydrophobicContact CG-CB 4.3Å; W105-I125 HydrophobicContact CG-CD1 4.39Å; W105-I125 HydrophobicContact CH2-CB 4.47Å; W105-I125 HydrophobicContact CH2-CD1 4.38Å; W105-I125 HydrophobicContact CH2-CG1 4.21Å; W105-I125 HydrophobicContact CH2-CG2 4.28Å; W105-I125 HydrophobicContact CZ2-CD1 3.78Å; W105-I125 HydrophobicContact CZ2-CG1 4.11Å; W105-I125 HydrophobicContact CZ3-CB 4.11Å; W105-I125 HydrophobicContact CZ3-CG1 4.35Å; W105-I125 HydrophobicContact CZ3-CG2 3.66Å; R106-I125 PolarHBondContact N-O 2.91Å; I125-V127 HydrophobicContact CG2-CG2 4.25Å; I125-I151 CarbonylContact C-O 3.57Å; I125-I151 WeakPolarHBondContact CA-O 3.38Å; I125-V153 HydrophobicContact CG2-CG2 4.18Å
126	R	98.8	Very high	98.1	Very high	4 Å²	4	37.3 Å²	37.3	2%	0.015	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	112.6	171.5	-170.6	173.1	-80.1	-93.5	2	110.4	R106 N108 A110 T123 V128 T150 I151 Y152 V153	R106-R126 CarbonylContact O-C 3.49Å; R106-R126 VanDerWaalsContact O-CA 3.28Å; R106-R126 WeakPolarHBondContact O-CA 3.32Å; N108-R126 VanDerWaalsContact O-CD 3.26Å; N108-R126 WeakPolarHBondContact O-CD 3.32Å; N108-R126 PolarHBondContact O-NH1 3.32Å; A110-R126 VanDerWaalsContact O-CZ 3.24Å; A110-R126 PolarHBondContact O-NH1 3.03Å; A110-R126 PolarHBondContact O-NH2 3.39Å; T123-R126 HydrophobicContact CG2-CB 4.32Å; R126-V128 HydrophobicContact CG-CG2 3.76Å; R126-T150 HydrophobicContact CB-CG2 3.81Å; R126-I151 PolarHBondContact N-O 3.49Å; R126-Y152 HydrophobicContact CB-CD1 4.15Å; R126-Y152 HydrophobicContact CB-CE1 4.24Å; R126-Y152 HydrophobicContact CG-CD1 4.41Å; R126-Y152 HydrophobicContact CG-CE1 4.35Å; R126-Y152 CarbonylContact O-C 3.28Å; R126-Y152 WeakPolarHBondContact O-CA 3.39Å; R126-V153 PolarHBondContact O-N 2.88Å
127	V	98.9	Very high	98	Very high	3 Å²	3	36 Å²	36	2%	0.018	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	125.7	176.8	-172.7	0	0	0	0	108.4	W105 R106 M107 N108 I125 V153 T217 F220 T221	W105-V127 HydrophobicContact CE3-CG2 4.17Å; W105-V127 HydrophobicContact CZ3-CG2 4.32Å; R106-V127 PolarHBondContact O-N 3.29Å; M107-V127 CarbonylContact C-O 3.54Å; M107-V127 VanDerWaalsContact CA-O 3.28Å; M107-V127 WeakPolarHBondContact CA-O 3.43Å; N108-V127 PolarHBondContact N-O 3.17Å; I125-V127 HydrophobicContact CG2-CG2 4.25Å; V127-V153 CarbonylContact C-O 3.58Å; V127-V153 WeakPolarHBondContact CA-O 2.98Å; V127-T217 HydrophobicContact CB-CG2 4.17Å; V127-T217 HydrophobicContact CG1-CG2 3.95Å; V127-T217 WeakPolarHBondContact O-CG2 3.21Å; V127-F220 HydrophobicContact CG1-CB 4.31Å; V127-T221 WeakPolarHBondContact CB-OG1 3.49Å; V127-T221 HydrophobicContact CG2-CG2 4.14Å
128	V	98.8	Very high	98	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	127.4	-167.5	-176.7	0	0	0	0	109.9	R126 V133 L136 Y152 V153 I154 W155	R126-V128 HydrophobicContact CG-CG2 3.76Å; V128-V133 HydrophobicContact CG1-CG2 4.1Å; V128-L136 HydrophobicContact CG1-CD1 4.01Å; V128-L136 HydrophobicContact CG1-CD2 4.27Å; V128-L136 HydrophobicContact CG2-CD2 4.04Å; V128-Y152 HydrophobicContact CG2-CD1 4.25Å; V128-V153 PolarHBondContact N-O 3.37Å; V128-I154 HydrophobicContact CB-CD1 3.61Å; V128-I154 HydrophobicContact CG1-CD1 4.11Å; V128-I154 HydrophobicContact CG2-CD1 4.03Å; V128-I154 VanDerWaalsContact O-CA 3.32Å; V128-I154 WeakPolarHBondContact O-CA 3.29Å; V128-W155 VanDerWaalsContact O-CD1 3.24Å; V128-W155 PolarHBondContact O-N 2.83Å
129	S	98.1	Very high	97.9	Very high	7 Å²	7	41.6 Å²	41.6	5%	0.049	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	144.5	168.2	-168.6	0	0	0	0	110.6	N108 T131 S132 V133 W155	N108-S129 PolarHBondContact OD1-N 2.86Å; S129-T131 PolarHBondContact O-N 2.87Å; S129-T131 PolarHBondContact OG-OG1 3.03Å; S129-S132 WeakPolarHBondContact O-CA 3.33Å; S129-S132 WeakPolarHBondContact O-CB 3.35Å; S129-S132 PolarHBondContact O-N 2.69Å; S129-V133 PolarHBondContact O-N 2.02Å; S129-W155 CarbonylContact C-O 3.23Å; S129-W155 VanDerWaalsContact CB-CZ2 3.49Å; S129-W155 WeakPolarHBondContact OG-CH2 3.39Å; S129-W155 WeakPolarHBondContact OG-CZ2 3.45Å
130	H	97.5	Very high	97.8	Very high	22 Å²	22	43.3 Å²	43.3	10%	0.102	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	-31.6	173.4	75.7	-66.1	0	0	0	113.3	S132 V133 W155 P157 M161 V169	H130-S132 VanDerWaalsContact C-N 3.3Å; H130-S132 PolarHBondContact O-N 2.93Å; H130-V133 PolarHBondContact O-N 3.35Å; H130-W155 WeakPolarHBondContact CB-O 3.14Å; H130-W155 PolarHBondContact N-O 2.94Å; H130-P157 WeakPolarHBondContact CE1-CD 3.42Å; H130-P157 WeakPolarHBondContact ND1-CD 3.13Å; H130-P157 WeakPolarHBondContact NE2-CD 3.28Å; H130-M161 HydrophobicContact CB-SD 4.16Å; H130-V169 HydrophobicContact CB-CB 4.37Å; H130-V169 HydrophobicContact CB-CG1 4.04Å; H130-V169 HydrophobicContact CB-CG2 4.12Å
131	T	96.3	Very high	97.7	Very high	90 Å²	90	46.5 Å²	46.5	55%	0.552	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71	-23.9	175.8	56.3	0	0	0	0	113.3	S129 P134	S129-T131 PolarHBondContact O-N 2.87Å; S129-T131 PolarHBondContact OG-OG1 3.03Å; T131-P134 WeakPolarHBondContact O-CD 3.49Å
132	S	97.9	Very high	97.7	Very high	13 Å²	13	41.9 Å²	41.9	9%	0.091	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-13.9	177.6	-64	0	0	0	0	113.2	N108 S129 H130 L135 L136	N108-S132 WeakPolarHBondContact CB-OG 3.39Å; N108-S132 PolarHBondContact OD1-OG 3.37Å; S129-S132 WeakPolarHBondContact O-CA 3.33Å; S129-S132 WeakPolarHBondContact O-CB 3.35Å; S129-S132 PolarHBondContact O-N 2.69Å; H130-S132 VanDerWaalsContact C-N 3.3Å; H130-S132 PolarHBondContact O-N 2.93Å; S132-L135 WeakPolarHBondContact O-CA 3.46Å; S132-L135 WeakPolarHBondContact O-CB 3.44Å; S132-L135 PolarHBondContact O-N 2.93Å; S132-L136 VanDerWaalsContact O-CD1 3.23Å; S132-L136 WeakPolarHBondContact O-CD1 3.48Å; S132-L136 PolarHBondContact O-N 2.88Å
133	V	98.5	Very high	97.7	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.024	20%	0.202	C	C	.	.	H	α-helix	trans	-55.1	-47.4	177.4	172.1	0	0	0	0	112.2	V128 S129 H130 L135 L136 L137 I154 V169 L173	V128-V133 HydrophobicContact CG1-CG2 4.1Å; S129-V133 PolarHBondContact O-N 2.02Å; H130-V133 PolarHBondContact O-N 3.35Å; V133-L135 PolarHBondContact O-N 3.49Å; V133-L136 PolarHBondContact O-N 3.2Å; V133-L136 VanDerWaalsContact O-N 3.14Å; V133-L137 HydrophobicContact CG1-CD1 4.08Å; V133-L137 HydrophobicContact CG1-CG 4.46Å; V133-L137 WeakPolarHBondContact O-CG 3.42Å; V133-L137 PolarHBondContact O-N 2.76Å; V133-L137 VanDerWaalsContact O-N 3.15Å; V133-I154 HydrophobicContact CG2-CD1 4.3Å; V133-I154 HydrophobicContact CG2-CG2 3.64Å; V133-V169 HydrophobicContact CB-CG1 3.94Å; V133-V169 HydrophobicContact CG1-CG1 4.11Å; V133-V169 HydrophobicContact CG2-CG1 3.75Å; V133-L173 HydrophobicContact CG1-CD2 3.76Å; V133-L173 HydrophobicContact CG1-CG 4.45Å; V133-L173 HydrophobicContact CG2-CD2 4.11Å
134	P	98.3	Very high	97.7	Very high	57 Å²	57	37.4 Å²	37.4	37%	0.37	20%	0.197	S	C	.	.	H	α-helix	trans	-58.1	-29.4	175	-25.9	35.9	0	0	0	114.1	T131 L137 K138 M172	T131-P134 WeakPolarHBondContact O-CD 3.49Å; P134-L137 PolarHBondContact O-N 2.86Å; P134-K138 PolarHBondContact O-N 2.72Å; P134-M172 HydrophobicContact CG-SD 4.39Å
135	L	97.8	Very high	97.5	Very high	66 Å²	66	40.6 Å²	40.6	35%	0.346	21%	0.209	S	C	.	.	H	α-helix	trans	-72.3	-38	178	-57	178.3	0	0	0	111.8	N109 S132 V133 L137 K138	N109-L135 HydrophobicContact CB-CB 4.02Å; S132-L135 WeakPolarHBondContact O-CA 3.46Å; S132-L135 WeakPolarHBondContact O-CB 3.44Å; S132-L135 PolarHBondContact O-N 2.93Å; V133-L135 PolarHBondContact O-N 3.49Å; L135-L137 VanDerWaalsContact C-N 3.27Å; L135-L137 PolarHBondContact O-N 2.93Å; L135-K138 HydrophobicContact CD2-CD 4.42Å; L135-K138 WeakPolarHBondContact O-CB 3.34Å; L135-K138 PolarHBondContact O-N 2.96Å
136	L	98	Very high	97.3	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-62.2	-39.8	172.3	-83.2	68.2	0	0	0	110.4	N109 V128 S132 V133 K138 N139 F143 F144 Y152	N109-L136 HydrophobicContact CB-CD1 3.85Å; V128-L136 HydrophobicContact CG1-CD1 4.01Å; V128-L136 HydrophobicContact CG1-CD2 4.27Å; V128-L136 HydrophobicContact CG2-CD2 4.04Å; S132-L136 VanDerWaalsContact O-CD1 3.23Å; S132-L136 WeakPolarHBondContact O-CD1 3.48Å; S132-L136 PolarHBondContact O-N 2.88Å; V133-L136 PolarHBondContact O-N 3.2Å; V133-L136 VanDerWaalsContact O-N 3.14Å; L136-K138 PolarHBondContact O-N 3.4Å; L136-N139 CarbonylContact O-C 3.59Å; L136-N139 VanDerWaalsContact O-C 3.28Å; L136-N139 PolarHBondContact O-N 3.13Å; L136-N139 VanDerWaalsContact O-N 3.1Å; L136-F143 HydrophobicContact CB-CD2 3.94Å; L136-F143 HydrophobicContact CB-CE2 4.29Å; L136-F143 HydrophobicContact CB-CG 4.26Å; L136-F143 HydrophobicContact CD2-CD1 4.39Å; L136-F143 HydrophobicContact CD2-CG 4.4Å; L136-F143 HydrophobicContact CG-CD1 4.09Å; L136-F143 HydrophobicContact CG-CD2 3.94Å; L136-F143 HydrophobicContact CG-CE1 4.22Å; L136-F143 HydrophobicContact CG-CE2 4.08Å; L136-F143 HydrophobicContact CG-CG 3.96Å; L136-F143 HydrophobicContact CG-CZ 4.22Å; L136-F143 WeakPolarHBondContact O-CD2 3.18Å; L136-F144 HydrophobicContact CB-CE2 4.32Å; L136-F144 HydrophobicContact CB-CZ 4.16Å; L136-F144 HydrophobicContact CD2-CZ 4.04Å; L136-Y152 HydrophobicContact CD2-CD1 3.75Å; L136-Y152 HydrophobicContact CD2-CE1 3.59Å
137	L	97.7	Very high	97.1	Very high	56 Å²	56	46.8 Å²	46.8	29%	0.293	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-8.1	-179.5	-60.2	175.4	0	0	0	114.2	V133 P134 L135 N139 P140 F144 M172 T176	V133-L137 HydrophobicContact CG1-CD1 4.08Å; V133-L137 HydrophobicContact CG1-CG 4.46Å; V133-L137 WeakPolarHBondContact O-CG 3.42Å; V133-L137 PolarHBondContact O-N 2.76Å; V133-L137 VanDerWaalsContact O-N 3.15Å; P134-L137 PolarHBondContact O-N 2.86Å; L135-L137 VanDerWaalsContact C-N 3.27Å; L135-L137 PolarHBondContact O-N 2.93Å; L137-N139 VanDerWaalsContact C-N 3.29Å; L137-P140 WeakPolarHBondContact O-CD 3.35Å; L137-F144 HydrophobicContact CD2-CE2 3.89Å; L137-M172 HydrophobicContact CD1-CB 3.99Å; L137-M172 HydrophobicContact CD1-CG 4.36Å; L137-M172 HydrophobicContact CD1-SD 4.36Å; L137-T176 HydrophobicContact CD2-CG2 4.29Å; L137-T176 VanDerWaalsContact CD2-OG1 3.28Å; L137-T176 WeakPolarHBondContact CD2-OG1 3.06Å
138	K	97.4	Very high	96.8	Very high	171 Å²	171	50.3 Å²	50.3	74%	0.743	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-25.8	168.1	-70	-177.5	175.2	-178.5	0	112.5	P134 L135 L136	P134-K138 PolarHBondContact O-N 2.72Å; L135-K138 HydrophobicContact CD2-CD 4.42Å; L135-K138 WeakPolarHBondContact O-CB 3.34Å; L135-K138 PolarHBondContact O-N 2.96Å; L136-K138 PolarHBondContact O-N 3.4Å
139	N	96.4	Very high	96.6	Very high	83 Å²	83	53.6 Å²	53.6	44%	0.444	29%	0.288	S	S	.	.	S	Bend	trans	-137.7	66.8	175.9	-168.8	-6.8	0	0	0	110.4	L136 L137 D141 Y142 F143	L136-N139 CarbonylContact O-C 3.59Å; L136-N139 VanDerWaalsContact O-C 3.28Å; L136-N139 PolarHBondContact O-N 3.13Å; L136-N139 VanDerWaalsContact O-N 3.1Å; L137-N139 VanDerWaalsContact C-N 3.29Å; N139-D141 VanDerWaalsContact C-N 3.28Å; N139-D141 PolarHBondContact O-N 2.97Å; N139-Y142 PolarHBondContact O-N 2.93Å; N139-Y142 WeakPolarHBondContact OD1-CB 3.28Å; N139-Y142 PolarHBondContact OD1-N 3.25Å; N139-F143 VanDerWaalsContact O-CD2 3.29Å; N139-F143 WeakPolarHBondContact O-CD2 3.45Å; N139-F143 PolarHBondContact O-N 3.12Å
140	P	96.4	Very high	96.5	Very high	37 Å²	37	53.5 Å²	53.5	24%	0.24	29%	0.287	C	S	.	.	H	α-helix	trans	-69.5	-27.4	-170	30.5	-35.5	0	0	0	112.2	L137 F143 F144 Y180	L137-P140 WeakPolarHBondContact O-CD 3.35Å; P140-F143 PolarHBondContact O-N 3.03Å; P140-F144 HydrophobicContact CB-CD2 3.98Å; P140-F144 HydrophobicContact CB-CE2 4.47Å; P140-F144 WeakPolarHBondContact O-CA 3.32Å; P140-F144 WeakPolarHBondContact O-CB 3.11Å; P140-F144 WeakPolarHBondContact O-CD2 3.46Å; P140-F144 PolarHBondContact O-N 2.96Å; P140-Y180 HydrophobicContact CB-CE2 3.86Å; P140-Y180 WeakPolarHBondContact CB-OH 3.33Å; P140-Y180 WeakPolarHBondContact CG-OH 3.37Å
141	D	96.4	Very high	96.6	Very high	67 Å²	67	53.2 Å²	53.2	36%	0.358	29%	0.286	S	S	.	.	I	π-helix	trans	-66.9	-42.2	176.6	-81.4	-1	0	0	0	111.6	N139 F143 K145 E146 Y180	N139-D141 VanDerWaalsContact C-N 3.28Å; N139-D141 PolarHBondContact O-N 2.97Å; D141-F143 PolarHBondContact O-N 2.85Å; D141-K145 HydrophobicContact CB-CB 4.35Å; D141-K145 HydrophobicContact CB-CD 4.41Å; D141-K145 CarbonylContact O-C 3.54Å; D141-K145 WeakPolarHBondContact O-CA 3.49Å; D141-K145 WeakPolarHBondContact O-CB 3.28Å; D141-K145 PolarHBondContact O-N 2.98Å; D141-E146 PolarHBondContact O-N 2.68Å; D141-Y180 WeakPolarHBondContact OD1-CE1 3.23Å; D141-Y180 PolarHBondContact OD1-OH 2.76Å
142	Y	96.4	Very high	96.7	Very high	21 Å²	21	49 Å²	49	8%	0.082	26%	0.26	C	S	.	.	I	π-helix	trans	-59	-48.8	174.1	172.2	-115.5	0	0	0	111.8	T112 K113 N139 A147	T112-Y142 PolarHBondContact N-OH 3.23Å; T112-Y142 PolarHBondContact OG1-OH 3.32Å; K113-Y142 HydrophobicContact CD-CD2 3.96Å; K113-Y142 HydrophobicContact CD-CE2 3.81Å; K113-Y142 HydrophobicContact CG-CD2 4.47Å; K113-Y142 HydrophobicContact CG-CE2 3.81Å; N139-Y142 PolarHBondContact O-N 2.93Å; N139-Y142 WeakPolarHBondContact OD1-CB 3.28Å; N139-Y142 PolarHBondContact OD1-N 3.25Å; Y142-A147 WeakPolarHBondContact O-CB 3Å; Y142-A147 PolarHBondContact O-N 3.46Å; Y142-A147 VanDerWaalsContact O-N 3.09Å
143	F	97.5	Very high	96.8	Very high	10 Å²	10	48.4 Å²	48.4	4%	0.044	26%	0.256	C	S	.	.	I	π-helix	trans	-77.8	-39.5	-175.1	-70.1	-70.3	0	0	0	113.4	N109 L136 N139 P140 D141 A147 Y152	N109-F143 HydrophobicContact CB-CZ 4.2Å; L136-F143 HydrophobicContact CB-CD2 3.94Å; L136-F143 HydrophobicContact CB-CE2 4.29Å; L136-F143 HydrophobicContact CB-CG 4.26Å; L136-F143 HydrophobicContact CD2-CD1 4.39Å; L136-F143 HydrophobicContact CD2-CG 4.4Å; L136-F143 HydrophobicContact CG-CD1 4.09Å; L136-F143 HydrophobicContact CG-CD2 3.94Å; L136-F143 HydrophobicContact CG-CE1 4.22Å; L136-F143 HydrophobicContact CG-CE2 4.08Å; L136-F143 HydrophobicContact CG-CG 3.96Å; L136-F143 HydrophobicContact CG-CZ 4.22Å; L136-F143 WeakPolarHBondContact O-CD2 3.18Å; N139-F143 VanDerWaalsContact O-CD2 3.29Å; N139-F143 WeakPolarHBondContact O-CD2 3.45Å; N139-F143 PolarHBondContact O-N 3.12Å; P140-F143 PolarHBondContact O-N 3.03Å; D141-F143 PolarHBondContact O-N 2.85Å; F143-A147 WeakPolarHBondContact O-CB 3.26Å; F143-Y152 VanDerWaalsContact C-OH 3.25Å; F143-Y152 WeakPolarHBondContact CA-OH 3.23Å; F143-Y152 HydrophobicContact CB-CE1 4.35Å; F143-Y152 WeakPolarHBondContact CB-OH 3.01Å; F143-Y152 HydrophobicContact CD1-CE1 4.3Å; F143-Y152 VanDerWaalsContact O-CZ 3.31Å; F143-Y152 PolarHBondContact O-OH 3.07Å
144	F	97.1	Very high	96.8	Very high	9 Å²	9	48.3 Å²	48.3	4%	0.039	26%	0.256	C	S	.	.	I	π-helix	trans	-113.1	-12.9	-167.8	-53.2	-63.6	0	0	0	114.5	L136 L137 P140 Y152 T176 Y180 A183 I185	L136-F144 HydrophobicContact CB-CE2 4.32Å; L136-F144 HydrophobicContact CB-CZ 4.16Å; L136-F144 HydrophobicContact CD2-CZ 4.04Å; L137-F144 HydrophobicContact CD2-CE2 3.89Å; P140-F144 HydrophobicContact CB-CD2 3.98Å; P140-F144 HydrophobicContact CB-CE2 4.47Å; P140-F144 WeakPolarHBondContact O-CA 3.32Å; P140-F144 WeakPolarHBondContact O-CB 3.11Å; P140-F144 WeakPolarHBondContact O-CD2 3.46Å; P140-F144 PolarHBondContact O-N 2.96Å; F144-Y152 HydrophobicContact CD1-CD2 4.24Å; F144-Y152 AromaticContact CD1-CE2 3.88Å; F144-Y152 HydrophobicContact CD1-CE2 3.88Å; F144-Y152 HydrophobicContact CE1-CD1 4.06Å; F144-Y152 HydrophobicContact CE1-CD2 4Å; F144-Y152 AromaticContact CE1-CE1 3.94Å; F144-Y152 HydrophobicContact CE1-CE1 3.94Å; F144-Y152 AromaticContact CE1-CE2 3.91Å; F144-Y152 HydrophobicContact CE1-CE2 3.91Å; F144-Y152 HydrophobicContact CE1-CG 4.11Å; F144-Y152 AromaticContact CE1-CZ 3.92Å; F144-T176 HydrophobicContact CD1-CG2 4.22Å; F144-T176 HydrophobicContact CD2-CG2 3.73Å; F144-T176 HydrophobicContact CE1-CG2 4.25Å; F144-T176 HydrophobicContact CE2-CG2 3.79Å; F144-T176 HydrophobicContact CG-CG2 3.96Å; F144-T176 HydrophobicContact CZ-CG2 4.04Å; F144-Y180 HydrophobicContact CB-CD1 3.78Å; F144-Y180 HydrophobicContact CB-CD2 3.84Å; F144-Y180 HydrophobicContact CB-CE1 4.27Å; F144-Y180 HydrophobicContact CB-CE2 4.32Å; F144-Y180 HydrophobicContact CB-CG 3.54Å; F144-Y180 HydrophobicContact CD2-CD2 4.43Å; F144-Y180 HydrophobicContact CG-CD2 4.42Å; F144-A183 HydrophobicContact CB-CB 4.32Å; F144-A183 HydrophobicContact CD1-CB 4.09Å; F144-I185 HydrophobicContact CD1-CD1 4.24Å; F144-I185 HydrophobicContact CE1-CD1 3.85Å; F144-I185 HydrophobicContact CE1-CG1 4.42Å; F144-I185 HydrophobicContact CZ-CD1 4.48Å
145	K	94.9	Very high	96.8	Very high	131 Å²	131	45.9 Å²	45.9	57%	0.57	24%	0.239	S	C	*	.	I	π-helix	trans	-107.3	-53.1	176.1	-172.2	-176.9	179.9	180	0	112.1	D141 N148 Y180	D141-K145 HydrophobicContact CB-CB 4.35Å; D141-K145 HydrophobicContact CB-CD 4.41Å; D141-K145 CarbonylContact O-C 3.54Å; D141-K145 WeakPolarHBondContact O-CA 3.49Å; D141-K145 WeakPolarHBondContact O-CB 3.28Å; D141-K145 PolarHBondContact O-N 2.98Å; K145-N148 WeakPolarHBondContact O-CB 3.35Å; K145-Y180 HydrophobicContact CB-CD1 4.29Å; K145-Y180 HydrophobicContact CB-CE1 3.98Å
146	E	95.1	Very high	96.7	Very high	108 Å²	108	43 Å²	43	51%	0.505	23%	0.226	S	C	.	.	I	π-helix	trans	-73.9	-49	178.2	-60.3	180	-161.8	0	0	110.9	K113 D141 N148	K113-E146 WeakPolarHBondContact CE-OE2 3.02Å; K113-E146 VanDerWaalsContact NZ-CD 3.28Å; K113-E146 IonicContact NZ-OE1 2.68Å; K113-E146 PolarHBondContact NZ-OE1 3.1Å; K113-E146 IonicContact NZ-OE2 2.98Å; K113-E146 PolarHBondContact NZ-OE2 3.38Å; D141-E146 PolarHBondContact O-N 2.68Å; E146-N148 PolarHBondContact O-N 3.37Å
147	A	94	Very high	96.5	Very high	25 Å²	25	44.4 Å²	44.4	21%	0.207	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	42.9	174.3	0	0	0	0	0	112.7	Y142 F143 A149 T150	Y142-A147 WeakPolarHBondContact O-CB 3Å; Y142-A147 PolarHBondContact O-N 3.46Å; Y142-A147 VanDerWaalsContact O-N 3.09Å; F143-A147 WeakPolarHBondContact O-CB 3.26Å; A147-A149 PolarHBondContact O-N 2.86Å; A147-T150 WeakPolarHBondContact O-CB 3.02Å; A147-T150 PolarHBondContact O-N 3.31Å; A147-T150 PolarHBondContact O-OG1 3.23Å
148	N	92.1	Very high	96.3	Very high	78 Å²	78	47.1 Å²	47.1	42%	0.417	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-22.7	-175.4	66.1	5.4	0	0	0	114.5	K145 E146 T150	K145-N148 WeakPolarHBondContact O-CB 3.35Å; E146-N148 PolarHBondContact O-N 3.37Å; N148-T150 VanDerWaalsContact C-N 3.34Å
149	A	93.9	Very high	96.2	Very high	68 Å²	68	48.4 Å²	48.4	56%	0.562	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-12.8	176.8	0	0	0	0	0	112.9	A147 Q184	A147-A149 PolarHBondContact O-N 2.86Å; A149-Q184 PolarHBondContact O-NE2 3.03Å
150	T	97.9	Very high	96.2	Very high	6 Å²	6	46.4 Å²	46.4	4%	0.037	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-71.6	131.5	-179.1	-62.2	0	0	0	0	111	T123 R126 A147 N148 Y152	T123-T150 HydrophobicContact CG2-CG2 3.84Å; T123-T150 PolarHBondContact O-OG1 3.14Å; R126-T150 HydrophobicContact CB-CG2 3.81Å; A147-T150 WeakPolarHBondContact O-CB 3.02Å; A147-T150 PolarHBondContact O-N 3.31Å; A147-T150 PolarHBondContact O-OG1 3.23Å; N148-T150 VanDerWaalsContact C-N 3.34Å; T150-Y152 HydrophobicContact CG2-CD2 4.21Å; T150-Y152 HydrophobicContact CG2-CE1 4.38Å; T150-Y152 HydrophobicContact CG2-CE2 3.76Å; T150-Y152 VanDerWaalsContact O-CD2 3.29Å; T150-Y152 WeakPolarHBondContact O-CD2 3.2Å; T150-Y152 WeakPolarHBondContact O-CE2 3.49Å
151	I	98.6	Very high	96.2	Very high	15 Å²	15	45.7 Å²	45.7	8%	0.077	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	118.3	171.3	-60.7	172.3	0	0	0	108.5	L73 M124 I125 R126 V153 Q184 Y186	L73-I151 HydrophobicContact CD1-CD1 4.35Å; L73-I151 HydrophobicContact CD1-CG2 3.84Å; M124-I151 PolarHBondContact O-N 3.17Å; I125-I151 CarbonylContact C-O 3.57Å; I125-I151 WeakPolarHBondContact CA-O 3.38Å; R126-I151 PolarHBondContact N-O 3.49Å; I151-V153 HydrophobicContact CG2-CG2 4.23Å; I151-Q184 HydrophobicContact CG1-CB 4.25Å; I151-Y186 HydrophobicContact CG2-CD2 3.69Å; I151-Y186 HydrophobicContact CG2-CE2 3.82Å
152	Y	98.8	Very high	96.3	Very high	1 Å²	1	46.2 Å²	46.2	0%	0.004	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	123.2	176.8	-67.1	-94.8	0	0	0	109.9	R126 V128 L136 F143 F144 T150 Q184 Y186	R126-Y152 HydrophobicContact CB-CD1 4.15Å; R126-Y152 HydrophobicContact CB-CE1 4.24Å; R126-Y152 HydrophobicContact CG-CD1 4.41Å; R126-Y152 HydrophobicContact CG-CE1 4.35Å; R126-Y152 CarbonylContact O-C 3.28Å; R126-Y152 WeakPolarHBondContact O-CA 3.39Å; V128-Y152 HydrophobicContact CG2-CD1 4.25Å; L136-Y152 HydrophobicContact CD2-CD1 3.75Å; L136-Y152 HydrophobicContact CD2-CE1 3.59Å; F143-Y152 VanDerWaalsContact C-OH 3.25Å; F143-Y152 WeakPolarHBondContact CA-OH 3.23Å; F143-Y152 HydrophobicContact CB-CE1 4.35Å; F143-Y152 WeakPolarHBondContact CB-OH 3.01Å; F143-Y152 HydrophobicContact CD1-CE1 4.3Å; F143-Y152 VanDerWaalsContact O-CZ 3.31Å; F143-Y152 PolarHBondContact O-OH 3.07Å; F144-Y152 HydrophobicContact CD1-CD2 4.24Å; F144-Y152 AromaticContact CD1-CE2 3.88Å; F144-Y152 HydrophobicContact CD1-CE2 3.88Å; F144-Y152 HydrophobicContact CE1-CD1 4.06Å; F144-Y152 HydrophobicContact CE1-CD2 4Å; F144-Y152 AromaticContact CE1-CE1 3.94Å; F144-Y152 HydrophobicContact CE1-CE1 3.94Å; F144-Y152 AromaticContact CE1-CE2 3.91Å; F144-Y152 HydrophobicContact CE1-CE2 3.91Å; F144-Y152 HydrophobicContact CE1-CG 4.11Å; F144-Y152 AromaticContact CE1-CZ 3.92Å; T150-Y152 HydrophobicContact CG2-CD2 4.21Å; T150-Y152 HydrophobicContact CG2-CE1 4.38Å; T150-Y152 HydrophobicContact CG2-CE2 3.76Å; T150-Y152 VanDerWaalsContact O-CD2 3.29Å; T150-Y152 WeakPolarHBondContact O-CD2 3.2Å; T150-Y152 WeakPolarHBondContact O-CE2 3.49Å; Y152-Q184 PolarHBondContact N-O 3.13Å; Y152-Y186 PolarHBondContact O-N 2.87Å
153	V	98.8	Very high	96.2	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.012	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	105.5	175.7	-177	0	0	0	0	108.9	Y64 L73 I125 R126 V127 V128 I151 L224	Y64-V153 HydrophobicContact CD1-CG1 3.42Å; Y64-V153 VanDerWaalsContact CD1-CG1 3.42Å; Y64-V153 HydrophobicContact CE1-CG1 3.84Å; Y64-V153 HydrophobicContact CG-CG1 4.26Å; L73-V153 HydrophobicContact CD2-CG2 4.25Å; I125-V153 HydrophobicContact CG2-CG2 4.18Å; R126-V153 PolarHBondContact O-N 2.88Å; V127-V153 CarbonylContact C-O 3.58Å; V127-V153 WeakPolarHBondContact CA-O 2.98Å; V128-V153 PolarHBondContact N-O 3.37Å; I151-V153 HydrophobicContact CG2-CG2 4.23Å; V153-L224 HydrophobicContact CB-CD2 4.41Å; V153-L224 HydrophobicContact CG1-CD2 4.07Å; V153-L224 HydrophobicContact CG2-CD2 4.05Å
154	I	98.8	Very high	96.1	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.01	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	126.5	-174.5	-40.5	-57.9	0	0	0	110.5	V128 V133 M161 L173 I185 Y186 V187 T188	V128-I154 HydrophobicContact CB-CD1 3.61Å; V128-I154 HydrophobicContact CG1-CD1 4.11Å; V128-I154 HydrophobicContact CG2-CD1 4.03Å; V128-I154 VanDerWaalsContact O-CA 3.32Å; V128-I154 WeakPolarHBondContact O-CA 3.29Å; V133-I154 HydrophobicContact CG2-CD1 4.3Å; V133-I154 HydrophobicContact CG2-CG2 3.64Å; I154-M161 HydrophobicContact CB-CE 4.37Å; I154-M161 HydrophobicContact CG2-CE 4.09Å; I154-L173 HydrophobicContact CB-CD1 4.03Å; I154-L173 HydrophobicContact CD1-CD2 4.32Å; I154-L173 HydrophobicContact CG1-CD1 3.74Å; I154-L173 HydrophobicContact CG1-CD2 3.95Å; I154-L173 HydrophobicContact CG2-CD1 4.07Å; I154-I185 HydrophobicContact CD1-CG2 4.5Å; I154-I185 HydrophobicContact CG1-CG2 3.92Å; I154-Y186 PolarHBondContact N-O 3.37Å; I154-V187 HydrophobicContact CB-CG1 4.41Å; I154-V187 WeakPolarHBondContact O-CA 2.87Å; I154-T188 PolarHBondContact O-N 3.38Å; I154-T188 PolarHBondContact O-OG1 2.87Å
155	W	98.3	Very high	96	Very high	6 Å²	6	55.6 Å²	55.6	2%	0.023	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	147.3	174.4	71.7	-91.3	0	0	0	111	V128 S129 H130 M193 L215 T217 F220	V128-W155 VanDerWaalsContact O-CD1 3.24Å; V128-W155 PolarHBondContact O-N 2.83Å; S129-W155 CarbonylContact C-O 3.23Å; S129-W155 VanDerWaalsContact CB-CZ2 3.49Å; S129-W155 WeakPolarHBondContact OG-CH2 3.39Å; S129-W155 WeakPolarHBondContact OG-CZ2 3.45Å; H130-W155 WeakPolarHBondContact CB-O 3.14Å; H130-W155 PolarHBondContact N-O 2.94Å; W155-M193 HydrophobicContact CB-SD 4.04Å; W155-M193 HydrophobicContact CE3-CE 4.11Å; W155-L215 WeakPolarHBondContact CH2-O 3.06Å; W155-T217 WeakPolarHBondContact CZ2-OG1 2.95Å; W155-T217 PolarHBondContact NE1-OG1 3.16Å; W155-F220 HydrophobicContact CB-CD1 4.26Å; W155-F220 HydrophobicContact CB-CD2 4.47Å; W155-F220 HydrophobicContact CB-CG 4.25Å; W155-F220 AromaticContact CD1-CD2 3.95Å; W155-F220 AromaticContact CD2-CD2 3.36Å; W155-F220 HydrophobicContact CD2-CD2 3.36Å; W155-F220 AromaticContact CD2-CE2 3.36Å; W155-F220 HydrophobicContact CD2-CE2 3.36Å; W155-F220 HydrophobicContact CD2-CG 4.02Å; W155-F220 AromaticContact CD2-CZ 3.99Å; W155-F220 HydrophobicContact CD2-CZ 3.99Å; W155-F220 AromaticContact CE2-CD2 3.43Å; W155-F220 VanDerWaalsContact CE2-CD2 3.43Å; W155-F220 AromaticContact CE2-CE2 3.68Å; W155-F220 AromaticContact CE3-CD2 3.77Å; W155-F220 HydrophobicContact CE3-CD2 3.77Å; W155-F220 HydrophobicContact CE3-CE1 4.39Å; W155-F220 AromaticContact CE3-CE2 3.2Å; W155-F220 HydrophobicContact CE3-CE2 3.2Å; W155-F220 AromaticContact CE3-CZ 3.57Å; W155-F220 HydrophobicContact CE3-CZ 3.57Å; W155-F220 HydrophobicContact CG-CB 4.34Å; W155-F220 HydrophobicContact CG-CD1 4.32Å; W155-F220 AromaticContact CG-CD2 3.7Å; W155-F220 HydrophobicContact CG-CD2 3.7Å; W155-F220 HydrophobicContact CG-CE2 4.07Å; W155-F220 AromaticContact CG-CG 3.86Å; W155-F220 HydrophobicContact CG-CG 3.86Å; W155-F220 HydrophobicContact CH2-CD2 4.22Å; W155-F220 AromaticContact CH2-CE2 3.7Å; W155-F220 HydrophobicContact CH2-CE2 3.7Å; W155-F220 AromaticContact CZ2-CD2 3.88Å; W155-F220 HydrophobicContact CZ2-CD2 3.88Å; W155-F220 AromaticContact CZ2-CE2 3.85Å; W155-F220 HydrophobicContact CZ2-CE2 3.85Å; W155-F220 HydrophobicContact CZ3-CD2 4.18Å; W155-F220 AromaticContact CZ3-CE2 3.38Å; W155-F220 HydrophobicContact CZ3-CE2 3.38Å; W155-F220 AromaticContact CZ3-CZ 3.95Å; W155-F220 HydrophobicContact CZ3-CZ 3.95Å; W155-F220 AromaticContact NE1-CD2 3.8Å
156	G	95.7	Very high	96.1	Very high	6 Å²	6	54 Å²	54	6%	0.062	28%	0.279	C	S	.	.			trans	-175.7	166.8	-179.5	0	0	0	0	0	113.9	M193	G156-M193 WeakPolarHBondContact O-CE 3.43Å
157	P	93.8	Very high	96.2	Very high	31 Å²	31	48.8 Å²	48.8	20%	0.201	26%	0.255	C	S	.	.			trans	-65.6	147.4	175.3	29.8	-34.2	0	0	0	110.5	H130 R159 N160 M161	H130-P157 WeakPolarHBondContact CE1-CD 3.42Å; H130-P157 WeakPolarHBondContact ND1-CD 3.13Å; H130-P157 WeakPolarHBondContact NE2-CD 3.28Å; P157-R159 VanDerWaalsContact C-N 3.25Å; P157-R159 PolarHBondContact O-N 3.35Å; P157-R159 VanDerWaalsContact O-N 3.14Å; P157-N160 HydrophobicContact CG-CB 4.23Å; P157-N160 PolarHBondContact O-N 2.98Å; P157-M161 PolarHBondContact O-N 3.24Å
158	F	93.9	Very high	96.4	Very high	112 Å²	112	52.7 Å²	52.7	49%	0.491	27%	0.271	S	S	.	.	H	α-helix	trans	-47.1	-47.9	-178.5	173.5	-112.7	0	0	0	112.5	N160 M161 R162 E190	F158-N160 PolarHBondContact O-N 2.76Å; F158-N160 VanDerWaalsContact O-N 3.12Å; F158-M161 CarbonylContact O-C 3.52Å; F158-M161 PolarHBondContact O-N 3.27Å; F158-R162 HydrophobicContact CD1-CG 4.31Å; F158-R162 HydrophobicContact CD2-CG 4.4Å; F158-R162 HydrophobicContact CE1-CG 3.97Å; F158-R162 HydrophobicContact CE2-CG 4.07Å; F158-R162 HydrophobicContact CZ-CG 3.85Å; F158-R162 VanDerWaalsContact O-CG 3.31Å; F158-R162 WeakPolarHBondContact O-CG 3.39Å; F158-R162 PolarHBondContact O-N 3.17Å; F158-E190 HydrophobicContact CD2-CG 3.8Å; F158-E190 WeakPolarHBondContact CD2-OE1 3.46Å; F158-E190 VanDerWaalsContact CE2-CD 3.47Å; F158-E190 HydrophobicContact CE2-CG 4.47Å; F158-E190 WeakPolarHBondContact CE2-OE1 3.48Å
159	R	94.9	Very high	96.7	Very high	198 Å²	198	49.3 Å²	49.3	75%	0.747	25%	0.253	S	S	*	.	H	α-helix	trans	-49.2	-42.4	-180	-178.8	179.3	169	-177.6	-3.3	113.5	P157	P157-R159 VanDerWaalsContact C-N 3.25Å; P157-R159 PolarHBondContact O-N 3.35Å; P157-R159 VanDerWaalsContact O-N 3.14Å
160	N	96.8	Very high	97	Very high	41 Å²	41	46.8 Å²	46.8	22%	0.219	23%	0.229	C	C	.	.	H	α-helix	trans	-86.5	-18	-177.2	-69.1	57.8	0	0	0	112.6	P157 F158 G167 I168 V169 Y170	P157-N160 HydrophobicContact CG-CB 4.23Å; P157-N160 PolarHBondContact O-N 2.98Å; F158-N160 PolarHBondContact O-N 2.76Å; F158-N160 VanDerWaalsContact O-N 3.12Å; N160-G167 CarbonylContact O-C 3.55Å; N160-G167 VanDerWaalsContact O-C 3.23Å; N160-G167 WeakPolarHBondContact O-CA 3.43Å; N160-I168 PolarHBondContact O-N 2.78Å; N160-V169 HydrophobicContact CB-CB 4.37Å; N160-V169 HydrophobicContact CB-CG2 4.09Å; N160-V169 WeakPolarHBondContact O-CB 3.46Å; N160-V169 PolarHBondContact O-N 2.88Å; N160-Y170 PolarHBondContact O-N 2.77Å
161	M	97.3	Very high	97	Very high	22 Å²	22	48.9 Å²	48.9	11%	0.108	24%	0.24	C	C	.	.	H	α-helix	trans	-107	7.7	-174.7	-57.8	-56.8	-66.9	0	0	113.6	H130 I154 P157 F158 K163 V169 L173 V187	H130-M161 HydrophobicContact CB-SD 4.16Å; I154-M161 HydrophobicContact CB-CE 4.37Å; I154-M161 HydrophobicContact CG2-CE 4.09Å; P157-M161 PolarHBondContact O-N 3.24Å; F158-M161 CarbonylContact O-C 3.52Å; F158-M161 PolarHBondContact O-N 3.27Å; M161-K163 PolarHBondContact O-N 3Å; M161-V169 HydrophobicContact SD-CB 3.93Å; M161-V169 HydrophobicContact SD-CG1 3.78Å; M161-L173 HydrophobicContact CE-CD1 4.01Å; M161-V187 HydrophobicContact CE-CB 3.94Å; M161-V187 HydrophobicContact CE-CG1 3.48Å; M161-V187 VanDerWaalsContact CE-CG1 3.48Å
162	R	96.8	Very high	97	Very high	78 Å²	78	51.2 Å²	51.2	29%	0.294	25%	0.252	S	S	.	.			trans	-56.5	134.6	178	-67	179.1	63.2	-161.9	3.3	111.7	F158 D164 N166 G167 Y170	F158-R162 HydrophobicContact CD1-CG 4.31Å; F158-R162 HydrophobicContact CD2-CG 4.4Å; F158-R162 HydrophobicContact CE1-CG 3.97Å; F158-R162 HydrophobicContact CE2-CG 4.07Å; F158-R162 HydrophobicContact CZ-CG 3.85Å; F158-R162 VanDerWaalsContact O-CG 3.31Å; F158-R162 WeakPolarHBondContact O-CG 3.39Å; F158-R162 PolarHBondContact O-N 3.17Å; R162-D164 VanDerWaalsContact CZ-CG 3.45Å; R162-D164 IonicContact CZ-OD1 3.37Å; R162-D164 IonicContact CZ-OD2 3.61Å; R162-D164 IonicContact NE-OD1 3.38Å; R162-D164 PolarHBondContact NE-OD1 3.14Å; R162-D164 VanDerWaalsContact NE-OD1 3.17Å; R162-D164 IonicContact NE-OD2 3.28Å; R162-D164 PolarHBondContact NE-OD2 3.14Å; R162-D164 IonicContact NH1-OD1 3.4Å; R162-D164 IonicContact NH2-OD1 3.1Å; R162-D164 PolarHBondContact NH2-OD1 3.05Å; R162-D164 IonicContact NH2-OD2 2.73Å; R162-D164 PolarHBondContact NH2-OD2 3Å; R162-N166 PolarHBondContact NH1-ND2 3.01Å; R162-N166 PolarHBondContact NH2-ND2 3.06Å; R162-G167 VanDerWaalsContact O-CA 3.28Å; R162-G167 WeakPolarHBondContact O-CA 3.5Å; R162-G167 PolarHBondContact O-N 3.36Å; R162-Y170 WeakPolarHBondContact O-CB 3.23Å
163	K	95.6	Very high	96.9	Very high	109 Å²	109	51.3 Å²	51.3	47%	0.474	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-9.8	-179.7	-58	-169.9	176.4	-177.2	0	114.2	M161 G165 Y170	M161-K163 PolarHBondContact O-N 3Å; K163-G165 PolarHBondContact O-N 2.66Å; K163-Y170 HydrophobicContact CB-CD1 4.42Å; K163-Y170 HydrophobicContact CB-CE1 4.06Å; K163-Y170 HydrophobicContact CD-CE2 4.18Å; K163-Y170 HydrophobicContact CG-CD1 4.31Å; K163-Y170 HydrophobicContact CG-CD2 4.18Å; K163-Y170 HydrophobicContact CG-CE1 3.93Å; K163-Y170 HydrophobicContact CG-CE2 3.8Å; K163-Y170 HydrophobicContact CG-CG 4.43Å
164	D	95.6	Very high	96.9	Very high	88 Å²	88	57 Å²	57	47%	0.471	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	18.6	-177.2	56.4	38.2	0	0	0	114.5	R162 N166	R162-D164 VanDerWaalsContact CZ-CG 3.45Å; R162-D164 IonicContact CZ-OD1 3.37Å; R162-D164 IonicContact CZ-OD2 3.61Å; R162-D164 IonicContact NE-OD1 3.38Å; R162-D164 PolarHBondContact NE-OD1 3.14Å; R162-D164 VanDerWaalsContact NE-OD1 3.17Å; R162-D164 IonicContact NE-OD2 3.28Å; R162-D164 PolarHBondContact NE-OD2 3.14Å; R162-D164 IonicContact NH1-OD1 3.4Å; R162-D164 IonicContact NH2-OD1 3.1Å; R162-D164 PolarHBondContact NH2-OD1 3.05Å; R162-D164 IonicContact NH2-OD2 2.73Å; R162-D164 PolarHBondContact NH2-OD2 3Å; D164-N166 VanDerWaalsContact C-N 3.32Å; D164-N166 PolarHBondContact O-N 3.18Å; D164-N166 VanDerWaalsContact OD1-CB 3.29Å; D164-N166 WeakPolarHBondContact OD1-CB 3.25Å; D164-N166 PolarHBondContact OD1-N 2.96Å; D164-N166 VanDerWaalsContact OD1-N 3.07Å; D164-N166 PolarHBondContact OD1-ND2 3.28Å
165	G	94.9	Very high	96.9	Very high	41 Å²	41	63.7 Å²	63.7	42%	0.423	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.8	-6.3	-179.1	0	0	0	0	0	114.7	K163 N171	K163-G165 PolarHBondContact O-N 2.66Å; G165-N171 PolarHBondContact O-ND2 2.84Å
166	N	97.1	Very high	96.8	Very high	96 Å²	96	63.7 Å²	63.7	51%	0.513	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-6.8	175.9	-60.8	-69.4	0	0	0	114.1	R162 D164 I168	R162-N166 PolarHBondContact NH1-ND2 3.01Å; R162-N166 PolarHBondContact NH2-ND2 3.06Å; D164-N166 VanDerWaalsContact C-N 3.32Å; D164-N166 PolarHBondContact O-N 3.18Å; D164-N166 VanDerWaalsContact OD1-CB 3.29Å; D164-N166 WeakPolarHBondContact OD1-CB 3.25Å; D164-N166 PolarHBondContact OD1-N 2.96Å; D164-N166 VanDerWaalsContact OD1-N 3.07Å; D164-N166 PolarHBondContact OD1-ND2 3.28Å; N166-I168 PolarHBondContact O-N 3.46Å
167	G	97.7	Very high	96.9	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	31%	0.305	C	S	.	.			trans	-81.5	97.2	178.2	0	0	0	0	0	110.5	N160 R162 V169 Y170 N171	N160-G167 CarbonylContact O-C 3.55Å; N160-G167 VanDerWaalsContact O-C 3.23Å; N160-G167 WeakPolarHBondContact O-CA 3.43Å; R162-G167 VanDerWaalsContact O-CA 3.28Å; R162-G167 WeakPolarHBondContact O-CA 3.5Å; R162-G167 PolarHBondContact O-N 3.36Å; G167-V169 VanDerWaalsContact C-N 3.26Å; G167-V169 PolarHBondContact O-N 3.09Å; G167-Y170 PolarHBondContact O-N 3.22Å; G167-Y170 VanDerWaalsContact O-N 3.14Å; G167-N171 WeakPolarHBondContact O-CB 3.28Å; G167-N171 PolarHBondContact O-N 2.02Å; G167-N171 PolarHBondContact O-ND2 2.83Å
168	I	98.1	Very high	97	Very high	106 Å²	106	67.7 Å²	67.7	54%	0.544	33%	0.325	S	S	.	.	H	α-helix	trans	-50.7	-47	-175.8	-62.1	173.2	0	0	0	111.6	N160 N166 M172	N160-I168 PolarHBondContact O-N 2.78Å; N166-I168 PolarHBondContact O-N 3.46Å; I168-M172 HydrophobicContact CG2-CE 3.78Å; I168-M172 WeakPolarHBondContact O-CG 3.24Å; I168-M172 PolarHBondContact O-N 2.73Å
169	V	98.4	Very high	97.2	Very high	7 Å²	7	68 Å²	68	4%	0.042	33%	0.331	C	S	.	.	H	α-helix	trans	-74.8	-42.6	-178.3	176.9	0	0	0	0	110.8	H130 V133 N160 M161 G167 N171 M172 L173	H130-V169 HydrophobicContact CB-CB 4.37Å; H130-V169 HydrophobicContact CB-CG1 4.04Å; H130-V169 HydrophobicContact CB-CG2 4.12Å; V133-V169 HydrophobicContact CB-CG1 3.94Å; V133-V169 HydrophobicContact CG1-CG1 4.11Å; V133-V169 HydrophobicContact CG2-CG1 3.75Å; N160-V169 HydrophobicContact CB-CB 4.37Å; N160-V169 HydrophobicContact CB-CG2 4.09Å; N160-V169 WeakPolarHBondContact O-CB 3.46Å; N160-V169 PolarHBondContact O-N 2.88Å; M161-V169 HydrophobicContact SD-CB 3.93Å; M161-V169 HydrophobicContact SD-CG1 3.78Å; G167-V169 VanDerWaalsContact C-N 3.26Å; G167-V169 PolarHBondContact O-N 3.09Å; V169-N171 VanDerWaalsContact C-N 3.27Å; V169-N171 PolarHBondContact O-N 3.26Å; V169-M172 WeakPolarHBondContact O-CB 3.39Å; V169-M172 PolarHBondContact O-N 3.14Å; V169-M172 VanDerWaalsContact O-N 3.11Å; V169-L173 HydrophobicContact CG1-CD1 4.4Å; V169-L173 HydrophobicContact CG1-CG 4.47Å; V169-L173 WeakPolarHBondContact O-CG 3.45Å; V169-L173 PolarHBondContact O-N 3.13Å
170	Y	98.3	Very high	97.3	Very high	16 Å²	16	60.4 Å²	60.4	6%	0.063	30%	0.302	C	S	.	.	H	α-helix	trans	-57.8	-41.4	175.7	-171	-92.9	0	0	0	112.1	V67 N160 R162 K163 G167 M172 L173 K174 V187	V67-Y170 HydrophobicContact CG2-CE2 4.44Å; N160-Y170 PolarHBondContact O-N 2.77Å; R162-Y170 WeakPolarHBondContact O-CB 3.23Å; K163-Y170 HydrophobicContact CB-CD1 4.42Å; K163-Y170 HydrophobicContact CB-CE1 4.06Å; K163-Y170 HydrophobicContact CD-CE2 4.18Å; K163-Y170 HydrophobicContact CG-CD1 4.31Å; K163-Y170 HydrophobicContact CG-CD2 4.18Å; K163-Y170 HydrophobicContact CG-CE1 3.93Å; K163-Y170 HydrophobicContact CG-CE2 3.8Å; K163-Y170 HydrophobicContact CG-CG 4.43Å; G167-Y170 PolarHBondContact O-N 3.22Å; G167-Y170 VanDerWaalsContact O-N 3.14Å; Y170-M172 PolarHBondContact O-N 3.21Å; Y170-L173 PolarHBondContact O-N 3.01Å; Y170-K174 PolarHBondContact O-N 3.11Å; Y170-V187 HydrophobicContact CD2-CG1 4.2Å; Y170-V187 HydrophobicContact CE2-CG1 4.3Å; Y170-V187 HydrophobicContact CE2-CG2 4.13Å
171	N	98.4	Very high	97.1	Very high	50 Å²	50	61.8 Å²	61.8	27%	0.267	31%	0.314	S	S	.	.	H	α-helix	trans	-64.1	-38.8	176.5	-67.7	-18.2	0	0	0	112.4	G165 G167 V169 K174 K175	G165-N171 PolarHBondContact O-ND2 2.84Å; G167-N171 WeakPolarHBondContact O-CB 3.28Å; G167-N171 PolarHBondContact O-N 2.02Å; G167-N171 PolarHBondContact O-ND2 2.83Å; V169-N171 VanDerWaalsContact C-N 3.27Å; V169-N171 PolarHBondContact O-N 3.26Å; N171-K174 PolarHBondContact O-N 2.83Å; N171-K175 WeakPolarHBondContact O-CG 3.37Å; N171-K175 PolarHBondContact O-N 3.24Å; N171-K175 VanDerWaalsContact O-N 3.08Å
172	M	98.4	Very high	96.9	Very high	64 Å²	64	66.5 Å²	66.5	32%	0.315	34%	0.339	S	S	.	.	H	α-helix	trans	-60.1	-48.9	172.7	-70.9	170.2	178.7	0	0	110.5	P134 L137 I168 V169 Y170 K174 K175 T176	P134-M172 HydrophobicContact CG-SD 4.39Å; L137-M172 HydrophobicContact CD1-CB 3.99Å; L137-M172 HydrophobicContact CD1-CG 4.36Å; L137-M172 HydrophobicContact CD1-SD 4.36Å; I168-M172 HydrophobicContact CG2-CE 3.78Å; I168-M172 WeakPolarHBondContact O-CG 3.24Å; I168-M172 PolarHBondContact O-N 2.73Å; V169-M172 WeakPolarHBondContact O-CB 3.39Å; V169-M172 PolarHBondContact O-N 3.14Å; V169-M172 VanDerWaalsContact O-N 3.11Å; Y170-M172 PolarHBondContact O-N 3.21Å; M172-K174 VanDerWaalsContact C-N 3.32Å; M172-K174 PolarHBondContact O-N 3.5Å; M172-K175 PolarHBondContact O-N 3.21Å; M172-T176 PolarHBondContact O-N 2.8Å; M172-T176 PolarHBondContact O-OG1 3.27Å
173	L	98.3	Very high	96.9	Very high	3 Å²	3	63.2 Å²	63.2	2%	0.016	33%	0.329	C	S	.	.	H	α-helix	trans	-61.3	-39.8	178.7	-60.6	172.9	0	0	0	112.3	V67 V133 I154 M161 V169 Y170 T176 V177 I185 V187	V67-L173 HydrophobicContact CG2-CB 4.38Å; V133-L173 HydrophobicContact CG1-CD2 3.76Å; V133-L173 HydrophobicContact CG1-CG 4.45Å; V133-L173 HydrophobicContact CG2-CD2 4.11Å; I154-L173 HydrophobicContact CB-CD1 4.03Å; I154-L173 HydrophobicContact CD1-CD2 4.32Å; I154-L173 HydrophobicContact CG1-CD1 3.74Å; I154-L173 HydrophobicContact CG1-CD2 3.95Å; I154-L173 HydrophobicContact CG2-CD1 4.07Å; M161-L173 HydrophobicContact CE-CD1 4.01Å; V169-L173 HydrophobicContact CG1-CD1 4.4Å; V169-L173 HydrophobicContact CG1-CG 4.47Å; V169-L173 WeakPolarHBondContact O-CG 3.45Å; V169-L173 PolarHBondContact O-N 3.13Å; Y170-L173 PolarHBondContact O-N 3.01Å; L173-T176 WeakPolarHBondContact O-CB 3.31Å; L173-T176 PolarHBondContact O-N 3.28Å; L173-V177 PolarHBondContact O-N 3.41Å; L173-I185 HydrophobicContact CB-CG2 4.4Å; L173-I185 HydrophobicContact CD1-CG2 4.34Å; L173-I185 HydrophobicContact CD2-CG2 3.99Å; L173-I185 HydrophobicContact CG-CG2 4.46Å; L173-V187 HydrophobicContact CD1-CG1 3.75Å
174	K	97.8	Very high	97	Very high	120 Å²	120	61.2 Å²	61.2	52%	0.522	32%	0.321	S	S	.	.	H	α-helix	trans	-59.1	-48.7	175.5	-169.6	179.9	-179.7	-178.7	0	110.9	Y170 N171 M172 T176 V177 D178	Y170-K174 PolarHBondContact O-N 3.11Å; N171-K174 PolarHBondContact O-N 2.83Å; M172-K174 VanDerWaalsContact C-N 3.32Å; M172-K174 PolarHBondContact O-N 3.5Å; K174-T176 VanDerWaalsContact C-N 3.29Å; K174-T176 PolarHBondContact O-N 2.87Å; K174-V177 WeakPolarHBondContact O-CG2 3.45Å; K174-V177 PolarHBondContact O-N 2.92Å; K174-D178 VanDerWaalsContact O-CG 3.27Å; K174-D178 PolarHBondContact O-N 2.88Å; K174-D178 VanDerWaalsContact O-N 3.16Å
175	K	97.9	Very high	97.1	Very high	143 Å²	143	57 Å²	57	62%	0.622	30%	0.299	S	S	*	.	H	α-helix	trans	-61	-38.2	174.5	-68.7	177.5	-179.8	-175.2	0	112.1	N171 M172 D178 I179	N171-K175 WeakPolarHBondContact O-CG 3.37Å; N171-K175 PolarHBondContact O-N 3.24Å; N171-K175 VanDerWaalsContact O-N 3.08Å; M172-K175 PolarHBondContact O-N 3.21Å; K175-D178 PolarHBondContact O-N 3.08Å; K175-I179 WeakPolarHBondContact O-CG1 3.47Å; K175-I179 PolarHBondContact O-N 3.25Å; K175-I179 VanDerWaalsContact O-N 3.15Å
176	T	97.8	Very high	97.3	Very high	7 Å²	7	56.2 Å²	56.2	4%	0.043	28%	0.283	C	S	.	.	H	α-helix	trans	-62.1	-45.3	177.1	-56.3	0	0	0	0	111.9	L137 F144 M172 L173 K174 D178 I179 Y180 I185	L137-T176 HydrophobicContact CD2-CG2 4.29Å; L137-T176 VanDerWaalsContact CD2-OG1 3.28Å; L137-T176 WeakPolarHBondContact CD2-OG1 3.06Å; F144-T176 HydrophobicContact CD1-CG2 4.22Å; F144-T176 HydrophobicContact CD2-CG2 3.73Å; F144-T176 HydrophobicContact CE1-CG2 4.25Å; F144-T176 HydrophobicContact CE2-CG2 3.79Å; F144-T176 HydrophobicContact CG-CG2 3.96Å; F144-T176 HydrophobicContact CZ-CG2 4.04Å; M172-T176 PolarHBondContact O-N 2.8Å; M172-T176 PolarHBondContact O-OG1 3.27Å; L173-T176 WeakPolarHBondContact O-CB 3.31Å; L173-T176 PolarHBondContact O-N 3.28Å; K174-T176 VanDerWaalsContact C-N 3.29Å; K174-T176 PolarHBondContact O-N 2.87Å; T176-D178 VanDerWaalsContact C-N 3.26Å; T176-D178 PolarHBondContact O-N 2.54Å; T176-I179 PolarHBondContact O-N 3.2Å; T176-Y180 HydrophobicContact CG2-CD2 4.05Å; T176-Y180 PolarHBondContact O-N 3.38Å; T176-I185 HydrophobicContact CG2-CD1 3.79Å
177	V	96.7	Very high	97.4	Very high	5 Å²	5	52 Å²	52	3%	0.03	26%	0.261	C	S	.	.	H	α-helix	trans	-70.5	-22.6	179	-61	0	0	0	0	113.1	V67 K68 L173 K174 Y180 P181 I185	V67-V177 HydrophobicContact CB-CG1 4.33Å; V67-V177 HydrophobicContact CG1-CG1 4.39Å; V67-V177 HydrophobicContact CG1-CG2 3.99Å; K68-V177 HydrophobicContact CB-CB 4.5Å; K68-V177 HydrophobicContact CB-CG2 4.35Å; L173-V177 PolarHBondContact O-N 3.41Å; K174-V177 WeakPolarHBondContact O-CG2 3.45Å; K174-V177 PolarHBondContact O-N 2.92Å; V177-Y180 CarbonylContact O-C 3.48Å; V177-P181 WeakPolarHBondContact O-CA 3.35Å; V177-I185 HydrophobicContact CG1-CB 4.01Å; V177-I185 HydrophobicContact CG1-CD1 3.83Å; V177-I185 HydrophobicContact CG1-CG1 4.04Å
178	D	96.4	Very high	97.4	Very high	115 Å²	115	52.7 Å²	52.7	62%	0.615	27%	0.265	S	S	*	.	H	α-helix	trans	-70.9	-38.9	172	-64.5	-25.4	0	0	0	111.1	K174 K175 T176	K174-D178 VanDerWaalsContact O-CG 3.27Å; K174-D178 PolarHBondContact O-N 2.88Å; K174-D178 VanDerWaalsContact O-N 3.16Å; K175-D178 PolarHBondContact O-N 3.08Å; T176-D178 VanDerWaalsContact C-N 3.26Å; T176-D178 PolarHBondContact O-N 2.54Å
179	I	97.1	Very high	97.4	Very high	120 Å²	120	49.4 Å²	49.4	62%	0.615	25%	0.25	S	C	*	.	H	α-helix	trans	-79.5	-40.2	179	-62.2	165.8	0	0	0	111.8	K175 T176 P181	K175-I179 WeakPolarHBondContact O-CG1 3.47Å; K175-I179 PolarHBondContact O-N 3.25Å; K175-I179 VanDerWaalsContact O-N 3.15Å; T176-I179 PolarHBondContact O-N 3.2Å; I179-P181 VanDerWaalsContact O-CD 3.22Å; I179-P181 WeakPolarHBondContact O-CD 3.13Å
180	Y	97.1	Very high	97.3	Very high	37 Å²	37	54.6 Å²	54.6	15%	0.145	27%	0.274	C	S	.	.	S	Bend	trans	-115.2	79.5	-178.6	-60.1	-84.8	0	0	0	109.3	P140 D141 F144 K145 T176 V177 N182 A183	P140-Y180 HydrophobicContact CB-CE2 3.86Å; P140-Y180 WeakPolarHBondContact CB-OH 3.33Å; P140-Y180 WeakPolarHBondContact CG-OH 3.37Å; D141-Y180 WeakPolarHBondContact OD1-CE1 3.23Å; D141-Y180 PolarHBondContact OD1-OH 2.76Å; F144-Y180 HydrophobicContact CB-CD1 3.78Å; F144-Y180 HydrophobicContact CB-CD2 3.84Å; F144-Y180 HydrophobicContact CB-CE1 4.27Å; F144-Y180 HydrophobicContact CB-CE2 4.32Å; F144-Y180 HydrophobicContact CB-CG 3.54Å; F144-Y180 HydrophobicContact CD2-CD2 4.43Å; F144-Y180 HydrophobicContact CG-CD2 4.42Å; K145-Y180 HydrophobicContact CB-CD1 4.29Å; K145-Y180 HydrophobicContact CB-CE1 3.98Å; T176-Y180 HydrophobicContact CG2-CD2 4.05Å; T176-Y180 PolarHBondContact O-N 3.38Å; V177-Y180 CarbonylContact O-C 3.48Å; Y180-N182 PolarHBondContact O-N 2.7Å; Y180-N182 VanDerWaalsContact O-N 3.07Å; Y180-A183 WeakPolarHBondContact O-CB 3.34Å; Y180-A183 PolarHBondContact O-N 3.3Å
181	P	93.4	Very high	97.2	Very high	71 Å²	71	62.4 Å²	62.4	46%	0.461	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-17.3	-169.8	25.1	-35.8	0	0	0	114.7	K68 V177 I179	K68-P181 PolarHBondContact NZ-O 2.9Å; V177-P181 WeakPolarHBondContact O-CA 3.35Å; I179-P181 VanDerWaalsContact O-CD 3.22Å; I179-P181 WeakPolarHBondContact O-CD 3.13Å
182	N	93.9	Very high	97.2	Very high	120 Å²	120	61.5 Å²	61.5	64%	0.642	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-8.9	175.9	-63.3	-23.5	0	0	0	112.8	Y180 Q184	Y180-N182 PolarHBondContact O-N 2.7Å; Y180-N182 VanDerWaalsContact O-N 3.07Å; N182-Q184 PolarHBondContact O-N 2.82Å
183	A	95.8	Very high	97.1	Very high	10 Å²	10	59.7 Å²	59.7	8%	0.083	29%	0.292	C	S	.	.			trans	-65.7	125.5	-179.7	0	0	0	0	0	110.5	F144 Y180 I185	F144-A183 HydrophobicContact CB-CB 4.32Å; F144-A183 HydrophobicContact CD1-CB 4.09Å; Y180-A183 WeakPolarHBondContact O-CB 3.34Å; Y180-A183 PolarHBondContact O-N 3.3Å; A183-I185 HydrophobicContact CB-CD1 4.23Å; A183-I185 HydrophobicContact CB-CG1 4.09Å; A183-I185 PolarHBondContact O-N 3.4Å
184	Q	97.6	Very high	96.9	Very high	66 Å²	66	63.3 Å²	63.3	31%	0.308	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	85.7	179.7	-67.2	179.4	81.5	0	0	109.7	A149 I151 Y152 N182 Y186	A149-Q184 PolarHBondContact O-NE2 3.03Å; I151-Q184 HydrophobicContact CG1-CB 4.25Å; Y152-Q184 PolarHBondContact N-O 3.13Å; N182-Q184 PolarHBondContact O-N 2.82Å; Q184-Y186 HydrophobicContact CB-CE2 4.31Å
185	I	98.6	Very high	96.9	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	121.2	-177.3	-53.2	-174.7	0	0	0	110.4	N66 V67 F144 I154 L173 T176 V177 A183	N66-I185 CarbonylContact C-O 3.54Å; N66-I185 WeakPolarHBondContact CA-O 3.4Å; V67-I185 HydrophobicContact CG2-CB 4.31Å; V67-I185 HydrophobicContact CG2-CG2 3.85Å; V67-I185 WeakPolarHBondContact CG2-O 3.44Å; V67-I185 PolarHBondContact N-O 3.34Å; F144-I185 HydrophobicContact CD1-CD1 4.24Å; F144-I185 HydrophobicContact CE1-CD1 3.85Å; F144-I185 HydrophobicContact CE1-CG1 4.42Å; F144-I185 HydrophobicContact CZ-CD1 4.48Å; I154-I185 HydrophobicContact CD1-CG2 4.5Å; I154-I185 HydrophobicContact CG1-CG2 3.92Å; L173-I185 HydrophobicContact CB-CG2 4.4Å; L173-I185 HydrophobicContact CD1-CG2 4.34Å; L173-I185 HydrophobicContact CD2-CG2 3.99Å; L173-I185 HydrophobicContact CG-CG2 4.46Å; T176-I185 HydrophobicContact CG2-CD1 3.79Å; V177-I185 HydrophobicContact CG1-CB 4.01Å; V177-I185 HydrophobicContact CG1-CD1 3.83Å; V177-I185 HydrophobicContact CG1-CG1 4.04Å; A183-I185 HydrophobicContact CB-CD1 4.23Å; A183-I185 HydrophobicContact CB-CG1 4.09Å; A183-I185 PolarHBondContact O-N 3.4Å
186	Y	98.8	Very high	96.8	Very high	24 Å²	24	56.5 Å²	56.5	9%	0.094	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	148.1	176.8	-66.6	-101	0	0	0	110.4	I65 N66 L73 I151 Y152 I154 Q184	I65-Y186 CarbonylContact O-C 3.58Å; I65-Y186 VanDerWaalsContact O-CA 3.28Å; I65-Y186 WeakPolarHBondContact O-CA 3.44Å; N66-Y186 HydrophobicContact CB-CD1 3.93Å; N66-Y186 HydrophobicContact CB-CE1 3.62Å; N66-Y186 VanDerWaalsContact N-CD1 3.29Å; L73-Y186 VanDerWaalsContact CA-CE1 3.46Å; L73-Y186 HydrophobicContact CB-CD1 3.79Å; L73-Y186 HydrophobicContact CB-CE1 3.79Å; L73-Y186 HydrophobicContact CB-CG 4.46Å; L73-Y186 HydrophobicContact CD1-CD1 4.34Å; L73-Y186 HydrophobicContact CD1-CD2 4.24Å; L73-Y186 HydrophobicContact CD1-CE1 4.08Å; L73-Y186 HydrophobicContact CD1-CE2 3.97Å; L73-Y186 HydrophobicContact CD1-CG 4.43Å; I151-Y186 HydrophobicContact CG2-CD2 3.69Å; I151-Y186 HydrophobicContact CG2-CE2 3.82Å; Y152-Y186 PolarHBondContact O-N 2.87Å; I154-Y186 PolarHBondContact N-O 3.37Å; Q184-Y186 HydrophobicContact CB-CE2 4.31Å
187	V	98.7	Very high	96.6	Very high	8 Å²	8	57.9 Å²	57.9	5%	0.048	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	137.9	172.8	-63.9	0	0	0	0	110.5	Y64 I65 V67 I154 M161 Y170 L173 T189	Y64-V187 WeakPolarHBondContact CA-O 3.21Å; I65-V187 PolarHBondContact N-O 3.03Å; I65-V187 PolarHBondContact O-N 3.12Å; V67-V187 HydrophobicContact CG2-CG1 3.68Å; I154-V187 HydrophobicContact CB-CG1 4.41Å; I154-V187 WeakPolarHBondContact O-CA 2.87Å; M161-V187 HydrophobicContact CE-CB 3.94Å; M161-V187 HydrophobicContact CE-CG1 3.48Å; M161-V187 VanDerWaalsContact CE-CG1 3.48Å; Y170-V187 HydrophobicContact CD2-CG1 4.2Å; Y170-V187 HydrophobicContact CE2-CG1 4.3Å; Y170-V187 HydrophobicContact CE2-CG2 4.13Å; L173-V187 HydrophobicContact CD1-CG1 3.75Å; V187-T189 PolarHBondContact O-N 3.49Å
188	T	98.5	Very high	96.5	Very high	14 Å²	14	59.5 Å²	59.5	9%	0.086	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	126.7	172.3	-53.3	0	0	0	0	109.7	Y64 I154 R192 M193	Y64-T188 HydrophobicContact CD1-CG2 4.23Å; Y64-T188 HydrophobicContact CE1-CG2 3.95Å; I154-T188 PolarHBondContact O-N 3.38Å; I154-T188 PolarHBondContact O-OG1 2.87Å; T188-R192 HydrophobicContact CG2-CB 3.76Å; T188-R192 HydrophobicContact CG2-CG 3.72Å; T188-M193 HydrophobicContact CG2-CG 3.88Å; T188-M193 HydrophobicContact CG2-SD 3.79Å
189	T	97.9	Very high	96.5	Very high	37 Å²	37	55.1 Å²	55.1	23%	0.227	29%	0.287	C	S	.	.			trans	-68.4	155.6	178	59.9	0	0	0	0	111.8	G63 I65 V187 K191 R192 M193	G63-T189 WeakPolarHBondContact O-CG2 3.44Å; G63-T189 PolarHBondContact O-N 3.07Å; G63-T189 PolarHBondContact O-OG1 3.46Å; I65-T189 HydrophobicContact CG1-CG2 3.56Å; V187-T189 PolarHBondContact O-N 3.49Å; T189-K191 VanDerWaalsContact C-N 3.27Å; T189-K191 PolarHBondContact O-N 2.9Å; T189-R192 PolarHBondContact O-N 3.27Å; T189-R192 WeakPolarHBondContact OG1-CB 3.46Å; T189-R192 PolarHBondContact OG1-N 3.06Å; T189-M193 WeakPolarHBondContact O-CG 3.43Å; T189-M193 PolarHBondContact O-N 3.32Å
190	E	96.1	Very high	96.4	Very high	117 Å²	117	49.5 Å²	49.5	55%	0.547	26%	0.259	S	S	.	.	H	α-helix	trans	-56.1	-41.9	174.5	-70.6	171.2	-124.2	0	0	112.4	F158 R192 M193 S194	F158-E190 HydrophobicContact CD2-CG 3.8Å; F158-E190 WeakPolarHBondContact CD2-OE1 3.46Å; F158-E190 VanDerWaalsContact CE2-CD 3.47Å; F158-E190 HydrophobicContact CE2-CG 4.47Å; F158-E190 WeakPolarHBondContact CE2-OE1 3.48Å; E190-R192 VanDerWaalsContact C-N 3.29Å; E190-R192 PolarHBondContact O-N 3.28Å; E190-M193 WeakPolarHBondContact O-CB 3.46Å; E190-M193 PolarHBondContact O-N 3.2Å; E190-S194 PolarHBondContact O-N 3.27Å; E190-S194 PolarHBondContact O-OG 3.09Å
191	K	97.1	Very high	96.3	Very high	179 Å²	179	52.3 Å²	52.3	78%	0.778	27%	0.272	S	S	*	.	H	α-helix	trans	-58.8	-42	175.5	-175.5	176.4	179.8	179	0	111.6	T189 Y195	T189-K191 VanDerWaalsContact C-N 3.27Å; T189-K191 PolarHBondContact O-N 2.9Å; K191-Y195 WeakPolarHBondContact O-CB 2.95Å; K191-Y195 PolarHBondContact O-N 3.41Å
192	R	97.6	Very high	96.4	Very high	32 Å²	32	57.6 Å²	57.6	12%	0.121	29%	0.287	C	S	.	.	H	α-helix	trans	-72.8	-35	178.2	-174	59.2	176.9	-156.6	-8.1	112.2	G63 Y64 T188 T189 E190 Y195 C196 I223 D227	G63-R192 WeakPolarHBondContact O-CB 3.39Å; Y64-R192 HydrophobicContact CE1-CG 4.2Å; Y64-R192 HydrophobicContact CE2-CG 4.4Å; Y64-R192 PolarHBondContact OH-NE 3.14Å; Y64-R192 VanDerWaalsContact OH-NE 3.08Å; Y64-R192 PolarHBondContact OH-NH2 3.11Å; T188-R192 HydrophobicContact CG2-CB 3.76Å; T188-R192 HydrophobicContact CG2-CG 3.72Å; T189-R192 PolarHBondContact O-N 3.27Å; T189-R192 WeakPolarHBondContact OG1-CB 3.46Å; T189-R192 PolarHBondContact OG1-N 3.06Å; E190-R192 VanDerWaalsContact C-N 3.29Å; E190-R192 PolarHBondContact O-N 3.28Å; R192-Y195 WeakPolarHBondContact O-CB 3.4Å; R192-Y195 PolarHBondContact O-N 2.5Å; R192-C196 PolarHBondContact O-N 3.24Å; R192-C196 PolarHBondContact O-SG 3.06Å; R192-I223 PolarHBondContact NH2-O 3.34Å; R192-D227 IonicContact CZ-OD2 3.3Å; R192-D227 VanDerWaalsContact CZ-OD2 3.28Å; R192-D227 IonicContact NH1-OD2 3.62Å; R192-D227 PolarHBondContact NH1-OD2 3.47Å; R192-D227 IonicContact NH2-OD2 2.66Å; R192-D227 PolarHBondContact NH2-OD2 3.41Å
193	M	96.1	Very high	96.4	Very high	25 Å²	25	54 Å²	54	12%	0.123	27%	0.267	C	S	.	.	H	α-helix	trans	-59.5	-49.9	170.6	-70.5	-65.5	-58.6	0	0	111.1	W155 G156 T188 T189 E190 Y195 C196 D197 F220	W155-M193 HydrophobicContact CB-SD 4.04Å; W155-M193 HydrophobicContact CE3-CE 4.11Å; G156-M193 WeakPolarHBondContact O-CE 3.43Å; T188-M193 HydrophobicContact CG2-CG 3.88Å; T188-M193 HydrophobicContact CG2-SD 3.79Å; T189-M193 WeakPolarHBondContact O-CG 3.43Å; T189-M193 PolarHBondContact O-N 3.32Å; E190-M193 WeakPolarHBondContact O-CB 3.46Å; E190-M193 PolarHBondContact O-N 3.2Å; M193-Y195 VanDerWaalsContact C-N 3.3Å; M193-Y195 PolarHBondContact O-N 2.94Å; M193-C196 WeakPolarHBondContact O-CB 3.33Å; M193-C196 PolarHBondContact O-N 2.63Å; M193-C196 VanDerWaalsContact O-N 3.1Å; M193-D197 PolarHBondContact O-N 3.48Å; M193-F220 HydrophobicContact CE-CE1 3.8Å; M193-F220 HydrophobicContact CE-CZ 3.63Å; M193-F220 HydrophobicContact SD-CD1 4.37Å; M193-F220 HydrophobicContact SD-CE1 3.56Å; M193-F220 VanDerWaalsContact SD-CE1 3.56Å; M193-F220 HydrophobicContact SD-CZ 4.01Å
194	S	95.1	Very high	96.3	Very high	80 Å²	80	55.1 Å²	55.1	56%	0.559	27%	0.272	S	S	*	.	H	α-helix	trans	-61.9	-36	176.5	-62	0	0	0	0	112.7	E190 D197 G198	E190-S194 PolarHBondContact O-N 3.27Å; E190-S194 PolarHBondContact O-OG 3.09Å; S194-D197 PolarHBondContact O-N 3.08Å; S194-G198 PolarHBondContact O-N 3.45Å
195	Y	96.7	Very high	95.9	Very high	120 Å²	120	55.1 Å²	55.1	47%	0.471	29%	0.291	S	S	.	.	H	α-helix	trans	-61.4	-46.3	172.1	173	-93.8	0	0	0	111.6	K191 R192 M193 D197 G198 V199 I223	K191-Y195 WeakPolarHBondContact O-CB 2.95Å; K191-Y195 PolarHBondContact O-N 3.41Å; R192-Y195 WeakPolarHBondContact O-CB 3.4Å; R192-Y195 PolarHBondContact O-N 2.5Å; M193-Y195 VanDerWaalsContact C-N 3.3Å; M193-Y195 PolarHBondContact O-N 2.94Å; Y195-D197 VanDerWaalsContact C-N 3.32Å; Y195-D197 PolarHBondContact O-N 3.09Å; Y195-G198 PolarHBondContact O-N 3.46Å; Y195-G198 VanDerWaalsContact O-N 3.12Å; Y195-V199 HydrophobicContact CD1-CG2 4.14Å; Y195-V199 HydrophobicContact CE1-CG2 3.66Å; Y195-V199 HydrophobicContact CE2-CG2 4.1Å; Y195-V199 WeakPolarHBondContact O-CG2 3.43Å; Y195-V199 PolarHBondContact O-N 3.42Å; Y195-I223 HydrophobicContact CE1-CG2 4.2Å
196	C	95.9	Very high	95.3	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-61.4	-41.1	178.5	-62.6	0	0	0	0	112.1	R192 M193 V199 F200 L215 W219 F220 I223	R192-C196 PolarHBondContact O-N 3.24Å; R192-C196 PolarHBondContact O-SG 3.06Å; M193-C196 WeakPolarHBondContact O-CB 3.33Å; M193-C196 PolarHBondContact O-N 2.63Å; M193-C196 VanDerWaalsContact O-N 3.1Å; C196-V199 PolarHBondContact O-N 3.34Å; C196-F200 PolarHBondContact O-N 3.45Å; C196-F200 VanDerWaalsContact O-N 3.12Å; C196-L215 HydrophobicContact CB-CD1 4.15Å; C196-W219 PolarHBondContact O-NE1 2.84Å; C196-F220 HydrophobicContact CB-CD1 4.08Å; C196-F220 HydrophobicContact CB-CE1 3.68Å; C196-I223 HydrophobicContact CB-CD1 3.92Å
197	D	93.6	Very high	94.5	Very high	35 Å²	35	61.1 Å²	61.1	19%	0.187	32%	0.319	C	S	.	.	H	α-helix	trans	-62.3	-42.2	173.4	-78.5	-9	0	0	0	111.2	M193 S194 Y195 F200 K201 R208 L215	M193-D197 PolarHBondContact O-N 3.48Å; S194-D197 PolarHBondContact O-N 3.08Å; Y195-D197 VanDerWaalsContact C-N 3.32Å; Y195-D197 PolarHBondContact O-N 3.09Å; D197-F200 PolarHBondContact O-N 3.43Å; D197-K201 PolarHBondContact O-N 2.96Å; D197-R208 VanDerWaalsContact CG-NE 3.35Å; D197-R208 WeakPolarHBondContact OD1-CD 3.45Å; D197-R208 IonicContact OD1-CZ 3.65Å; D197-R208 IonicContact OD1-NE 3.71Å; D197-R208 PolarHBondContact OD1-NE 2.99Å; D197-R208 IonicContact OD1-NH2 2.7Å; D197-R208 IonicContact OD2-CZ 3.75Å; D197-R208 IonicContact OD2-NE 3.26Å; D197-R208 PolarHBondContact OD2-NE 2.92Å; D197-R208 IonicContact OD2-NH2 2.72Å; D197-R208 PolarHBondContact OD2-NH2 2.82Å; D197-L215 WeakPolarHBondContact OD1-CD1 3.48Å
198	G	95.6	Very high	93.6	Very high	39 Å²	39	62.8 Å²	62.8	40%	0.402	32%	0.324	S	S	.	.	H	α-helix	trans	-64.4	-40.3	176.9	0	0	0	0	0	113.6	S194 Y195 F200 K201 K202	S194-G198 PolarHBondContact O-N 3.45Å; Y195-G198 PolarHBondContact O-N 3.46Å; Y195-G198 VanDerWaalsContact O-N 3.12Å; G198-F200 VanDerWaalsContact C-N 3.34Å; G198-K201 PolarHBondContact O-N 2.85Å; G198-K202 WeakPolarHBondContact O-CB 3.44Å; G198-K202 PolarHBondContact O-N 3.1Å
199	V	96.2	Very high	92.3	Very high	23 Å²	23	66.9 Å²	66.9	14%	0.139	35%	0.349	C	S	.	.	H	α-helix	trans	-61.7	-44.2	173.7	176.9	0	0	0	0	110	Y195 C196 K201 K202 E203 W219 I223 W289	Y195-V199 HydrophobicContact CD1-CG2 4.14Å; Y195-V199 HydrophobicContact CE1-CG2 3.66Å; Y195-V199 HydrophobicContact CE2-CG2 4.1Å; Y195-V199 WeakPolarHBondContact O-CG2 3.43Å; Y195-V199 PolarHBondContact O-N 3.42Å; C196-V199 PolarHBondContact O-N 3.34Å; V199-K201 PolarHBondContact O-N 3.06Å; V199-K202 PolarHBondContact O-N 3.47Å; V199-E203 HydrophobicContact CG1-CG 4.16Å; V199-E203 WeakPolarHBondContact O-CB 3.37Å; V199-E203 VanDerWaalsContact O-CG 3.3Å; V199-E203 WeakPolarHBondContact O-CG 3.34Å; V199-E203 PolarHBondContact O-N 3Å; V199-W219 HydrophobicContact CB-CZ2 4.21Å; V199-W219 HydrophobicContact CG1-CH2 4.43Å; V199-W219 HydrophobicContact CG1-CZ2 3.8Å; V199-I223 HydrophobicContact CB-CD1 4.22Å; V199-I223 HydrophobicContact CG1-CD1 4.31Å; V199-I223 HydrophobicContact CG2-CD1 4.46Å; V199-W289 HydrophobicContact CG1-CH2 4.33Å; V199-W289 HydrophobicContact CG1-CZ2 3.71Å
200	F	94.3	Very high	90.9	Very high	2 Å²	2	73 Å²	73	1%	0.009	38%	0.375	C	S	.	.	H	α-helix	trans	-61.9	-45.8	179.4	-177.6	-94.7	0	0	0	111.6	C196 D197 G198 K202 E203 T204 K206 L215 W219 R278 T281 E282	C196-F200 PolarHBondContact O-N 3.45Å; C196-F200 VanDerWaalsContact O-N 3.12Å; D197-F200 PolarHBondContact O-N 3.43Å; G198-F200 VanDerWaalsContact C-N 3.34Å; F200-K202 VanDerWaalsContact C-N 3.31Å; F200-K202 PolarHBondContact O-N 2.84Å; F200-E203 PolarHBondContact O-N 3.22Å; F200-T204 HydrophobicContact CD1-CG2 4.44Å; F200-T204 HydrophobicContact CD2-CG2 4.01Å; F200-T204 HydrophobicContact CE1-CG2 4.22Å; F200-T204 WeakPolarHBondContact CE1-OG1 3.42Å; F200-T204 HydrophobicContact CE2-CG2 3.78Å; F200-T204 HydrophobicContact CG-CG2 4.35Å; F200-T204 HydrophobicContact CZ-CG2 3.89Å; F200-T204 WeakPolarHBondContact O-CB 3.37Å; F200-T204 WeakPolarHBondContact O-CG2 3.42Å; F200-T204 PolarHBondContact O-N 3.34Å; F200-T204 PolarHBondContact O-OG1 3.36Å; F200-K206 HydrophobicContact CE1-CB 4.35Å; F200-L215 HydrophobicContact CB-CD2 3.67Å; F200-L215 HydrophobicContact CD1-CD2 4.2Å; F200-L215 HydrophobicContact CD2-CD2 3.31Å; F200-L215 HydrophobicContact CE2-CD2 3.93Å; F200-L215 HydrophobicContact CG-CD2 3.46Å; F200-L215 VanDerWaalsContact CG-CD2 3.46Å; F200-W219 HydrophobicContact CB-CH2 4.14Å; F200-W219 HydrophobicContact CB-CZ2 3.59Å; F200-W219 HydrophobicContact CD2-CD2 4.38Å; F200-W219 HydrophobicContact CD2-CE3 4.24Å; F200-W219 AromaticContact CD2-CH2 3.82Å; F200-W219 HydrophobicContact CD2-CH2 3.82Å; F200-W219 AromaticContact CD2-CZ2 3.98Å; F200-W219 HydrophobicContact CD2-CZ2 3.98Å; F200-W219 AromaticContact CD2-CZ3 3.96Å; F200-W219 HydrophobicContact CD2-CZ3 3.96Å; F200-W219 HydrophobicContact CG-CH2 4.44Å; F200-W219 HydrophobicContact CG-CZ2 4.29Å; F200-R278 HydrophobicContact CZ-CB 4.19Å; F200-R278 HydrophobicContact CZ-CG 4.31Å; F200-T281 HydrophobicContact CE2-CG2 4.32Å; F200-T281 HydrophobicContact CZ-CG2 4.2Å; F200-E282 HydrophobicContact CE2-CG 4.01Å
201	K	94.4	Very high	89.3	Confident	97 Å²	97	69 Å²	69	42%	0.422	36%	0.36	S	S	.	.	H	α-helix	trans	-59.9	-41.9	175.9	-175.4	172.3	-171.4	161.1	0	112	D197 G198 V199 G205 K206 D207	D197-K201 PolarHBondContact O-N 2.96Å; G198-K201 PolarHBondContact O-N 2.85Å; V199-K201 PolarHBondContact O-N 3.06Å; K201-G205 WeakPolarHBondContact O-CA 3.4Å; K201-G205 PolarHBondContact O-N 3.14Å; K201-K206 WeakPolarHBondContact CA-O 3.28Å; K201-D207 HydrophobicContact CD-CB 4.38Å; K201-D207 IonicContact NZ-OD2 2.87Å; K201-D207 PolarHBondContact NZ-OD2 3.1Å
202	K	95.6	Very high	88.1	Confident	181 Å²	181	61.2 Å²	61.2	79%	0.787	33%	0.331	S	S	*	.	H	α-helix	trans	-64.2	-42.1	177.2	-176.8	-178.3	177.5	-177	0	112.3	G198 V199 F200	G198-K202 WeakPolarHBondContact O-CB 3.44Å; G198-K202 PolarHBondContact O-N 3.1Å; V199-K202 PolarHBondContact O-N 3.47Å; F200-K202 VanDerWaalsContact C-N 3.31Å; F200-K202 PolarHBondContact O-N 2.84Å
203	E	95.3	Very high	87.1	Confident	45 Å²	45	59.7 Å²	59.7	21%	0.21	33%	0.325	C	S	.	.	H	α-helix	trans	-78.4	-28.1	-175.6	-69.3	-70.5	176.9	0	0	113.6	V199 F200 W219 V285 W289	V199-E203 HydrophobicContact CG1-CG 4.16Å; V199-E203 WeakPolarHBondContact O-CB 3.37Å; V199-E203 VanDerWaalsContact O-CG 3.3Å; V199-E203 WeakPolarHBondContact O-CG 3.34Å; V199-E203 PolarHBondContact O-N 3Å; F200-E203 PolarHBondContact O-N 3.22Å; E203-W219 HydrophobicContact CB-CH2 4.43Å; E203-W219 HydrophobicContact CG-CH2 4.48Å; E203-V285 HydrophobicContact CB-CB 4.44Å; E203-V285 HydrophobicContact CB-CG1 3.72Å; E203-V285 HydrophobicContact CB-CG2 3.79Å; E203-V285 HydrophobicContact CG-CG1 3.69Å; E203-W289 HydrophobicContact CG-CZ2 4.26Å; E203-W289 PolarHBondContact OE1-NE1 2.59Å
204	T	91.9	Very high	86.4	Confident	33 Å²	33	63 Å²	63	20%	0.202	34%	0.337	C	S	.	.	H	α-helix	trans	-114.7	-16.5	-171.9	69	0	0	0	0	114.3	F200 K206 T281 V285	F200-T204 HydrophobicContact CD1-CG2 4.44Å; F200-T204 HydrophobicContact CD2-CG2 4.01Å; F200-T204 HydrophobicContact CE1-CG2 4.22Å; F200-T204 WeakPolarHBondContact CE1-OG1 3.42Å; F200-T204 HydrophobicContact CE2-CG2 3.78Å; F200-T204 HydrophobicContact CG-CG2 4.35Å; F200-T204 HydrophobicContact CZ-CG2 3.89Å; F200-T204 WeakPolarHBondContact O-CB 3.37Å; F200-T204 WeakPolarHBondContact O-CG2 3.42Å; F200-T204 PolarHBondContact O-N 3.34Å; F200-T204 PolarHBondContact O-OG1 3.36Å; T204-K206 PolarHBondContact O-N 3.31Å; T204-K206 PolarHBondContact OG1-N 3.29Å; T204-K206 VanDerWaalsContact OG1-N 3.1Å; T204-T281 HydrophobicContact CG2-CG2 3.58Å; T204-V285 HydrophobicContact CG2-CG2 3.87Å
205	G	90.9	Very high	86.2	Confident	67 Å²	67	59.3 Å²	59.3	69%	0.691	31%	0.311	S	S	*	.	S	Bend	trans	70.6	1.5	-169	0	0	0	0	0	114.2	K201	K201-G205 WeakPolarHBondContact O-CA 3.4Å; K201-G205 PolarHBondContact O-N 3.14Å
206	K	84.4	Confident	86.2	Confident	111 Å²	111	54 Å²	54	48%	0.483	29%	0.291	S	S	.	.			trans	-107.6	130	-175.4	-65.2	-177.1	-178.7	179.4	0	111	F200 K201 T204	F200-K206 HydrophobicContact CE1-CB 4.35Å; K201-K206 WeakPolarHBondContact CA-O 3.28Å; T204-K206 PolarHBondContact O-N 3.31Å; T204-K206 PolarHBondContact OG1-N 3.29Å; T204-K206 VanDerWaalsContact OG1-N 3.1Å
207	D	82.6	Confident	86.3	Confident	38 Å²	38	54.6 Å²	54.6	20%	0.203	30%	0.295	C	S	.	.			trans	-79.6	124.7	170.8	-167.9	-70.8	0	0	0	110	K201 V209 Q210 S211	K201-D207 HydrophobicContact CD-CB 4.38Å; K201-D207 IonicContact NZ-OD2 2.87Å; K201-D207 PolarHBondContact NZ-OD2 3.1Å; D207-V209 VanDerWaalsContact C-N 3.35Å; D207-V209 PolarHBondContact O-N 3.24Å; D207-V209 WeakPolarHBondContact OD1-CB 3.39Å; D207-V209 PolarHBondContact OD1-N 3.04Å; D207-Q210 HydrophobicContact CB-CB 3.98Å; D207-Q210 HydrophobicContact CB-CG 3.89Å; D207-Q210 PolarHBondContact O-N 3.48Å; D207-Q210 PolarHBondContact OD1-N 3.37Å; D207-Q210 VanDerWaalsContact OD1-N 3.16Å; D207-S211 VanDerWaalsContact O-CB 3.24Å; D207-S211 WeakPolarHBondContact O-CB 3.49Å; D207-S211 PolarHBondContact O-N 2.97Å; D207-S211 PolarHBondContact O-OG 3.49Å
208	R	79	Confident	86.5	Confident	43 Å²	43	53.3 Å²	53.3	16%	0.162	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-45.2	-178.5	-179.1	-172.8	72.6	65.1	3.9	112	D197 S211 G212 S213	D197-R208 VanDerWaalsContact CG-NE 3.35Å; D197-R208 WeakPolarHBondContact OD1-CD 3.45Å; D197-R208 IonicContact OD1-CZ 3.65Å; D197-R208 IonicContact OD1-NE 3.71Å; D197-R208 PolarHBondContact OD1-NE 2.99Å; D197-R208 IonicContact OD1-NH2 2.7Å; D197-R208 IonicContact OD2-CZ 3.75Å; D197-R208 IonicContact OD2-NE 3.26Å; D197-R208 PolarHBondContact OD2-NE 2.92Å; D197-R208 IonicContact OD2-NH2 2.72Å; D197-R208 PolarHBondContact OD2-NH2 2.82Å; R208-S211 WeakPolarHBondContact CA-OG 3.36Å; R208-S211 CarbonylContact O-C 3.59Å; R208-S211 PolarHBondContact O-N 2.91Å; R208-S211 PolarHBondContact O-OG 3.04Å; R208-S211 VanDerWaalsContact O-OG 3.05Å; R208-G212 PolarHBondContact O-N 3.02Å; R208-G212 VanDerWaalsContact O-N 3.17Å; R208-S213 WeakPolarHBondContact CD-O 3.26Å; R208-S213 WeakPolarHBondContact CG-O 3.45Å; R208-S213 PolarHBondContact NH1-O 3.29Å; R208-S213 PolarHBondContact O-N 3.11Å; R208-S213 VanDerWaalsContact O-N 3.11Å
209	V	72.2	Confident	86.6	Confident	100 Å²	100	51.4 Å²	51.4	61%	0.606	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-45	-176.2	178.7	0	0	0	0	109.5	D207 S211 G212	D207-V209 VanDerWaalsContact C-N 3.35Å; D207-V209 PolarHBondContact O-N 3.24Å; D207-V209 WeakPolarHBondContact OD1-CB 3.39Å; D207-V209 PolarHBondContact OD1-N 3.04Å; V209-S211 VanDerWaalsContact C-N 3.28Å; V209-S211 PolarHBondContact O-N 2.88Å; V209-G212 PolarHBondContact O-N 3.11Å
210	Q	68.6	Low	86.7	Confident	165 Å²	165	50.8 Å²	50.8	77%	0.771	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-30.1	177.8	-59.5	178.2	-8.8	0	0	112.5	D207 G212	D207-Q210 HydrophobicContact CB-CB 3.98Å; D207-Q210 HydrophobicContact CB-CG 3.89Å; D207-Q210 PolarHBondContact O-N 3.48Å; D207-Q210 PolarHBondContact OD1-N 3.37Å; D207-Q210 VanDerWaalsContact OD1-N 3.16Å; Q210-G212 VanDerWaalsContact C-N 3.34Å
211	S	62.7	Low	86.9	Confident	33 Å²	33	50.7 Å²	50.7	23%	0.231	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	6.3	179.1	63.1	0	0	0	0	114.7	D207 R208 V209 S213 R278	D207-S211 VanDerWaalsContact O-CB 3.24Å; D207-S211 WeakPolarHBondContact O-CB 3.49Å; D207-S211 PolarHBondContact O-N 2.97Å; D207-S211 PolarHBondContact O-OG 3.49Å; R208-S211 WeakPolarHBondContact CA-OG 3.36Å; R208-S211 CarbonylContact O-C 3.59Å; R208-S211 PolarHBondContact O-N 2.91Å; R208-S211 PolarHBondContact O-OG 3.04Å; R208-S211 VanDerWaalsContact O-OG 3.05Å; V209-S211 VanDerWaalsContact C-N 3.28Å; V209-S211 PolarHBondContact O-N 2.88Å; S211-S213 PolarHBondContact O-N 3.17Å; S211-S213 VanDerWaalsContact O-N 3.11Å; S211-S213 PolarHBondContact OG-OG 3.05Å; S211-R278 PolarHBondContact O-NH2 3.47Å
212	G	71	Confident	87.1	Confident	16 Å²	16	46 Å²	46	17%	0.165	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	16.4	178.2	0	0	0	0	0	115	R208 V209 Q210 Y274 G275	R208-G212 PolarHBondContact O-N 3.02Å; R208-G212 VanDerWaalsContact O-N 3.17Å; V209-G212 PolarHBondContact O-N 3.11Å; Q210-G212 VanDerWaalsContact C-N 3.34Å; G212-Y274 CarbonylContact O-C 3.59Å; G212-Y274 WeakPolarHBondContact O-CA 3.45Å; G212-G275 PolarHBondContact O-N 3.39Å
213	S	76.1	Confident	87.2	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.007	21%	0.209	C	C	.	.			trans	-100.9	165.6	-171.6	63.6	0	0	0	0	113.4	R208 S211 G276	R208-S213 WeakPolarHBondContact CD-O 3.26Å; R208-S213 WeakPolarHBondContact CG-O 3.45Å; R208-S213 PolarHBondContact NH1-O 3.29Å; R208-S213 PolarHBondContact O-N 3.11Å; R208-S213 VanDerWaalsContact O-N 3.11Å; S211-S213 PolarHBondContact O-N 3.17Å; S211-S213 VanDerWaalsContact O-N 3.11Å; S211-S213 PolarHBondContact OG-OG 3.05Å; S213-G276 WeakPolarHBondContact CA-O 3.35Å
214	Y	81.9	Confident	87.4	Confident	93 Å²	93	35.6 Å²	35.6	37%	0.365	20%	0.2	S	C	.	.	B	Isolated β-bridge	trans	-120.5	142	169	-79.4	-95.4	0	0	0	110.1	G276 H277	Y214-G276 PolarHBondContact N-O 3.18Å; Y214-H277 WeakPolarHBondContact O-CA 3.3Å; Y214-H277 PolarHBondContact O-ND1 3.45Å
215	L	92	Very high	87.6	Confident	3 Å²	3	34 Å²	34	2%	0.016	19%	0.19	C	C	.	.			trans	-67.3	142.1	170.1	-62	169.1	0	0	0	109.2	W155 C196 D197 F200 W219 F220 H277 E282	W155-L215 WeakPolarHBondContact CH2-O 3.06Å; C196-L215 HydrophobicContact CB-CD1 4.15Å; D197-L215 WeakPolarHBondContact OD1-CD1 3.48Å; F200-L215 HydrophobicContact CB-CD2 3.67Å; F200-L215 HydrophobicContact CD1-CD2 4.2Å; F200-L215 HydrophobicContact CD2-CD2 3.31Å; F200-L215 HydrophobicContact CE2-CD2 3.93Å; F200-L215 HydrophobicContact CG-CD2 3.46Å; F200-L215 VanDerWaalsContact CG-CD2 3.46Å; L215-W219 HydrophobicContact CB-CB 4.11Å; L215-W219 HydrophobicContact CB-CG 4.13Å; L215-W219 HydrophobicContact CD1-CG 4.32Å; L215-W219 HydrophobicContact CD2-CD2 4.11Å; L215-W219 HydrophobicContact CD2-CG 3.99Å; L215-W219 HydrophobicContact CG-CG 4.33Å; L215-F220 HydrophobicContact CB-CD2 4.38Å; L215-F220 HydrophobicContact CB-CE2 3.6Å; L215-F220 HydrophobicContact CB-CZ 3.99Å; L215-F220 HydrophobicContact CD1-CE2 4.42Å; L215-F220 HydrophobicContact CD1-CZ 3.97Å; L215-H277 PolarHBondContact O-CE1 3.36Å; L215-H277 PolarHBondContact O-ND1 2.83Å; L215-E282 WeakPolarHBondContact CA-OE1 3.11Å
216	S	95.7	Very high	87.9	Confident	9 Å²	9	32.7 Å²	32.7	6%	0.063	17%	0.166	C	C	.	.			trans	-71.9	162.6	175.8	81.4	0	0	0	0	111.6	G218 W219 F220 E282	S216-G218 PolarHBondContact O-N 2.77Å; S216-G218 WeakPolarHBondContact OG-CA 3.12Å; S216-G218 PolarHBondContact OG-N 2.79Å; S216-G218 VanDerWaalsContact OG-N 3.09Å; S216-W219 WeakPolarHBondContact O-CB 3.41Å; S216-W219 PolarHBondContact O-N 2.92Å; S216-W219 VanDerWaalsContact O-N 3.11Å; S216-W219 PolarHBondContact OG-N 3.23Å; S216-W219 VanDerWaalsContact OG-N 3.14Å; S216-F220 VanDerWaalsContact O-CD2 3.23Å; S216-F220 WeakPolarHBondContact O-CD2 3.12Å; S216-F220 PolarHBondContact O-N 3.46Å; S216-E282 WeakPolarHBondContact CB-OE2 3.46Å; S216-E282 PolarHBondContact N-OE1 3.31Å; S216-E282 PolarHBondContact OG-OE2 3.11Å
217	T	97.9	Very high	88.5	Confident	12 Å²	12	30.2 Å²	30.2	7%	0.074	16%	0.158	C	C	.	.	H	α-helix	trans	-60.5	-30.1	169	-57.3	0	0	0	0	111.4	M107 N108 V127 W155 W219 F220 T221	M107-T217 HydrophobicContact CB-CG2 3.87Å; M107-T217 HydrophobicContact CG-CG2 3.8Å; M107-T217 HydrophobicContact SD-CG2 4.13Å; N108-T217 PolarHBondContact ND2-OG1 2.84Å; N108-T217 PolarHBondContact OD1-OG1 2.77Å; V127-T217 HydrophobicContact CB-CG2 4.17Å; V127-T217 HydrophobicContact CG1-CG2 3.95Å; V127-T217 WeakPolarHBondContact O-CG2 3.21Å; W155-T217 WeakPolarHBondContact CZ2-OG1 2.95Å; W155-T217 PolarHBondContact NE1-OG1 3.16Å; T217-W219 VanDerWaalsContact C-N 3.33Å; T217-W219 PolarHBondContact O-N 2.79Å; T217-F220 PolarHBondContact O-N 2.87Å; T217-T221 WeakPolarHBondContact O-CB 3.32Å; T217-T221 PolarHBondContact O-N 3.03Å; T217-T221 PolarHBondContact O-OG1 2.98Å
218	G	97.9	Very high	89.1	Confident	8 Å²	8	28.4 Å²	28.4	8%	0.082	15%	0.149	C	C	.	.	H	α-helix	trans	-59.2	-43	173.5	0	0	0	0	0	112	S216 F220 T221 F222	S216-G218 PolarHBondContact O-N 2.77Å; S216-G218 WeakPolarHBondContact OG-CA 3.12Å; S216-G218 PolarHBondContact OG-N 2.79Å; S216-G218 VanDerWaalsContact OG-N 3.09Å; G218-F220 PolarHBondContact O-N 3.07Å; G218-T221 WeakPolarHBondContact O-CB 3.28Å; G218-T221 PolarHBondContact O-N 3.28Å; G218-F222 WeakPolarHBondContact O-CD2 3.4Å; G218-F222 PolarHBondContact O-N 3.2Å
219	W	97.7	Very high	90	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-58.4	-50.7	177.2	-173.4	-91.5	0	0	0	112.9	C196 V199 F200 E203 L215 S216 T217 T221 F222 I223 E282 V285 F286 W289	C196-W219 PolarHBondContact O-NE1 2.84Å; V199-W219 HydrophobicContact CB-CZ2 4.21Å; V199-W219 HydrophobicContact CG1-CH2 4.43Å; V199-W219 HydrophobicContact CG1-CZ2 3.8Å; F200-W219 HydrophobicContact CB-CH2 4.14Å; F200-W219 HydrophobicContact CB-CZ2 3.59Å; F200-W219 HydrophobicContact CD2-CD2 4.38Å; F200-W219 HydrophobicContact CD2-CE3 4.24Å; F200-W219 AromaticContact CD2-CH2 3.82Å; F200-W219 HydrophobicContact CD2-CH2 3.82Å; F200-W219 AromaticContact CD2-CZ2 3.98Å; F200-W219 HydrophobicContact CD2-CZ2 3.98Å; F200-W219 AromaticContact CD2-CZ3 3.96Å; F200-W219 HydrophobicContact CD2-CZ3 3.96Å; F200-W219 HydrophobicContact CG-CH2 4.44Å; F200-W219 HydrophobicContact CG-CZ2 4.29Å; E203-W219 HydrophobicContact CB-CH2 4.43Å; E203-W219 HydrophobicContact CG-CH2 4.48Å; L215-W219 HydrophobicContact CB-CB 4.11Å; L215-W219 HydrophobicContact CB-CG 4.13Å; L215-W219 HydrophobicContact CD1-CG 4.32Å; L215-W219 HydrophobicContact CD2-CD2 4.11Å; L215-W219 HydrophobicContact CD2-CG 3.99Å; L215-W219 HydrophobicContact CG-CG 4.33Å; S216-W219 WeakPolarHBondContact O-CB 3.41Å; S216-W219 PolarHBondContact O-N 2.92Å; S216-W219 VanDerWaalsContact O-N 3.11Å; S216-W219 PolarHBondContact OG-N 3.23Å; S216-W219 VanDerWaalsContact OG-N 3.14Å; T217-W219 VanDerWaalsContact C-N 3.33Å; T217-W219 PolarHBondContact O-N 2.79Å; W219-T221 VanDerWaalsContact C-N 3.29Å; W219-T221 PolarHBondContact O-N 3.37Å; W219-F222 PolarHBondContact O-N 2.71Å; W219-I223 HydrophobicContact CZ2-CD1 4.37Å; W219-I223 PolarHBondContact O-N 2.86Å; W219-I223 VanDerWaalsContact O-N 3.09Å; W219-E282 HydrophobicContact CE3-CB 4.09Å; W219-E282 HydrophobicContact CE3-CG 3.69Å; W219-E282 HydrophobicContact CZ3-CB 4.47Å; W219-E282 HydrophobicContact CZ3-CG 4.23Å; W219-V285 HydrophobicContact CH2-CB 4.27Å; W219-V285 HydrophobicContact CH2-CG1 3.79Å; W219-V285 HydrophobicContact CH2-CG2 4.4Å; W219-V285 HydrophobicContact CZ3-CB 3.87Å; W219-V285 HydrophobicContact CZ3-CG1 3.79Å; W219-V285 HydrophobicContact CZ3-CG2 4.21Å; W219-F286 HydrophobicContact CB-CZ 4.46Å; W219-F286 HydrophobicContact CD2-CE1 4.4Å; W219-F286 HydrophobicContact CE3-CD1 4.48Å; W219-F286 AromaticContact CE3-CE1 3.51Å; W219-F286 HydrophobicContact CE3-CE1 3.51Å; W219-F286 HydrophobicContact CE3-CZ 4Å; W219-F286 AromaticContact CZ3-CE1 3.99Å; W219-F286 HydrophobicContact CZ3-CE1 3.99Å; W219-W289 HydrophobicContact CD2-CH2 4.25Å; W219-W289 HydrophobicContact CE3-CH2 4.08Å; W219-W289 AromaticContact CH2-CH2 3.6Å; W219-W289 HydrophobicContact CH2-CH2 3.6Å; W219-W289 AromaticContact CH2-CZ2 3.68Å; W219-W289 HydrophobicContact CH2-CZ2 3.68Å; W219-W289 AromaticContact CZ2-CH2 3.76Å; W219-W289 HydrophobicContact CZ2-CH2 3.76Å; W219-W289 AromaticContact CZ2-CZ2 4Å; W219-W289 HydrophobicContact CZ2-CZ2 4Å; W219-W289 AromaticContact CZ3-CH2 3.77Å; W219-W289 HydrophobicContact CZ3-CH2 3.77Å; W219-W289 HydrophobicContact CZ3-CZ2 4.17Å; W219-W289 HydrophobicContact CZ3-CZ3 4.44Å
220	F	98.4	Very high	91.1	Very high	9 Å²	9	27.8 Å²	27.8	4%	0.039	14%	0.138	C	C	.	.	H	α-helix	trans	-63.4	-36.7	177	-66.8	-78.8	0	0	0	112.1	V127 W155 M193 C196 L215 S216 T217 G218 L224	V127-F220 HydrophobicContact CG1-CB 4.31Å; W155-F220 HydrophobicContact CB-CD1 4.26Å; W155-F220 HydrophobicContact CB-CD2 4.47Å; W155-F220 HydrophobicContact CB-CG 4.25Å; W155-F220 AromaticContact CD1-CD2 3.95Å; W155-F220 AromaticContact CD2-CD2 3.36Å; W155-F220 HydrophobicContact CD2-CD2 3.36Å; W155-F220 AromaticContact CD2-CE2 3.36Å; W155-F220 HydrophobicContact CD2-CE2 3.36Å; W155-F220 HydrophobicContact CD2-CG 4.02Å; W155-F220 AromaticContact CD2-CZ 3.99Å; W155-F220 HydrophobicContact CD2-CZ 3.99Å; W155-F220 AromaticContact CE2-CD2 3.43Å; W155-F220 VanDerWaalsContact CE2-CD2 3.43Å; W155-F220 AromaticContact CE2-CE2 3.68Å; W155-F220 AromaticContact CE3-CD2 3.77Å; W155-F220 HydrophobicContact CE3-CD2 3.77Å; W155-F220 HydrophobicContact CE3-CE1 4.39Å; W155-F220 AromaticContact CE3-CE2 3.2Å; W155-F220 HydrophobicContact CE3-CE2 3.2Å; W155-F220 AromaticContact CE3-CZ 3.57Å; W155-F220 HydrophobicContact CE3-CZ 3.57Å; W155-F220 HydrophobicContact CG-CB 4.34Å; W155-F220 HydrophobicContact CG-CD1 4.32Å; W155-F220 AromaticContact CG-CD2 3.7Å; W155-F220 HydrophobicContact CG-CD2 3.7Å; W155-F220 HydrophobicContact CG-CE2 4.07Å; W155-F220 AromaticContact CG-CG 3.86Å; W155-F220 HydrophobicContact CG-CG 3.86Å; W155-F220 HydrophobicContact CH2-CD2 4.22Å; W155-F220 AromaticContact CH2-CE2 3.7Å; W155-F220 HydrophobicContact CH2-CE2 3.7Å; W155-F220 AromaticContact CZ2-CD2 3.88Å; W155-F220 HydrophobicContact CZ2-CD2 3.88Å; W155-F220 AromaticContact CZ2-CE2 3.85Å; W155-F220 HydrophobicContact CZ2-CE2 3.85Å; W155-F220 HydrophobicContact CZ3-CD2 4.18Å; W155-F220 AromaticContact CZ3-CE2 3.38Å; W155-F220 HydrophobicContact CZ3-CE2 3.38Å; W155-F220 AromaticContact CZ3-CZ 3.95Å; W155-F220 HydrophobicContact CZ3-CZ 3.95Å; W155-F220 AromaticContact NE1-CD2 3.8Å; M193-F220 HydrophobicContact CE-CE1 3.8Å; M193-F220 HydrophobicContact CE-CZ 3.63Å; M193-F220 HydrophobicContact SD-CD1 4.37Å; M193-F220 HydrophobicContact SD-CE1 3.56Å; M193-F220 VanDerWaalsContact SD-CE1 3.56Å; M193-F220 HydrophobicContact SD-CZ 4.01Å; C196-F220 HydrophobicContact CB-CD1 4.08Å; C196-F220 HydrophobicContact CB-CE1 3.68Å; L215-F220 HydrophobicContact CB-CD2 4.38Å; L215-F220 HydrophobicContact CB-CE2 3.6Å; L215-F220 HydrophobicContact CB-CZ 3.99Å; L215-F220 HydrophobicContact CD1-CE2 4.42Å; L215-F220 HydrophobicContact CD1-CZ 3.97Å; S216-F220 VanDerWaalsContact O-CD2 3.23Å; S216-F220 WeakPolarHBondContact O-CD2 3.12Å; S216-F220 PolarHBondContact O-N 3.46Å; T217-F220 PolarHBondContact O-N 2.87Å; G218-F220 PolarHBondContact O-N 3.07Å; F220-L224 PolarHBondContact O-N 2.8Å; F220-L224 VanDerWaalsContact O-N 3.12Å
221	T	98.7	Very high	92.4	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-63.4	-48	177.5	-56.8	0	0	0	0	111.1	I82 W105 V127 T217 G218 W219 L224 A225	I82-T221 HydrophobicContact CD1-CG2 4.17Å; I82-T221 HydrophobicContact CG1-CG2 4.5Å; I82-T221 HydrophobicContact CG2-CG2 4.17Å; W105-T221 HydrophobicContact CE3-CG2 4.17Å; V127-T221 WeakPolarHBondContact CB-OG1 3.49Å; V127-T221 HydrophobicContact CG2-CG2 4.14Å; T217-T221 WeakPolarHBondContact O-CB 3.32Å; T217-T221 PolarHBondContact O-N 3.03Å; T217-T221 PolarHBondContact O-OG1 2.98Å; G218-T221 WeakPolarHBondContact O-CB 3.28Å; G218-T221 PolarHBondContact O-N 3.28Å; W219-T221 VanDerWaalsContact C-N 3.29Å; W219-T221 PolarHBondContact O-N 3.37Å; T221-L224 PolarHBondContact O-N 3.41Å; T221-A225 VanDerWaalsContact O-CB 3.25Å; T221-A225 WeakPolarHBondContact O-CB 2.98Å; T221-A225 PolarHBondContact O-N 2.91Å
222	F	98.4	Very high	94.1	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-64.4	-43.3	179.3	-90.7	-110.8	0	0	0	112.3	I82 G218 W219 L224 A225 M226 V234 M237 F286 W289 I295 F297	I82-F222 HydrophobicContact CD1-CD2 4.33Å; I82-F222 HydrophobicContact CD1-CE2 4.21Å; G218-F222 WeakPolarHBondContact O-CD2 3.4Å; G218-F222 PolarHBondContact O-N 3.2Å; W219-F222 PolarHBondContact O-N 2.71Å; F222-L224 VanDerWaalsContact C-N 3.29Å; F222-L224 PolarHBondContact O-N 2.85Å; F222-A225 PolarHBondContact O-N 3.07Å; F222-M226 WeakPolarHBondContact O-CB 3.12Å; F222-M226 VanDerWaalsContact O-CG 3.28Å; F222-M226 WeakPolarHBondContact O-CG 2.99Å; F222-M226 PolarHBondContact O-N 3.33Å; F222-V234 HydrophobicContact CE1-CG2 4.24Å; F222-V234 HydrophobicContact CE2-CG2 4.44Å; F222-V234 HydrophobicContact CZ-CG1 4.18Å; F222-V234 HydrophobicContact CZ-CG2 3.64Å; F222-M237 HydrophobicContact CE2-CE 3.84Å; F222-M237 HydrophobicContact CZ-CE 4.34Å; F222-F286 HydrophobicContact CB-CE1 4.28Å; F222-F286 HydrophobicContact CD1-CD1 4.21Å; F222-F286 HydrophobicContact CD1-CG 4.41Å; F222-F286 HydrophobicContact CD2-CZ 4.41Å; F222-F286 HydrophobicContact CE1-CB 4.4Å; F222-F286 HydrophobicContact CE1-CG 4.33Å; F222-F286 HydrophobicContact CG-CD1 4.31Å; F222-F286 HydrophobicContact CG-CE1 4.23Å; F222-F286 HydrophobicContact CZ-CD2 4.45Å; F222-W289 HydrophobicContact CB-CE3 4.23Å; F222-W289 HydrophobicContact CB-CZ3 3.77Å; F222-W289 HydrophobicContact CD1-CE3 4.2Å; F222-I295 HydrophobicContact CD1-CD1 4.27Å; F222-I295 HydrophobicContact CE1-CD1 4.24Å; F222-I295 HydrophobicContact CE1-CG2 4.05Å; F222-F297 HydrophobicContact CE1-CE1 4.23Å; F222-F297 AromaticContact CE1-CZ 3.66Å; F222-F297 HydrophobicContact CE1-CZ 3.66Å; F222-F297 AromaticContact CZ-CE1 3.67Å; F222-F297 HydrophobicContact CZ-CE1 3.67Å; F222-F297 AromaticContact CZ-CZ 3.6Å; F222-F297 HydrophobicContact CZ-CZ 3.6Å
223	I	98.1	Very high	95.5	Very high	5 Å²	5	20.4 Å²	20.4	3%	0.026	10%	0.097	C	C	.	.	H	α-helix	trans	-59.8	-40.3	178	-79.1	-179.4	0	0	0	111.4	R192 Y195 C196 V199 W219 M226 W289	R192-I223 PolarHBondContact NH2-O 3.34Å; Y195-I223 HydrophobicContact CE1-CG2 4.2Å; C196-I223 HydrophobicContact CB-CD1 3.92Å; V199-I223 HydrophobicContact CB-CD1 4.22Å; V199-I223 HydrophobicContact CG1-CD1 4.31Å; V199-I223 HydrophobicContact CG2-CD1 4.46Å; W219-I223 HydrophobicContact CZ2-CD1 4.37Å; W219-I223 PolarHBondContact O-N 2.86Å; W219-I223 VanDerWaalsContact O-N 3.09Å; I223-M226 HydrophobicContact CG1-CE 4.42Å; I223-W289 HydrophobicContact CG1-CH2 4Å; I223-W289 HydrophobicContact CG1-CZ3 4.49Å
224	L	98.4	Very high	96.5	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.01	10%	0.097	C	C	.	.	H	α-helix	trans	-74.1	-43.2	175.5	-179.8	47.8	0	0	0	112.2	Y64 L73 W105 V153 F220 T221 F222 M226 D227 A228	Y64-L224 HydrophobicContact CD2-CD1 4.09Å; Y64-L224 HydrophobicContact CE1-CD2 4.11Å; Y64-L224 HydrophobicContact CE2-CD1 3.43Å; Y64-L224 VanDerWaalsContact CE2-CD1 3.43Å; Y64-L224 HydrophobicContact CE2-CD2 4.25Å; Y64-L224 HydrophobicContact CE2-CG 4.27Å; L73-L224 HydrophobicContact CD2-CD1 4.4Å; L73-L224 HydrophobicContact CD2-CD2 4.26Å; W105-L224 HydrophobicContact CH2-CB 4.47Å; W105-L224 HydrophobicContact CH2-CD2 4.16Å; W105-L224 HydrophobicContact CH2-CG 3.72Å; W105-L224 HydrophobicContact CZ3-CB 4.2Å; W105-L224 HydrophobicContact CZ3-CD2 3.85Å; W105-L224 HydrophobicContact CZ3-CG 3.72Å; V153-L224 HydrophobicContact CB-CD2 4.41Å; V153-L224 HydrophobicContact CG1-CD2 4.07Å; V153-L224 HydrophobicContact CG2-CD2 4.05Å; F220-L224 PolarHBondContact O-N 2.8Å; F220-L224 VanDerWaalsContact O-N 3.12Å; T221-L224 PolarHBondContact O-N 3.41Å; F222-L224 VanDerWaalsContact C-N 3.29Å; F222-L224 PolarHBondContact O-N 2.85Å; L224-M226 VanDerWaalsContact C-N 3.33Å; L224-M226 PolarHBondContact O-N 3.31Å; L224-D227 PolarHBondContact O-N 2.03Å; L224-D227 VanDerWaalsContact O-N 3.13Å; L224-A228 WeakPolarHBondContact O-CB 3.44Å; L224-A228 PolarHBondContact O-N 2.78Å; L224-A228 VanDerWaalsContact O-N 3.08Å
225	A	98	Very high	97.3	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-62.3	-38.8	179.6	0	0	0	0	0	112.1	I82 W105 T221 F222 D227 A228 C229 I232	I82-A225 HydrophobicContact CD1-CB 3.8Å; W105-A225 HydrophobicContact CH2-CB 4.44Å; W105-A225 HydrophobicContact CZ2-CB 4.47Å; W105-A225 HydrophobicContact CZ3-CB 4.49Å; T221-A225 VanDerWaalsContact O-CB 3.25Å; T221-A225 WeakPolarHBondContact O-CB 2.98Å; T221-A225 PolarHBondContact O-N 2.91Å; F222-A225 PolarHBondContact O-N 3.07Å; A225-D227 VanDerWaalsContact C-N 3.26Å; A225-D227 PolarHBondContact O-N 2.85Å; A225-A228 PolarHBondContact O-N 3.16Å; A225-C229 WeakPolarHBondContact O-CA 3.42Å; A225-C229 WeakPolarHBondContact O-CB 3.23Å; A225-C229 PolarHBondContact O-N 3.45Å; A225-C229 PolarHBondContact O-SG 2.99Å; A225-I232 HydrophobicContact CB-CD1 3.81Å; A225-I232 HydrophobicContact CB-CG1 4.47Å
226	M	97.3	Very high	97.6	Very high	38 Å²	38	15.9 Å²	15.9	19%	0.187	8%	0.079	C	C	.	.	H	α-helix	trans	-64.8	-28.1	175.9	-72.4	-173.8	-62.3	0	0	113.2	F222 I223 L224 I232 W289 I295	F222-M226 WeakPolarHBondContact O-CB 3.12Å; F222-M226 VanDerWaalsContact O-CG 3.28Å; F222-M226 WeakPolarHBondContact O-CG 2.99Å; F222-M226 PolarHBondContact O-N 3.33Å; I223-M226 HydrophobicContact CG1-CE 4.42Å; L224-M226 VanDerWaalsContact C-N 3.33Å; L224-M226 PolarHBondContact O-N 3.31Å; M226-I232 HydrophobicContact CG-CD1 4.04Å; M226-W289 HydrophobicContact CE-CD2 3.76Å; M226-W289 HydrophobicContact CE-CE3 3.41Å; M226-W289 VanDerWaalsContact CE-CE3 3.41Å; M226-W289 HydrophobicContact CE-CH2 3.92Å; M226-W289 HydrophobicContact CE-CZ2 4.22Å; M226-W289 HydrophobicContact CE-CZ3 3.5Å; M226-W289 HydrophobicContact SD-CB 4.29Å; M226-W289 HydrophobicContact SD-CD2 4.01Å; M226-W289 HydrophobicContact SD-CE3 3.87Å; M226-W289 HydrophobicContact SD-CG 4.23Å; M226-I295 HydrophobicContact CG-CD1 4.38Å; M226-I295 HydrophobicContact SD-CD1 4.25Å
227	D	95.6	Very high	97.7	Very high	59 Å²	59	16 Å²	16	32%	0.316	8%	0.079	S	C	.	.	H	α-helix	trans	-79.4	-31.3	175.4	-72.2	-6.1	0	0	0	111.9	R59 R192 L224 A225	R59-D227 PolarHBondContact NH1-O 3.3Å; R192-D227 IonicContact CZ-OD2 3.3Å; R192-D227 VanDerWaalsContact CZ-OD2 3.28Å; R192-D227 IonicContact NH1-OD2 3.62Å; R192-D227 PolarHBondContact NH1-OD2 3.47Å; R192-D227 IonicContact NH2-OD2 2.66Å; R192-D227 PolarHBondContact NH2-OD2 3.41Å; L224-D227 PolarHBondContact O-N 2.03Å; L224-D227 VanDerWaalsContact O-N 3.13Å; A225-D227 VanDerWaalsContact C-N 3.26Å; A225-D227 PolarHBondContact O-N 2.85Å
228	A	96.3	Very high	97.7	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-101.3	-23.8	-169.6	0	0	0	0	0	115	L75 C77 W105 L224 A225	L75-A228 HydrophobicContact CB-CB 4.48Å; L75-A228 HydrophobicContact CD2-CB 3.7Å; L75-A228 HydrophobicContact CG-CB 3.96Å; C77-A228 PolarHBondContact N-O 3.17Å; W105-A228 HydrophobicContact CH2-CB 4.23Å; W105-A228 HydrophobicContact CZ2-CB 4.17Å; L224-A228 WeakPolarHBondContact O-CB 3.44Å; L224-A228 PolarHBondContact O-N 2.78Å; L224-A228 VanDerWaalsContact O-N 3.08Å; A225-A228 PolarHBondContact O-N 3.16Å
229	C	96.5	Very high	97.7	Very high	13 Å²	13	16.3 Å²	16.3	9%	0.088	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	142.4	-169.4	-53.8	0	0	0	0	111.9	C77 C80 A225 I232	C77-C229 HydrophobicContact CB-CB 4.49Å; C77-C229 CarbonylContact O-C 3.53Å; C77-C229 WeakPolarHBondContact O-CA 3.32Å; C80-C229 HydrophobicContact CB-CB 3.75Å; C80-C229 WeakPolarHBondContact CB-SG 3.49Å; C80-C229 WeakPolarHBondContact SG-CB 3.34Å; C80-C229 CovalentContact SG-SG 2.02Å; C80-C229 PolarHBondContact SG-SG 3.49Å; A225-C229 WeakPolarHBondContact O-CA 3.42Å; A225-C229 WeakPolarHBondContact O-CB 3.23Å; A225-C229 PolarHBondContact O-N 3.45Å; A225-C229 PolarHBondContact O-SG 2.99Å; C229-I232 HydrophobicContact CB-CD1 4.31Å; C229-I232 HydrophobicContact CB-CG1 3.75Å
230	Y	95.1	Very high	97.5	Very high	117 Å²	117	18 Å²	18	46%	0.459	9%	0.087	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	-39.8	170.2	179.3	-109.7	0	0	0	112.4	C77 D78 R294	C77-Y230 PolarHBondContact O-N 3.17Å; D78-Y230 WeakPolarHBondContact O-CA 3.49Å; D78-Y230 WeakPolarHBondContact O-CB 3.37Å; D78-Y230 PolarHBondContact O-N 2.97Å; D78-Y230 WeakPolarHBondContact OD1-CD1 3.25Å; Y230-R294 PolarHBondContact OH-NH1 3.03Å
231	G	97.4	Very high	97.4	Very high	7 Å²	7	20.8 Å²	20.8	7%	0.072	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	147.5	172.6	0	0	0	0	0	111.6	D78 C80	D78-G231 PolarHBondContact O-N 2.79Å; C80-G231 PolarHBondContact N-O 3.32Å
232	I	98.6	Very high	97.3	Very high	5 Å²	5	22.5 Å²	22.5	3%	0.026	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	120.5	-176.6	-58	171.6	0	0	0	108.9	C80 I82 A225 M226 C229 V234 R294 I295 I296	C80-I232 HydrophobicContact CB-CG1 4.47Å; C80-I232 CarbonylContact O-C 3.58Å; C80-I232 WeakPolarHBondContact O-CA 3.48Å; I82-I232 HydrophobicContact CD1-CG2 3.47Å; I82-I232 VanDerWaalsContact CD1-CG2 3.47Å; I82-I232 HydrophobicContact CG1-CG2 3.95Å; A225-I232 HydrophobicContact CB-CD1 3.81Å; A225-I232 HydrophobicContact CB-CG1 4.47Å; M226-I232 HydrophobicContact CG-CD1 4.04Å; C229-I232 HydrophobicContact CB-CD1 4.31Å; C229-I232 HydrophobicContact CB-CG1 3.75Å; I232-V234 HydrophobicContact CG2-CG2 3.83Å; I232-R294 PolarHBondContact N-O 3.32Å; I232-I295 HydrophobicContact CB-CG1 4.2Å; I232-I295 HydrophobicContact CB-CG2 4.4Å; I232-I295 HydrophobicContact CD1-CG1 4.2Å; I232-I295 HydrophobicContact CG2-CG2 4.33Å; I232-I295 CarbonylContact O-C 3.59Å; I232-I295 VanDerWaalsContact O-CA 3.28Å; I232-I295 WeakPolarHBondContact O-CA 3.29Å; I232-I296 PolarHBondContact O-N 3.24Å
233	H	98.5	Very high	97.1	Very high	47 Å²	47	23.1 Å²	23.1	22%	0.218	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	126.2	169.6	-75.1	-158.2	0	0	0	108.6	C80 A81 I82 Y235 I296	C80-H233 PolarHBondContact O-N 3.12Å; A81-H233 CarbonylContact C-O 3.59Å; A81-H233 WeakPolarHBondContact CA-O 3.28Å; I82-H233 PolarHBondContact N-O 3.29Å; H233-Y235 HydrophobicContact CB-CE2 3.77Å; H233-I296 CarbonylContact C-O 3.57Å; H233-I296 WeakPolarHBondContact CA-O 3.48Å
234	V	98.8	Very high	96.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	122.3	-174.8	-171	0	0	0	0	108.4	I82 F222 I232 M237 I295 I296 F297 T298	I82-V234 HydrophobicContact CB-CG1 4.46Å; I82-V234 HydrophobicContact CB-CG2 4.44Å; I82-V234 HydrophobicContact CG2-CG1 4.47Å; I82-V234 WeakPolarHBondContact O-CA 3.33Å; F222-V234 HydrophobicContact CE1-CG2 4.24Å; F222-V234 HydrophobicContact CE2-CG2 4.44Å; F222-V234 HydrophobicContact CZ-CG1 4.18Å; F222-V234 HydrophobicContact CZ-CG2 3.64Å; I232-V234 HydrophobicContact CG2-CG2 3.83Å; V234-M237 HydrophobicContact CG1-CB 3.96Å; V234-M237 HydrophobicContact CG1-CE 4.13Å; V234-I295 HydrophobicContact CG2-CG2 3.88Å; V234-I296 PolarHBondContact N-O 3.44Å; V234-F297 HydrophobicContact CB-CD1 3.55Å; V234-F297 HydrophobicContact CB-CE1 3.79Å; V234-F297 HydrophobicContact CB-CG 4.23Å; V234-F297 HydrophobicContact CG1-CD1 3.7Å; V234-F297 HydrophobicContact CG1-CE1 3.71Å; V234-F297 HydrophobicContact CG2-CD1 4.02Å; V234-F297 HydrophobicContact CG2-CE1 3.84Å; V234-F297 HydrophobicContact CG2-CZ 4.23Å; V234-T298 PolarHBondContact O-N 3.4Å
235	Y	98.8	Very high	96.7	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.008	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	138.1	-178.4	-60.2	-99.6	0	0	0	109.8	A81 I82 S84 V94 E97 I98 H233 M237 T298 H299	A81-Y235 HydrophobicContact CB-CD2 4.33Å; A81-Y235 HydrophobicContact CB-CE2 3.81Å; I82-Y235 PolarHBondContact O-N 2.97Å; S84-Y235 WeakPolarHBondContact CB-O 3.4Å; S84-Y235 PolarHBondContact N-O 2.89Å; V94-Y235 HydrophobicContact CG2-CD1 4.14Å; E97-Y235 PolarHBondContact OE1-OH 3.42Å; E97-Y235 VanDerWaalsContact OE1-OH 3.11Å; I98-Y235 HydrophobicContact CD1-CD1 4.31Å; I98-Y235 HydrophobicContact CD1-CG 4.22Å; I98-Y235 HydrophobicContact CG1-CD1 4.09Å; I98-Y235 HydrophobicContact CG1-CD2 4.04Å; I98-Y235 HydrophobicContact CG1-CE1 4.04Å; I98-Y235 HydrophobicContact CG1-CE2 3.99Å; I98-Y235 HydrophobicContact CG1-CG 4.1Å; H233-Y235 HydrophobicContact CB-CE2 3.77Å; Y235-M237 PolarHBondContact O-N 3.12Å; Y235-T298 WeakPolarHBondContact CA-O 3.39Å; Y235-T298 HydrophobicContact CD1-CG2 3.59Å; Y235-T298 HydrophobicContact CE1-CG2 3.69Å; Y235-T298 HydrophobicContact CG-CG2 4.15Å; Y235-H299 AromaticContact CD1-ND1 3.79Å
236	G	98.1	Very high	96.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.209	C	C	.	.	S	Bend	trans	76.3	22.8	170.4	0	0	0	0	0	114.2	S84 S86 M89 T298 H299	S84-G236 VanDerWaalsContact CB-C 3.4Å; S84-G236 WeakPolarHBondContact CB-O 3.31Å; S84-G236 PolarHBondContact OG-O 2.84Å; S86-G236 WeakPolarHBondContact CB-O 3.17Å; M89-G236 WeakPolarHBondContact SD-CA 3.35Å; M89-G236 PolarHBondContact SD-N 3.26Å; G236-T298 PolarHBondContact N-O 2.92Å; G236-T298 VanDerWaalsContact N-O 3.16Å; G236-H299 WeakPolarHBondContact CA-O 3.18Å; G236-H299 PolarHBondContact N-O 2.96Å
237	M	98.3	Very high	96	Very high	12 Å²	12	44.6 Å²	44.6	6%	0.059	24%	0.241	C	C	.	.			trans	-112.2	123.8	176.3	-163.8	-179.9	-70.8	0	0	109.4	F222 V234 Y235 F286 F297 W302	F222-M237 HydrophobicContact CE2-CE 3.84Å; F222-M237 HydrophobicContact CZ-CE 4.34Å; V234-M237 HydrophobicContact CG1-CB 3.96Å; V234-M237 HydrophobicContact CG1-CE 4.13Å; Y235-M237 PolarHBondContact O-N 3.12Å; M237-F286 HydrophobicContact SD-CD2 3.89Å; M237-F286 HydrophobicContact SD-CE2 4.21Å; M237-F297 HydrophobicContact CB-CD1 4.22Å; M237-F297 HydrophobicContact CB-CE1 4.42Å; M237-F297 HydrophobicContact SD-CD1 4.47Å; M237-F297 HydrophobicContact SD-CE1 3.77Å; M237-W302 HydrophobicContact CB-CZ2 4.28Å; M237-W302 HydrophobicContact CG-CZ2 3.87Å; M237-W302 PolarHBondContact O-NE1 3.17Å; M237-W302 HydrophobicContact SD-CH2 4.22Å; M237-W302 HydrophobicContact SD-CZ2 3.98Å
238	I	97.5	Very high	95.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.236	C	C	.	.			trans	-80.3	153	171.5	65.4	172.4	0	0	0	111.2	Q88 Y242 C243 E262 Y266 K283 P300 W302	Q88-I238 HydrophobicContact CG-CG2 3.62Å; I238-Y242 HydrophobicContact CB-CD1 3.9Å; I238-Y242 HydrophobicContact CB-CD2 4.15Å; I238-Y242 HydrophobicContact CB-CG 3.68Å; I238-Y242 HydrophobicContact CD1-CD1 3.65Å; I238-Y242 HydrophobicContact CD1-CE1 4.43Å; I238-Y242 HydrophobicContact CD1-CG 4.14Å; I238-Y242 HydrophobicContact CG1-CD1 4.39Å; I238-Y242 HydrophobicContact CG1-CG 4.47Å; I238-Y242 HydrophobicContact CG2-CD1 3.74Å; I238-Y242 HydrophobicContact CG2-CD2 4.08Å; I238-Y242 HydrophobicContact CG2-CE1 3.88Å; I238-Y242 HydrophobicContact CG2-CE2 4.22Å; I238-Y242 HydrophobicContact CG2-CG 3.85Å; I238-C243 WeakPolarHBondContact CD1-SG 3.39Å; I238-E262 HydrophobicContact CD1-CG 4.15Å; I238-E262 WeakPolarHBondContact CG2-OE2 3.38Å; I238-Y266 HydrophobicContact CD1-CD2 3.9Å; I238-Y266 HydrophobicContact CD1-CE2 3.64Å; I238-Y266 HydrophobicContact CG1-CD2 4.35Å; I238-Y266 HydrophobicContact CG1-CE2 3.69Å; I238-K283 WeakPolarHBondContact O-CD 3.46Å; I238-K283 WeakPolarHBondContact O-CE 3.39Å; I238-P300 HydrophobicContact CG2-CG 3.97Å; I238-W302 WeakPolarHBondContact O-CZ2 3.49Å
239	N	96.8	Very high	95.8	Very high	26 Å²	26	50 Å²	50	14%	0.139	26%	0.257	C	S	.	.			trans	-79.9	178.7	176.7	69.5	18.7	0	0	0	112	T241 Y242 W302	N239-T241 VanDerWaalsContact C-N 3.27Å; N239-T241 PolarHBondContact O-N 2.69Å; N239-T241 PolarHBondContact OD1-N 2.81Å; N239-T241 PolarHBondContact OD1-OG1 3.01Å; N239-Y242 WeakPolarHBondContact OD1-CA 3.44Å; N239-Y242 WeakPolarHBondContact OD1-CB 3.47Å; N239-Y242 PolarHBondContact OD1-N 2.91Å; N239-W302 HydrophobicContact CB-CD2 3.56Å; N239-W302 HydrophobicContact CB-CE3 3.99Å; N239-W302 HydrophobicContact CB-CG 3.83Å; N239-W302 HydrophobicContact CB-CZ2 4.13Å; N239-W302 HydrophobicContact CB-CZ3 4.43Å
240	D	95.1	Very high	95.7	Very high	35 Å²	35	56.4 Å²	56.4	19%	0.187	28%	0.284	C	S	.	.	S	Bend	trans	-73	-15.5	-175.8	69.3	-66.9	0	0	0	114.5	I280 K283 K284	D240-I280 HydrophobicContact CB-CG2 3.91Å; D240-K283 HydrophobicContact CB-CB 4.01Å; D240-K284 HydrophobicContact CB-CG 3.59Å; D240-K284 VanDerWaalsContact CG-CG 3.4Å; D240-K284 WeakPolarHBondContact OD2-CE 3.24Å; D240-K284 WeakPolarHBondContact OD2-CG 3.27Å
241	T	95.3	Very high	95.8	Very high	68 Å²	68	51.2 Å²	51.2	42%	0.417	26%	0.264	S	S	.	.	S	Bend	trans	-102.5	-14.9	-179.6	56.3	0	0	0	0	113.5	N239 C243 K244 T245	N239-T241 VanDerWaalsContact C-N 3.27Å; N239-T241 PolarHBondContact O-N 2.69Å; N239-T241 PolarHBondContact OD1-N 2.81Å; N239-T241 PolarHBondContact OD1-OG1 3.01Å; T241-C243 PolarHBondContact O-N 2.91Å; T241-K244 WeakPolarHBondContact O-CA 3.39Å; T241-K244 WeakPolarHBondContact O-CB 3.3Å; T241-K244 PolarHBondContact O-N 2.74Å; T241-T245 PolarHBondContact O-N 2.95Å
242	Y	95.9	Very high	95.9	Very high	36 Å²	36	53.5 Å²	53.5	14%	0.141	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-52.2	-48.5	-175.5	-173.4	-87.1	0	0	0	112.9	I238 N239 K244 T245 Y248 R249 P300	I238-Y242 HydrophobicContact CB-CD1 3.9Å; I238-Y242 HydrophobicContact CB-CD2 4.15Å; I238-Y242 HydrophobicContact CB-CG 3.68Å; I238-Y242 HydrophobicContact CD1-CD1 3.65Å; I238-Y242 HydrophobicContact CD1-CE1 4.43Å; I238-Y242 HydrophobicContact CD1-CG 4.14Å; I238-Y242 HydrophobicContact CG1-CD1 4.39Å; I238-Y242 HydrophobicContact CG1-CG 4.47Å; I238-Y242 HydrophobicContact CG2-CD1 3.74Å; I238-Y242 HydrophobicContact CG2-CD2 4.08Å; I238-Y242 HydrophobicContact CG2-CE1 3.88Å; I238-Y242 HydrophobicContact CG2-CE2 4.22Å; I238-Y242 HydrophobicContact CG2-CG 3.85Å; N239-Y242 WeakPolarHBondContact OD1-CA 3.44Å; N239-Y242 WeakPolarHBondContact OD1-CB 3.47Å; N239-Y242 PolarHBondContact OD1-N 2.91Å; Y242-K244 PolarHBondContact O-N 3.01Å; Y242-T245 PolarHBondContact O-N 3.46Å; Y242-T245 VanDerWaalsContact O-N 3.09Å; Y242-T245 PolarHBondContact O-OG1 3.39Å; Y242-Y248 HydrophobicContact CD1-CG 4.41Å; Y242-Y248 HydrophobicContact CE1-CD2 4.06Å; Y242-Y248 HydrophobicContact CE1-CG 4.14Å; Y242-R249 PolarHBondContact OH-N 2.87Å; Y242-P300 HydrophobicContact CD2-CG 4.3Å; Y242-P300 HydrophobicContact CE2-CB 4.45Å; Y242-P300 HydrophobicContact CE2-CG 4.06Å
243	C	95.4	Very high	95.8	Very high	14 Å²	14	55.4 Å²	55.4	10%	0.095	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-68.5	-3.4	-179.9	-62.5	0	0	0	0	114.6	I238 T241 Y248 C263 F267	I238-C243 WeakPolarHBondContact CD1-SG 3.39Å; T241-C243 PolarHBondContact O-N 2.91Å; C243-Y248 WeakPolarHBondContact O-CE1 3.48Å; C243-C263 WeakPolarHBondContact CA-SG 3.47Å; C243-C263 HydrophobicContact CB-CB 3.59Å; C243-C263 WeakPolarHBondContact CB-SG 3.17Å; C243-C263 WeakPolarHBondContact SG-CA 3.47Å; C243-C263 WeakPolarHBondContact SG-CB 3.34Å; C243-C263 CovalentContact SG-SG 2.03Å; C243-C263 PolarHBondContact SG-SG 3.15Å; C243-F267 HydrophobicContact CB-CE2 3.67Å; C243-F267 HydrophobicContact CB-CZ 3.61Å
244	K	94.1	Very high	95.8	Very high	144 Å²	144	54.6 Å²	54.6	63%	0.626	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-108.4	-9.3	176.6	-58	-179	-179.3	-178.3	0	112.7	T241 Y242 F267	T241-K244 WeakPolarHBondContact O-CA 3.39Å; T241-K244 WeakPolarHBondContact O-CB 3.3Å; T241-K244 PolarHBondContact O-N 2.74Å; Y242-K244 PolarHBondContact O-N 3.01Å; K244-F267 HydrophobicContact CG-CZ 4.45Å
245	T	93	Very high	95.8	Very high	66 Å²	66	55 Å²	55	41%	0.405	28%	0.283	S	S	.	.	S	Bend	trans	-77	137.3	178.2	59.3	0	0	0	0	110	T241 Y242 G247 Y248	T241-T245 PolarHBondContact O-N 2.95Å; Y242-T245 PolarHBondContact O-N 3.46Å; Y242-T245 VanDerWaalsContact O-N 3.09Å; Y242-T245 PolarHBondContact O-OG1 3.39Å; T245-G247 PolarHBondContact O-N 3.49Å; T245-Y248 VanDerWaalsContact O-CD1 3.3Å; T245-Y248 WeakPolarHBondContact O-CD1 3.35Å
246	E	91.9	Very high	95.7	Very high	201 Å²	201	56.2 Å²	56.2	94%	0.939	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	138.7	176.1	-65.6	-170.5	163.4	0	0	111.7	Y248	E246-Y248 VanDerWaalsContact C-N 3.35Å; E246-Y248 PolarHBondContact O-N 3.16Å
247	G	90	Very high	95.4	Very high	84 Å²	84	60.8 Å²	60.8	87%	0.866	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.4	20.7	175.5	0	0	0	0	0	115.9	T245	T245-G247 PolarHBondContact O-N 3.49Å
248	Y	92.3	Very high	95	Very high	53 Å²	53	69.5 Å²	69.5	21%	0.208	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-57.4	148.2	175.3	70.7	-103.4	0	0	0	112	Y242 C243 T245 E246 K250 C263	Y242-Y248 HydrophobicContact CD1-CG 4.41Å; Y242-Y248 HydrophobicContact CE1-CD2 4.06Å; Y242-Y248 HydrophobicContact CE1-CG 4.14Å; C243-Y248 WeakPolarHBondContact O-CE1 3.48Å; T245-Y248 VanDerWaalsContact O-CD1 3.3Å; T245-Y248 WeakPolarHBondContact O-CD1 3.35Å; E246-Y248 VanDerWaalsContact C-N 3.35Å; E246-Y248 PolarHBondContact O-N 3.16Å; Y248-K250 HydrophobicContact CE2-CG 4Å; Y248-K250 PolarHBondContact O-N 2.84Å; Y248-C263 HydrophobicContact CE2-CB 4Å
249	R	93.9	Very high	94.6	Very high	119 Å²	119	72 Å²	72	45%	0.449	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-71.1	118.5	179.1	-178.1	-173.8	171.9	-173.2	-6	109.3	V90 Y242 V251	V90-R249 PolarHBondContact O-NH2 2.84Å; Y242-R249 PolarHBondContact OH-N 2.87Å; R249-V251 HydrophobicContact CG-CG1 3.94Å
250	K	95.9	Very high	94.5	Very high	148 Å²	148	77.6 Å²	77.6	64%	0.643	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-73.4	129.9	170.7	-67.9	-164.9	175.9	-166.5	0	110.6	Y248 D261	Y248-K250 HydrophobicContact CE2-CG 4Å; Y248-K250 PolarHBondContact O-N 2.84Å; K250-D261 VanDerWaalsContact CA-OD1 3.28Å; K250-D261 WeakPolarHBondContact CA-OD1 3.38Å; K250-D261 VanDerWaalsContact CB-OD1 3.23Å; K250-D261 WeakPolarHBondContact CB-OD1 3.39Å; K250-D261 WeakPolarHBondContact CG-OD1 3.2Å
251	V	97.3	Very high	94.5	Very high	9 Å²	9	77 Å²	77	6%	0.055	39%	0.391	C	S	.	.			trans	-143.2	152.8	179.4	-62.6	0	0	0	0	108.9	Q88 R249 D261 E262	Q88-V251 HydrophobicContact CG-CG2 4.16Å; R249-V251 HydrophobicContact CG-CG1 3.94Å; V251-D261 PolarHBondContact N-OD1 2.93Å; V251-D261 CarbonylContact O-C 3.55Å; V251-D261 WeakPolarHBondContact O-CA 3.42Å; V251-E262 HydrophobicContact CG2-CB 3.93Å; V251-E262 PolarHBondContact O-N 3.23Å
252	P	97.8	Very high	94.6	Very high	55 Å²	55	73.8 Å²	73.8	36%	0.357	37%	0.372	S	S	.	.	B	Isolated β-bridge	trans	-57.8	151.1	170.7	-21.4	33	0	0	0	111.3	G87 H254	G87-P252 VanDerWaalsContact CA-O 3.23Å; G87-P252 WeakPolarHBondContact CA-O 3.16Å; G87-P252 PolarHBondContact N-O 3.14Å; G87-P252 VanDerWaalsContact N-O 3.11Å; P252-H254 PolarHBondContact O-N 3.4Å; P252-H254 VanDerWaalsContact O-N 3.13Å
253	Y	97.7	Very high	94.7	Very high	44 Å²	44	72.2 Å²	72.2	17%	0.173	37%	0.366	C	S	.	.	S	Bend	trans	-53.6	-33.9	176.2	-179.4	-112.5	0	0	0	113.3	S86 R260 E265 Y266 F279	S86-Y253 WeakPolarHBondContact CA-O 3.36Å; Y253-R260 PolarHBondContact N-O 2.82Å; Y253-E265 HydrophobicContact CD1-CG 4.15Å; Y253-E265 HydrophobicContact CD2-CB 3.47Å; Y253-E265 VanDerWaalsContact CD2-CB 3.47Å; Y253-E265 HydrophobicContact CD2-CG 3.49Å; Y253-E265 VanDerWaalsContact CD2-CG 3.49Å; Y253-E265 HydrophobicContact CE1-CG 4.27Å; Y253-E265 HydrophobicContact CE2-CB 3.9Å; Y253-E265 HydrophobicContact CE2-CG 3.55Å; Y253-E265 HydrophobicContact CG-CB 3.96Å; Y253-E265 HydrophobicContact CG-CG 3.78Å; Y253-Y266 HydrophobicContact CD2-CD1 4.33Å; Y253-Y266 HydrophobicContact CD2-CE1 4.07Å; Y253-Y266 AromaticContact CE2-CD1 3.68Å; Y253-Y266 HydrophobicContact CE2-CD1 3.68Å; Y253-Y266 AromaticContact CE2-CE1 3.35Å; Y253-Y266 HydrophobicContact CE2-CE1 3.35Å; Y253-F279 HydrophobicContact CE2-CE2 4.47Å; Y253-F279 WeakPolarHBondContact OH-CZ 3.34Å
254	H	98.2	Very high	94.8	Very high	30 Å²	30	75.5 Å²	75.5	14%	0.139	38%	0.383	C	S	.	.	S	Bend	trans	-125.9	144.5	177.2	-71.3	151.1	0	0	0	112.1	N85 P252 Y256 E257	N85-H254 VanDerWaalsContact CB-CD2 3.45Å; N85-H254 WeakPolarHBondContact CB-CD2 3.49Å; N85-H254 CarbonylContact O-C 3.55Å; N85-H254 WeakPolarHBondContact O-CA 3.44Å; P252-H254 PolarHBondContact O-N 3.4Å; P252-H254 VanDerWaalsContact O-N 3.13Å; H254-Y256 HydrophobicContact CB-CD1 4.18Å; H254-Y256 HydrophobicContact CB-CE1 3.83Å; H254-Y256 HydrophobicContact CB-CE2 4.29Å; H254-Y256 PolarHBondContact CE1-OH 2.79Å; H254-Y256 AromaticContact CG-CE1 3.97Å; H254-Y256 AromaticContact CG-CZ 3.73Å; H254-Y256 AromaticContact ND1-CZ 3.78Å; H254-Y256 PolarHBondContact ND1-OH 2.99Å; H254-Y256 PolarHBondContact O-N 3.28Å; H254-E257 HydrophobicContact CB-CG 3.61Å; H254-E257 IonicContact CE1-OE1 2.63Å; H254-E257 IonicContact CG-OE1 3.02Å; H254-E257 IonicContact ND1-OE1 3.92Å; H254-E257 PolarHBondContact ND1-OE1 3.49Å
255	Y	98.1	Very high	94.9	Very high	10 Å²	10	69.7 Å²	69.7	4%	0.039	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-17.6	178.6	64.4	-103.7	0	0	0	114.3	N85 M89 A110 P111 Y115 V119	N85-Y255 WeakPolarHBondContact O-CD1 3.38Å; N85-Y255 PolarHBondContact O-N 2.79Å; M89-Y255 HydrophobicContact CB-CD1 4.14Å; M89-Y255 HydrophobicContact CB-CG 4.39Å; M89-Y255 HydrophobicContact CG-CD1 4.34Å; A110-Y255 HydrophobicContact CB-CE1 4.31Å; A110-Y255 WeakPolarHBondContact CB-OH 3.28Å; P111-Y255 WeakPolarHBondContact O-CE2 3.3Å; P111-Y255 PolarHBondContact O-OH 3.47Å; Y115-Y255 AromaticContact CD1-CD2 3.77Å; Y115-Y255 HydrophobicContact CD1-CD2 3.77Å; Y115-Y255 HydrophobicContact CD1-CE2 4.32Å; Y115-Y255 HydrophobicContact CD2-CD2 4.32Å; Y115-Y255 HydrophobicContact CD2-CE2 4.14Å; Y115-Y255 HydrophobicContact CE1-CD2 4.16Å; Y115-Y255 WeakPolarHBondContact CE1-O 3.47Å; Y115-Y255 AromaticContact CG-CD2 3.86Å; Y115-Y255 HydrophobicContact CG-CD2 3.86Å; Y115-Y255 AromaticContact CG-CE2 3.93Å; Y115-Y255 HydrophobicContact CG-CE2 3.93Å; V119-Y255 HydrophobicContact CG1-CD1 4.3Å; V119-Y255 HydrophobicContact CG1-CD2 4.29Å; V119-Y255 HydrophobicContact CG1-CE1 4.1Å; V119-Y255 HydrophobicContact CG1-CE2 4.09Å; V119-Y255 HydrophobicContact CG1-CG 4.41Å; V119-Y255 HydrophobicContact CG2-CE2 4.28Å
256	Y	96.7	Very high	95	Very high	27 Å²	27	67.3 Å²	67.3	11%	0.106	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	2.3	-168.3	54.2	-92.1	0	0	0	114.8	N85 A110 P111 Y115 H254	N85-Y256 HydrophobicContact CB-CE1 4.01Å; N85-Y256 PolarHBondContact ND2-OH 3.09Å; A110-Y256 HydrophobicContact CB-CD1 4.02Å; A110-Y256 HydrophobicContact CB-CE1 3.47Å; A110-Y256 VanDerWaalsContact CB-CE1 3.47Å; P111-Y256 VanDerWaalsContact CD-CB 3.5Å; P111-Y256 HydrophobicContact CG-CD2 4.39Å; P111-Y256 HydrophobicContact CG-CG 3.95Å; Y115-Y256 WeakPolarHBondContact OH-CA 3.47Å; H254-Y256 HydrophobicContact CB-CD1 4.18Å; H254-Y256 HydrophobicContact CB-CE1 3.83Å; H254-Y256 HydrophobicContact CB-CE2 4.29Å; H254-Y256 PolarHBondContact CE1-OH 2.79Å; H254-Y256 AromaticContact CG-CE1 3.97Å; H254-Y256 AromaticContact CG-CZ 3.73Å; H254-Y256 AromaticContact ND1-CZ 3.78Å; H254-Y256 PolarHBondContact ND1-OH 2.99Å; H254-Y256 PolarHBondContact O-N 3.28Å
257	E	92.6	Very high	95.2	Very high	95 Å²	95	60.4 Å²	60.4	44%	0.444	31%	0.308	S	S	.	.	S	Bend	trans	-145.9	150.9	177.9	56.7	-177	-155.3	0	0	110.4	H254	H254-E257 HydrophobicContact CB-CG 3.61Å; H254-E257 IonicContact CE1-OE1 2.63Å; H254-E257 IonicContact CG-OE1 3.02Å; H254-E257 IonicContact ND1-OE1 3.92Å; H254-E257 PolarHBondContact ND1-OE1 3.49Å
258	Q	89.4	Confident	95.5	Very high	195 Å²	195	60.8 Å²	60.8	91%	0.911	29%	0.29	S	S	*	.			trans	-70.8	142.5	166.7	-63.6	-175.5	-3.5	0	0	108.5
259	G	89.8	Confident	95.6	Very high	53 Å²	53	60.2 Å²	60.2	55%	0.546	29%	0.289	S	S	.	.			trans	-170.2	-172.1	-177.5	0	0	0	0	0	111.8
260	R	93.3	Very high	95.5	Very high	144 Å²	144	55.8 Å²	55.8	54%	0.543	27%	0.274	S	S	.	.	S	Bend	trans	-61.8	158.5	170.1	-76.6	-172.3	-75	-122.4	-0.4	110.4	Y253 E265	Y253-R260 PolarHBondContact N-O 2.82Å; R260-E265 IonicContact CZ-OE2 3.06Å; R260-E265 VanDerWaalsContact CZ-OE2 3.26Å; R260-E265 IonicContact NE-OE2 3.56Å; R260-E265 PolarHBondContact NE-OE2 2.96Å; R260-E265 IonicContact NH2-OE1 2.61Å; R260-E265 PolarHBondContact NH2-OE1 3.17Å; R260-E265 IonicContact NH2-OE2 3.8Å; R260-E265 PolarHBondContact NH2-OE2 3.34Å
261	D	96.7	Very high	95.3	Very high	22 Å²	22	55.3 Å²	55.3	12%	0.118	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-56.5	142.5	168.7	176.5	83.2	0	0	0	110.4	K250 V251 C263 D264 E265	K250-D261 VanDerWaalsContact CA-OD1 3.28Å; K250-D261 WeakPolarHBondContact CA-OD1 3.38Å; K250-D261 VanDerWaalsContact CB-OD1 3.23Å; K250-D261 WeakPolarHBondContact CB-OD1 3.39Å; K250-D261 WeakPolarHBondContact CG-OD1 3.2Å; V251-D261 PolarHBondContact N-OD1 2.93Å; V251-D261 CarbonylContact O-C 3.55Å; V251-D261 WeakPolarHBondContact O-CA 3.42Å; D261-C263 VanDerWaalsContact C-N 3.29Å; D261-C263 PolarHBondContact O-N 3.18Å; D261-C263 VanDerWaalsContact OD2-CB 3.31Å; D261-C263 WeakPolarHBondContact OD2-CB 3.39Å; D261-C263 PolarHBondContact OD2-N 3.31Å; D261-D264 HydrophobicContact CB-CB 4.22Å; D261-D264 PolarHBondContact O-N 3.36Å; D261-D264 PolarHBondContact OD2-N 2.91Å; D261-E265 PolarHBondContact O-N 3.2Å
262	E	97.4	Very high	95	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-53.9	-44.3	-178.2	175.4	179.4	-137.8	0	0	112.5	S86 Q88 I238 V251 Y266	S86-E262 VanDerWaalsContact CB-OE1 3.24Å; S86-E262 WeakPolarHBondContact CB-OE1 3.27Å; S86-E262 PolarHBondContact OG-OE1 3.49Å; S86-E262 PolarHBondContact OG-OE2 3.2Å; Q88-E262 WeakPolarHBondContact CG-OE2 3.2Å; Q88-E262 PolarHBondContact NE2-OE2 2.99Å; I238-E262 HydrophobicContact CD1-CG 4.15Å; I238-E262 WeakPolarHBondContact CG2-OE2 3.38Å; V251-E262 HydrophobicContact CG2-CB 3.93Å; V251-E262 PolarHBondContact O-N 3.23Å; E262-Y266 HydrophobicContact CG-CD2 4.11Å; E262-Y266 HydrophobicContact CG-CE2 3.61Å; E262-Y266 PolarHBondContact O-N 3.33Å; E262-Y266 PolarHBondContact OE1-OH 3.34Å
263	C	97.3	Very high	94.3	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.014	29%	0.292	C	S	.	.	H	α-helix	trans	-72.5	-38.9	-177.5	-74.4	0	0	0	0	111.9	C243 Y248 D261 E265 Y266 F267	C243-C263 WeakPolarHBondContact CA-SG 3.47Å; C243-C263 HydrophobicContact CB-CB 3.59Å; C243-C263 WeakPolarHBondContact CB-SG 3.17Å; C243-C263 WeakPolarHBondContact SG-CA 3.47Å; C243-C263 WeakPolarHBondContact SG-CB 3.34Å; C243-C263 CovalentContact SG-SG 2.03Å; C243-C263 PolarHBondContact SG-SG 3.15Å; Y248-C263 HydrophobicContact CE2-CB 4Å; D261-C263 VanDerWaalsContact C-N 3.29Å; D261-C263 PolarHBondContact O-N 3.18Å; D261-C263 VanDerWaalsContact OD2-CB 3.31Å; D261-C263 WeakPolarHBondContact OD2-CB 3.39Å; D261-C263 PolarHBondContact OD2-N 3.31Å; C263-E265 VanDerWaalsContact C-N 3.35Å; C263-E265 PolarHBondContact O-N 2.87Å; C263-Y266 PolarHBondContact O-N 3.34Å; C263-F267 HydrophobicContact CB-CE2 4.4Å; C263-F267 WeakPolarHBondContact O-CD2 3.39Å; C263-F267 PolarHBondContact O-N 2.9Å
264	D	96.6	Very high	93.7	Very high	84 Å²	84	64.7 Å²	64.7	45%	0.449	32%	0.318	S	S	.	.	H	α-helix	trans	-60.9	-44.1	175.2	-70.1	-22	0	0	0	111.3	D261 F267 L268	D261-D264 HydrophobicContact CB-CB 4.22Å; D261-D264 PolarHBondContact O-N 3.36Å; D261-D264 PolarHBondContact OD2-N 2.91Å; D264-F267 PolarHBondContact O-N 3.36Å; D264-L268 WeakPolarHBondContact O-CB 3.04Å; D264-L268 PolarHBondContact O-N 2.61Å
265	E	96.6	Very high	92.9	Very high	22 Å²	22	65.5 Å²	65.5	10%	0.103	34%	0.335	C	S	.	.	H	α-helix	trans	-64.2	-41.1	176.4	-165.8	69.2	-160.1	0	0	111.6	Y253 R260 D261 C263 L268 H269	Y253-E265 HydrophobicContact CD1-CG 4.15Å; Y253-E265 HydrophobicContact CD2-CB 3.47Å; Y253-E265 VanDerWaalsContact CD2-CB 3.47Å; Y253-E265 HydrophobicContact CD2-CG 3.49Å; Y253-E265 VanDerWaalsContact CD2-CG 3.49Å; Y253-E265 HydrophobicContact CE1-CG 4.27Å; Y253-E265 HydrophobicContact CE2-CB 3.9Å; Y253-E265 HydrophobicContact CE2-CG 3.55Å; Y253-E265 HydrophobicContact CG-CB 3.96Å; Y253-E265 HydrophobicContact CG-CG 3.78Å; R260-E265 IonicContact CZ-OE2 3.06Å; R260-E265 VanDerWaalsContact CZ-OE2 3.26Å; R260-E265 IonicContact NE-OE2 3.56Å; R260-E265 PolarHBondContact NE-OE2 2.96Å; R260-E265 IonicContact NH2-OE1 2.61Å; R260-E265 PolarHBondContact NH2-OE1 3.17Å; R260-E265 IonicContact NH2-OE2 3.8Å; R260-E265 PolarHBondContact NH2-OE2 3.34Å; D261-E265 PolarHBondContact O-N 3.2Å; C263-E265 VanDerWaalsContact C-N 3.35Å; C263-E265 PolarHBondContact O-N 2.87Å; E265-L268 PolarHBondContact O-N 3.38Å; E265-H269 PolarHBondContact O-CD2 2.71Å; E265-H269 PolarHBondContact O-N 2.92Å; E265-H269 IonicContact OE1-CD2 3.86Å; E265-H269 PolarHBondContact OE1-CD2 3.38Å; E265-H269 IonicContact OE1-NE2 2.79Å; E265-H269 PolarHBondContact OE1-NE2 2.83Å; E265-H269 VanDerWaalsContact OE1-NE2 3.1Å
266	Y	96.1	Very high	92.4	Very high	15 Å²	15	65.1 Å²	65.1	6%	0.059	33%	0.334	C	S	.	.	H	α-helix	trans	-63.8	-44.1	176.3	-72.8	-12.7	0	0	0	112.9	I238 Y253 E262 C263 H269 E270 F279 K283	I238-Y266 HydrophobicContact CD1-CD2 3.9Å; I238-Y266 HydrophobicContact CD1-CE2 3.64Å; I238-Y266 HydrophobicContact CG1-CD2 4.35Å; I238-Y266 HydrophobicContact CG1-CE2 3.69Å; Y253-Y266 HydrophobicContact CD2-CD1 4.33Å; Y253-Y266 HydrophobicContact CD2-CE1 4.07Å; Y253-Y266 AromaticContact CE2-CD1 3.68Å; Y253-Y266 HydrophobicContact CE2-CD1 3.68Å; Y253-Y266 AromaticContact CE2-CE1 3.35Å; Y253-Y266 HydrophobicContact CE2-CE1 3.35Å; E262-Y266 HydrophobicContact CG-CD2 4.11Å; E262-Y266 HydrophobicContact CG-CE2 3.61Å; E262-Y266 PolarHBondContact O-N 3.33Å; E262-Y266 PolarHBondContact OE1-OH 3.34Å; C263-Y266 PolarHBondContact O-N 3.34Å; Y266-H269 PolarHBondContact O-N 3.21Å; Y266-E270 WeakPolarHBondContact O-CB 3.47Å; Y266-E270 PolarHBondContact O-N 3.43Å; Y266-F279 HydrophobicContact CD1-CB 3.89Å; Y266-F279 AromaticContact CD1-CD2 3.4Å; Y266-F279 HydrophobicContact CD1-CD2 3.4Å; Y266-F279 VanDerWaalsContact CD1-CD2 3.4Å; Y266-F279 AromaticContact CD1-CE2 3.94Å; Y266-F279 HydrophobicContact CD1-CE2 3.94Å; Y266-F279 AromaticContact CD1-CG 3.72Å; Y266-F279 HydrophobicContact CD1-CG 3.72Å; Y266-F279 HydrophobicContact CE1-CB 4.3Å; Y266-F279 HydrophobicContact CE1-CD1 4.4Å; Y266-F279 HydrophobicContact CE1-CD2 4Å; Y266-F279 HydrophobicContact CE1-CE2 4.34Å; Y266-F279 HydrophobicContact CE1-CG 4.01Å; Y266-F279 HydrophobicContact CG-CB 4.19Å; Y266-F279 HydrophobicContact CG-CD2 4.26Å; Y266-F279 HydrophobicContact CG-CG 4.49Å; Y266-K283 PolarHBondContact OH-NZ 2.97Å
267	F	96.1	Very high	92.1	Very high	57 Å²	57	65.9 Å²	65.9	25%	0.25	34%	0.339	C	S	.	.	H	α-helix	trans	-66.6	-39.4	177.3	-72.7	-52.9	0	0	0	112.4	C243 K244 C263 D264 E270 H271 I280	C243-F267 HydrophobicContact CB-CE2 3.67Å; C243-F267 HydrophobicContact CB-CZ 3.61Å; K244-F267 HydrophobicContact CG-CZ 4.45Å; C263-F267 HydrophobicContact CB-CE2 4.4Å; C263-F267 WeakPolarHBondContact O-CD2 3.39Å; C263-F267 PolarHBondContact O-N 2.9Å; D264-F267 PolarHBondContact O-N 3.36Å; F267-E270 PolarHBondContact O-N 3.42Å; F267-H271 AromaticContact CD1-CE1 3.98Å; F267-H271 PolarHBondContact O-N 3.38Å; F267-H271 VanDerWaalsContact O-N 3.17Å; F267-H271 PolarHBondContact O-ND1 3.04Å; F267-I280 HydrophobicContact CD1-CD1 3.58Å; F267-I280 HydrophobicContact CE1-CD1 3.52Å
268	L	95	Very high	92.1	Very high	91 Å²	91	62.8 Å²	62.8	48%	0.476	32%	0.323	S	S	.	.	H	α-helix	trans	-56.6	-51.3	175.3	-177.1	77	0	0	0	110.8	D264 E265 A272	D264-L268 WeakPolarHBondContact O-CB 3.04Å; D264-L268 PolarHBondContact O-N 2.61Å; E265-L268 PolarHBondContact O-N 3.38Å; L268-A272 WeakPolarHBondContact O-CB 3.35Å; L268-A272 PolarHBondContact O-N 3.27Å; L268-A272 VanDerWaalsContact O-N 3.1Å
269	H	94.3	Very high	92.4	Very high	42 Å²	42	54.2 Å²	54.2	19%	0.194	28%	0.283	C	S	.	.	H	α-helix	trans	-70.2	-40.3	-179.4	-84.6	-101.9	0	0	0	112.8	E265 Y266 H271 A272 H277 R278 F279	E265-H269 PolarHBondContact O-CD2 2.71Å; E265-H269 PolarHBondContact O-N 2.92Å; E265-H269 IonicContact OE1-CD2 3.86Å; E265-H269 PolarHBondContact OE1-CD2 3.38Å; E265-H269 IonicContact OE1-NE2 2.79Å; E265-H269 PolarHBondContact OE1-NE2 2.83Å; E265-H269 VanDerWaalsContact OE1-NE2 3.1Å; Y266-H269 PolarHBondContact O-N 3.21Å; H269-H271 PolarHBondContact O-N 3.45Å; H269-A272 PolarHBondContact O-N 3.1Å; H269-H277 CarbonylContact C-O 3.16Å; H269-H277 HydrophobicContact CB-CB 4.42Å; H269-H277 AromaticContact ND1-CD2 3.66Å; H269-H277 PolarHBondContact ND1-N 2.95Å; H269-R278 PolarHBondContact O-NH1 3.27Å; H269-F279 HydrophobicContact CB-CD2 3.65Å; H269-F279 HydrophobicContact CB-CE2 3.55Å; H269-F279 AromaticContact CG-CE2 3.65Å
270	E	93.6	Very high	92.6	Very high	26 Å²	26	52.3 Å²	52.3	12%	0.121	26%	0.26	C	S	.	.	H	α-helix	trans	-60.7	-35.1	-178.8	-174.5	69.2	-160.2	0	0	111.7	Y266 F267 H277 R278 F279 I280 T281	Y266-E270 WeakPolarHBondContact O-CB 3.47Å; Y266-E270 PolarHBondContact O-N 3.43Å; F267-E270 PolarHBondContact O-N 3.42Å; E270-H277 PolarHBondContact N-O 2.94Å; E270-R278 PolarHBondContact O-NH1 3.07Å; E270-R278 WeakPolarHBondContact OE2-CA 3.32Å; E270-F279 PolarHBondContact OE2-N 3.42Å; E270-I280 HydrophobicContact CB-CD1 4.19Å; E270-I280 HydrophobicContact CB-CG1 4.33Å; E270-I280 HydrophobicContact CG-CB 4.06Å; E270-I280 HydrophobicContact CG-CD1 4.1Å; E270-I280 HydrophobicContact CG-CG1 4.2Å; E270-I280 WeakPolarHBondContact OE2-CB 3.43Å; E270-I280 PolarHBondContact OE2-N 2.9Å; E270-T281 WeakPolarHBondContact OE1-CB 3.34Å; E270-T281 PolarHBondContact OE1-N 2.95Å; E270-T281 PolarHBondContact OE1-OG1 3.42Å; E270-T281 PolarHBondContact OE2-N 3.32Å
271	H	91.4	Very high	92.7	Very high	138 Å²	138	46.5 Å²	46.5	64%	0.639	24%	0.241	S	C	*	.	H	α-helix	trans	-100.7	-4.3	-177.7	-59.3	96.1	0	0	0	114.1	F267 H269	F267-H271 AromaticContact CD1-CE1 3.98Å; F267-H271 PolarHBondContact O-N 3.38Å; F267-H271 VanDerWaalsContact O-N 3.17Å; F267-H271 PolarHBondContact O-ND1 3.04Å; H269-H271 PolarHBondContact O-N 3.45Å
272	A	90.1	Very high	92.7	Very high	21 Å²	21	45.6 Å²	45.6	17%	0.174	24%	0.236	C	C	.	.			trans	-60	133.5	178.7	0	0	0	0	0	110.9	L268 H269 Y274 R278	L268-A272 WeakPolarHBondContact O-CB 3.35Å; L268-A272 PolarHBondContact O-N 3.27Å; L268-A272 VanDerWaalsContact O-N 3.1Å; H269-A272 PolarHBondContact O-N 3.1Å; A272-Y274 VanDerWaalsContact C-N 3.33Å; A272-Y274 PolarHBondContact O-N 3.31Å; A272-R278 PolarHBondContact O-NH1 2.99Å; A272-R278 PolarHBondContact O-NH2 2.92Å
273	P	84.3	Confident	92.7	Very high	96 Å²	96	46 Å²	46	62%	0.623	24%	0.237	S	C	*	.	S	Bend	trans	-68.8	-34.3	-179.2	26.5	-33.7	0	0	0	111.8
274	Y	84.3	Confident	92.6	Very high	187 Å²	187	50.6 Å²	50.6	73%	0.733	26%	0.257	S	S	*	.	S	Bend	trans	-141.8	150.8	179.1	-56.6	-77.9	0	0	0	111.2	G212 A272 G276	G212-Y274 CarbonylContact O-C 3.59Å; G212-Y274 WeakPolarHBondContact O-CA 3.45Å; A272-Y274 VanDerWaalsContact C-N 3.33Å; A272-Y274 PolarHBondContact O-N 3.31Å; Y274-G276 PolarHBondContact O-N 3.47Å
275	G	80.9	Confident	92.6	Very high	48 Å²	48	46.8 Å²	46.8	50%	0.495	24%	0.237	S	C	.	.	S	Bend	trans	73.2	-7	172.1	0	0	0	0	0	115.4	G212	G212-G275 PolarHBondContact O-N 3.39Å
276	G	87.4	Confident	92.7	Very high	2 Å²	2	45.9 Å²	45.9	2%	0.021	23%	0.233	C	C	.	.			trans	-79	167.2	175.9	0	0	0	0	0	114	S213 Y214 Y274	S213-G276 WeakPolarHBondContact CA-O 3.35Å; Y214-G276 PolarHBondContact N-O 3.18Å; Y274-G276 PolarHBondContact O-N 3.47Å
277	H	91.4	Very high	92.8	Very high	42 Å²	42	46 Å²	46	19%	0.194	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-104.3	145.6	171.7	-65.8	-63.2	0	0	0	109.6	Y214 L215 H269 E270 F279	Y214-H277 WeakPolarHBondContact O-CA 3.3Å; Y214-H277 PolarHBondContact O-ND1 3.45Å; L215-H277 PolarHBondContact O-CE1 3.36Å; L215-H277 PolarHBondContact O-ND1 2.83Å; H269-H277 CarbonylContact C-O 3.16Å; H269-H277 HydrophobicContact CB-CB 4.42Å; H269-H277 AromaticContact ND1-CD2 3.66Å; H269-H277 PolarHBondContact ND1-N 2.95Å; E270-H277 PolarHBondContact N-O 2.94Å; H277-F279 HydrophobicContact CB-CD1 3.78Å; H277-F279 HydrophobicContact CB-CD2 3.93Å; H277-F279 HydrophobicContact CB-CE1 3.52Å; H277-F279 HydrophobicContact CB-CE2 3.72Å; H277-F279 HydrophobicContact CB-CG 3.99Å; H277-F279 HydrophobicContact CB-CZ 3.5Å; H277-F279 VanDerWaalsContact CB-CZ 3.5Å; H277-F279 AromaticContact CD2-CE1 3.9Å; H277-F279 AromaticContact CD2-CZ 3.4Å; H277-F279 VanDerWaalsContact CD2-CZ 3.4Å; H277-F279 WeakPolarHBondContact CD2-CZ 3.39Å; H277-F279 AromaticContact CG-CE1 3.82Å; H277-F279 AromaticContact CG-CZ 3.69Å; H277-F279 PolarHBondContact O-N 3.17Å; H277-F279 VanDerWaalsContact O-N 3.16Å
278	R	93	Very high	92.8	Very high	30 Å²	30	48.3 Å²	48.3	11%	0.113	25%	0.247	C	C	.	.			trans	-91.6	56.9	176	-54.2	-60.6	-177.2	-146.9	-7.5	110.5	F200 S211 H269 E270 A272 I280 T281 E282	F200-R278 HydrophobicContact CZ-CB 4.19Å; F200-R278 HydrophobicContact CZ-CG 4.31Å; S211-R278 PolarHBondContact O-NH2 3.47Å; H269-R278 PolarHBondContact O-NH1 3.27Å; E270-R278 PolarHBondContact O-NH1 3.07Å; E270-R278 WeakPolarHBondContact OE2-CA 3.32Å; A272-R278 PolarHBondContact O-NH1 2.99Å; A272-R278 PolarHBondContact O-NH2 2.92Å; R278-I280 VanDerWaalsContact C-N 3.33Å; R278-I280 PolarHBondContact O-N 2.87Å; R278-T281 CarbonylContact O-C 3.57Å; R278-T281 PolarHBondContact O-N 3.34Å; R278-T281 VanDerWaalsContact O-N 3.17Å; R278-E282 WeakPolarHBondContact O-CB 3.17Å; R278-E282 VanDerWaalsContact O-CG 3.31Å; R278-E282 WeakPolarHBondContact O-CG 3.48Å; R278-E282 PolarHBondContact O-N 3.27Å
279	F	94.7	Very high	92.9	Very high	15 Å²	15	44.4 Å²	44.4	7%	0.066	23%	0.226	C	C	.	.	H	α-helix	trans	-55.3	-41.4	-172.1	-67.3	-54.2	0	0	0	114.2	Y253 Y266 H269 E270 H277 K283	Y253-F279 HydrophobicContact CE2-CE2 4.47Å; Y253-F279 WeakPolarHBondContact OH-CZ 3.34Å; Y266-F279 HydrophobicContact CD1-CB 3.89Å; Y266-F279 AromaticContact CD1-CD2 3.4Å; Y266-F279 HydrophobicContact CD1-CD2 3.4Å; Y266-F279 VanDerWaalsContact CD1-CD2 3.4Å; Y266-F279 AromaticContact CD1-CE2 3.94Å; Y266-F279 HydrophobicContact CD1-CE2 3.94Å; Y266-F279 AromaticContact CD1-CG 3.72Å; Y266-F279 HydrophobicContact CD1-CG 3.72Å; Y266-F279 HydrophobicContact CE1-CB 4.3Å; Y266-F279 HydrophobicContact CE1-CD1 4.4Å; Y266-F279 HydrophobicContact CE1-CD2 4Å; Y266-F279 HydrophobicContact CE1-CE2 4.34Å; Y266-F279 HydrophobicContact CE1-CG 4.01Å; Y266-F279 HydrophobicContact CG-CB 4.19Å; Y266-F279 HydrophobicContact CG-CD2 4.26Å; Y266-F279 HydrophobicContact CG-CG 4.49Å; H269-F279 HydrophobicContact CB-CD2 3.65Å; H269-F279 HydrophobicContact CB-CE2 3.55Å; H269-F279 AromaticContact CG-CE2 3.65Å; E270-F279 PolarHBondContact OE2-N 3.42Å; H277-F279 HydrophobicContact CB-CD1 3.78Å; H277-F279 HydrophobicContact CB-CD2 3.93Å; H277-F279 HydrophobicContact CB-CE1 3.52Å; H277-F279 HydrophobicContact CB-CE2 3.72Å; H277-F279 HydrophobicContact CB-CG 3.99Å; H277-F279 HydrophobicContact CB-CZ 3.5Å; H277-F279 VanDerWaalsContact CB-CZ 3.5Å; H277-F279 AromaticContact CD2-CE1 3.9Å; H277-F279 AromaticContact CD2-CZ 3.4Å; H277-F279 VanDerWaalsContact CD2-CZ 3.4Å; H277-F279 WeakPolarHBondContact CD2-CZ 3.39Å; H277-F279 AromaticContact CG-CE1 3.82Å; H277-F279 AromaticContact CG-CZ 3.69Å; H277-F279 PolarHBondContact O-N 3.17Å; H277-F279 VanDerWaalsContact O-N 3.16Å; F279-K283 VanDerWaalsContact O-CG 3.23Å; F279-K283 WeakPolarHBondContact O-CG 3.5Å; F279-K283 PolarHBondContact O-N 3.33Å
280	I	95.3	Very high	93.1	Very high	14 Å²	14	42.9 Å²	42.9	7%	0.072	22%	0.22	C	C	.	.	H	α-helix	trans	-73.7	-41.5	-179.5	-57.9	-179.9	0	0	0	109.1	D240 F267 E270 R278 K283 K284	D240-I280 HydrophobicContact CB-CG2 3.91Å; F267-I280 HydrophobicContact CD1-CD1 3.58Å; F267-I280 HydrophobicContact CE1-CD1 3.52Å; E270-I280 HydrophobicContact CB-CD1 4.19Å; E270-I280 HydrophobicContact CB-CG1 4.33Å; E270-I280 HydrophobicContact CG-CB 4.06Å; E270-I280 HydrophobicContact CG-CD1 4.1Å; E270-I280 HydrophobicContact CG-CG1 4.2Å; E270-I280 WeakPolarHBondContact OE2-CB 3.43Å; E270-I280 PolarHBondContact OE2-N 2.9Å; R278-I280 VanDerWaalsContact C-N 3.33Å; R278-I280 PolarHBondContact O-N 2.87Å; I280-K283 PolarHBondContact O-N 3.46Å; I280-K284 PolarHBondContact O-N 2.89Å; I280-K284 VanDerWaalsContact O-N 3.15Å
281	T	94.8	Very high	93.2	Very high	22 Å²	22	47.2 Å²	47.2	14%	0.135	24%	0.239	C	C	.	.	H	α-helix	trans	-61.2	-43.4	174.1	-65.4	0	0	0	0	111.8	F200 T204 E270 R278 K284 V285	F200-T281 HydrophobicContact CE2-CG2 4.32Å; F200-T281 HydrophobicContact CZ-CG2 4.2Å; T204-T281 HydrophobicContact CG2-CG2 3.58Å; E270-T281 WeakPolarHBondContact OE1-CB 3.34Å; E270-T281 PolarHBondContact OE1-N 2.95Å; E270-T281 PolarHBondContact OE1-OG1 3.42Å; E270-T281 PolarHBondContact OE2-N 3.32Å; R278-T281 CarbonylContact O-C 3.57Å; R278-T281 PolarHBondContact O-N 3.34Å; R278-T281 VanDerWaalsContact O-N 3.17Å; T281-K284 WeakPolarHBondContact O-CB 3.42Å; T281-K284 PolarHBondContact O-N 2.95Å; T281-V285 PolarHBondContact O-N 3.4Å
282	E	96.2	Very high	93.3	Very high	3 Å²	3	48.1 Å²	48.1	1%	0.014	24%	0.241	C	C	.	.	H	α-helix	trans	-62.6	-43.7	176.7	-72	179	-167	0	0	111.6	F200 L215 S216 W219 R278 K284 V285 F286	F200-E282 HydrophobicContact CE2-CG 4.01Å; L215-E282 WeakPolarHBondContact CA-OE1 3.11Å; S216-E282 WeakPolarHBondContact CB-OE2 3.46Å; S216-E282 PolarHBondContact N-OE1 3.31Å; S216-E282 PolarHBondContact OG-OE2 3.11Å; W219-E282 HydrophobicContact CE3-CB 4.09Å; W219-E282 HydrophobicContact CE3-CG 3.69Å; W219-E282 HydrophobicContact CZ3-CB 4.47Å; W219-E282 HydrophobicContact CZ3-CG 4.23Å; R278-E282 WeakPolarHBondContact O-CB 3.17Å; R278-E282 VanDerWaalsContact O-CG 3.31Å; R278-E282 WeakPolarHBondContact O-CG 3.48Å; R278-E282 PolarHBondContact O-N 3.27Å; E282-K284 VanDerWaalsContact C-N 3.3Å; E282-K284 PolarHBondContact O-N 3.5Å; E282-V285 CarbonylContact O-C 3.59Å; E282-V285 WeakPolarHBondContact O-CA 3.47Å; E282-V285 WeakPolarHBondContact O-CB 3.38Å; E282-V285 PolarHBondContact O-N 3.06Å; E282-F286 HydrophobicContact CB-CE1 4.43Å; E282-F286 HydrophobicContact CB-CE2 4.16Å; E282-F286 HydrophobicContact CB-CZ 3.94Å; E282-F286 WeakPolarHBondContact O-CD1 3.5Å; E282-F286 VanDerWaalsContact O-CG 3.29Å; E282-F286 WeakPolarHBondContact O-CG 3.3Å; E282-F286 PolarHBondContact O-N 3.28Å
283	K	96.8	Very high	93.5	Very high	8 Å²	8	51.5 Å²	51.5	4%	0.035	25%	0.253	C	S	.	.	H	α-helix	trans	-59.3	-37.7	176.6	-75.3	170.5	173.5	88	0	113	I238 D240 Y266 F279 I280 V285 F286 A287 W302	I238-K283 WeakPolarHBondContact O-CD 3.46Å; I238-K283 WeakPolarHBondContact O-CE 3.39Å; D240-K283 HydrophobicContact CB-CB 4.01Å; Y266-K283 PolarHBondContact OH-NZ 2.97Å; F279-K283 VanDerWaalsContact O-CG 3.23Å; F279-K283 WeakPolarHBondContact O-CG 3.5Å; F279-K283 PolarHBondContact O-N 3.33Å; I280-K283 PolarHBondContact O-N 3.46Å; K283-V285 VanDerWaalsContact C-N 3.27Å; K283-V285 PolarHBondContact O-N 3.46Å; K283-F286 HydrophobicContact CG-CD2 4.49Å; K283-F286 PolarHBondContact O-N 2.81Å; K283-A287 PolarHBondContact O-N 2.88Å; K283-W302 HydrophobicContact CB-CH2 4.12Å; K283-W302 HydrophobicContact CG-CH2 4.16Å
284	K	96	Very high	94.1	Very high	99 Å²	99	54.3 Å²	54.3	43%	0.43	25%	0.251	S	S	.	.	H	α-helix	trans	-59.1	-39.7	171.8	-72.9	177.3	177.5	-177.8	0	112.2	D240 I280 T281 E282 K288	D240-K284 HydrophobicContact CB-CG 3.59Å; D240-K284 VanDerWaalsContact CG-CG 3.4Å; D240-K284 WeakPolarHBondContact OD2-CE 3.24Å; D240-K284 WeakPolarHBondContact OD2-CG 3.27Å; I280-K284 PolarHBondContact O-N 2.89Å; I280-K284 VanDerWaalsContact O-N 3.15Å; T281-K284 WeakPolarHBondContact O-CB 3.42Å; T281-K284 PolarHBondContact O-N 2.95Å; E282-K284 VanDerWaalsContact C-N 3.3Å; E282-K284 PolarHBondContact O-N 3.5Å; K284-K288 WeakPolarHBondContact O-CG 3.43Å; K284-K288 PolarHBondContact O-N 2.93Å
285	V	97	Very high	94.7	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.024	22%	0.218	C	C	.	.	H	α-helix	trans	-70.2	-42.2	176.4	179.7	0	0	0	0	110.6	E203 T204 W219 T281 E282 K283 A287 K288 W289	E203-V285 HydrophobicContact CB-CB 4.44Å; E203-V285 HydrophobicContact CB-CG1 3.72Å; E203-V285 HydrophobicContact CB-CG2 3.79Å; E203-V285 HydrophobicContact CG-CG1 3.69Å; T204-V285 HydrophobicContact CG2-CG2 3.87Å; W219-V285 HydrophobicContact CH2-CB 4.27Å; W219-V285 HydrophobicContact CH2-CG1 3.79Å; W219-V285 HydrophobicContact CH2-CG2 4.4Å; W219-V285 HydrophobicContact CZ3-CB 3.87Å; W219-V285 HydrophobicContact CZ3-CG1 3.79Å; W219-V285 HydrophobicContact CZ3-CG2 4.21Å; T281-V285 PolarHBondContact O-N 3.4Å; E282-V285 CarbonylContact O-C 3.59Å; E282-V285 WeakPolarHBondContact O-CA 3.47Å; E282-V285 WeakPolarHBondContact O-CB 3.38Å; E282-V285 PolarHBondContact O-N 3.06Å; K283-V285 VanDerWaalsContact C-N 3.27Å; K283-V285 PolarHBondContact O-N 3.46Å; V285-A287 VanDerWaalsContact C-N 3.26Å; V285-A287 PolarHBondContact O-N 2.83Å; V285-K288 CarbonylContact O-C 3.58Å; V285-K288 WeakPolarHBondContact O-CA 3.36Å; V285-K288 WeakPolarHBondContact O-CB 3.46Å; V285-K288 PolarHBondContact O-N 3.36Å; V285-W289 HydrophobicContact CG1-CD2 3.96Å; V285-W289 VanDerWaalsContact CG1-CE2 3.42Å; V285-W289 HydrophobicContact CG1-CG 4.39Å; V285-W289 HydrophobicContact CG1-CH2 4.26Å; V285-W289 HydrophobicContact CG1-CZ2 3.6Å; V285-W289 PolarHBondContact O-N 2.94Å
286	F	98.1	Very high	95.6	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.018	22%	0.217	C	C	.	.	H	α-helix	trans	-60	-37.8	177	-58.8	-19.3	0	0	0	112.1	W219 F222 M237 E282 K283 K288 W289 A290 F297 W302	W219-F286 HydrophobicContact CB-CZ 4.46Å; W219-F286 HydrophobicContact CD2-CE1 4.4Å; W219-F286 HydrophobicContact CE3-CD1 4.48Å; W219-F286 AromaticContact CE3-CE1 3.51Å; W219-F286 HydrophobicContact CE3-CE1 3.51Å; W219-F286 HydrophobicContact CE3-CZ 4Å; W219-F286 AromaticContact CZ3-CE1 3.99Å; W219-F286 HydrophobicContact CZ3-CE1 3.99Å; F222-F286 HydrophobicContact CB-CE1 4.28Å; F222-F286 HydrophobicContact CD1-CD1 4.21Å; F222-F286 HydrophobicContact CD1-CG 4.41Å; F222-F286 HydrophobicContact CD2-CZ 4.41Å; F222-F286 HydrophobicContact CE1-CB 4.4Å; F222-F286 HydrophobicContact CE1-CG 4.33Å; F222-F286 HydrophobicContact CG-CD1 4.31Å; F222-F286 HydrophobicContact CG-CE1 4.23Å; F222-F286 HydrophobicContact CZ-CD2 4.45Å; M237-F286 HydrophobicContact SD-CD2 3.89Å; M237-F286 HydrophobicContact SD-CE2 4.21Å; E282-F286 HydrophobicContact CB-CE1 4.43Å; E282-F286 HydrophobicContact CB-CE2 4.16Å; E282-F286 HydrophobicContact CB-CZ 3.94Å; E282-F286 WeakPolarHBondContact O-CD1 3.5Å; E282-F286 VanDerWaalsContact O-CG 3.29Å; E282-F286 WeakPolarHBondContact O-CG 3.3Å; E282-F286 PolarHBondContact O-N 3.28Å; K283-F286 HydrophobicContact CG-CD2 4.49Å; K283-F286 PolarHBondContact O-N 2.81Å; F286-K288 VanDerWaalsContact C-N 3.35Å; F286-K288 PolarHBondContact O-N 3.26Å; F286-W289 AromaticContact CD1-CE3 3.64Å; F286-W289 HydrophobicContact CD1-CE3 3.64Å; F286-W289 HydrophobicContact CD1-CH2 4.49Å; F286-W289 AromaticContact CD1-CZ3 3.6Å; F286-W289 HydrophobicContact CD1-CZ3 3.6Å; F286-W289 HydrophobicContact CE1-CE3 4.15Å; F286-W289 HydrophobicContact CE1-CH2 4.32Å; F286-W289 AromaticContact CE1-CZ3 3.61Å; F286-W289 HydrophobicContact CE1-CZ3 3.61Å; F286-W289 PolarHBondContact O-N 2.86Å; F286-A290 PolarHBondContact O-N 3.32Å; F286-F297 HydrophobicContact CB-CZ 3.96Å; F286-W302 HydrophobicContact CB-CH2 4.12Å; F286-W302 HydrophobicContact CB-CZ3 4.12Å
287	A	97.4	Very high	96.1	Very high	18 Å²	18	48.3 Å²	48.3	15%	0.149	22%	0.218	C	C	.	.	H	α-helix	trans	-62.4	-40.7	172.8	0	0	0	0	0	111.8	K283 V285 A290 K291 W302 L304	K283-A287 PolarHBondContact O-N 2.88Å; V285-A287 VanDerWaalsContact C-N 3.26Å; V285-A287 PolarHBondContact O-N 2.83Å; A287-A290 PolarHBondContact O-N 3.48Å; A287-K291 PolarHBondContact O-N 3.32Å; A287-W302 HydrophobicContact CB-CE3 4.14Å; A287-W302 HydrophobicContact CB-CZ3 3.97Å; A287-L304 HydrophobicContact CB-CD2 4.15Å
288	K	96.8	Very high	96.4	Very high	105 Å²	105	47.1 Å²	47.1	46%	0.457	21%	0.214	S	C	.	.	H	α-helix	trans	-64.4	-40.2	173.3	-66.8	176.3	-175.3	179.2	0	112	K284 V285 F286 K291	K284-K288 WeakPolarHBondContact O-CG 3.43Å; K284-K288 PolarHBondContact O-N 2.93Å; V285-K288 CarbonylContact O-C 3.58Å; V285-K288 WeakPolarHBondContact O-CA 3.36Å; V285-K288 WeakPolarHBondContact O-CB 3.46Å; V285-K288 PolarHBondContact O-N 3.36Å; F286-K288 VanDerWaalsContact C-N 3.35Å; F286-K288 PolarHBondContact O-N 3.26Å; K288-K291 PolarHBondContact O-N 3.48Å
289	W	97.6	Very high	96.5	Very high	9 Å²	9	47.9 Å²	47.9	3%	0.034	22%	0.219	C	C	.	.	H	α-helix	trans	-65.9	-38.8	177.4	-68.6	-12.3	0	0	0	111.8	V199 E203 W219 F222 I223 M226 V285 F286 K291 K292 H293 I295	V199-W289 HydrophobicContact CG1-CH2 4.33Å; V199-W289 HydrophobicContact CG1-CZ2 3.71Å; E203-W289 HydrophobicContact CG-CZ2 4.26Å; E203-W289 PolarHBondContact OE1-NE1 2.59Å; W219-W289 HydrophobicContact CD2-CH2 4.25Å; W219-W289 HydrophobicContact CE3-CH2 4.08Å; W219-W289 AromaticContact CH2-CH2 3.6Å; W219-W289 HydrophobicContact CH2-CH2 3.6Å; W219-W289 AromaticContact CH2-CZ2 3.68Å; W219-W289 HydrophobicContact CH2-CZ2 3.68Å; W219-W289 AromaticContact CZ2-CH2 3.76Å; W219-W289 HydrophobicContact CZ2-CH2 3.76Å; W219-W289 AromaticContact CZ2-CZ2 4Å; W219-W289 HydrophobicContact CZ2-CZ2 4Å; W219-W289 AromaticContact CZ3-CH2 3.77Å; W219-W289 HydrophobicContact CZ3-CH2 3.77Å; W219-W289 HydrophobicContact CZ3-CZ2 4.17Å; W219-W289 HydrophobicContact CZ3-CZ3 4.44Å; F222-W289 HydrophobicContact CB-CE3 4.23Å; F222-W289 HydrophobicContact CB-CZ3 3.77Å; F222-W289 HydrophobicContact CD1-CE3 4.2Å; I223-W289 HydrophobicContact CG1-CH2 4Å; I223-W289 HydrophobicContact CG1-CZ3 4.49Å; M226-W289 HydrophobicContact CE-CD2 3.76Å; M226-W289 HydrophobicContact CE-CE3 3.41Å; M226-W289 VanDerWaalsContact CE-CE3 3.41Å; M226-W289 HydrophobicContact CE-CH2 3.92Å; M226-W289 HydrophobicContact CE-CZ2 4.22Å; M226-W289 HydrophobicContact CE-CZ3 3.5Å; M226-W289 HydrophobicContact SD-CB 4.29Å; M226-W289 HydrophobicContact SD-CD2 4.01Å; M226-W289 HydrophobicContact SD-CE3 3.87Å; M226-W289 HydrophobicContact SD-CG 4.23Å; V285-W289 HydrophobicContact CG1-CD2 3.96Å; V285-W289 VanDerWaalsContact CG1-CE2 3.42Å; V285-W289 HydrophobicContact CG1-CG 4.39Å; V285-W289 HydrophobicContact CG1-CH2 4.26Å; V285-W289 HydrophobicContact CG1-CZ2 3.6Å; V285-W289 PolarHBondContact O-N 2.94Å; F286-W289 AromaticContact CD1-CE3 3.64Å; F286-W289 HydrophobicContact CD1-CE3 3.64Å; F286-W289 HydrophobicContact CD1-CH2 4.49Å; F286-W289 AromaticContact CD1-CZ3 3.6Å; F286-W289 HydrophobicContact CD1-CZ3 3.6Å; F286-W289 HydrophobicContact CE1-CE3 4.15Å; F286-W289 HydrophobicContact CE1-CH2 4.32Å; F286-W289 AromaticContact CE1-CZ3 3.61Å; F286-W289 HydrophobicContact CE1-CZ3 3.61Å; F286-W289 PolarHBondContact O-N 2.86Å; W289-K291 PolarHBondContact O-N 3.45Å; W289-K292 CarbonylContact O-C 3.59Å; W289-K292 PolarHBondContact O-N 2.74Å; W289-H293 WeakPolarHBondContact O-CB 3.38Å; W289-H293 PolarHBondContact O-CD2 3.33Å; W289-H293 PolarHBondContact O-N 3.05Å; W289-I295 HydrophobicContact CB-CD1 4.12Å
290	A	97.5	Very high	96.6	Very high	10 Å²	10	48.6 Å²	48.6	8%	0.083	23%	0.225	C	C	.	.	H	α-helix	trans	-63.9	-20	176.7	0	0	0	0	0	114.7	F286 A287 K292 I295 F297 L304	F286-A290 PolarHBondContact O-N 3.32Å; A287-A290 PolarHBondContact O-N 3.48Å; A290-K292 VanDerWaalsContact C-N 3.34Å; A290-I295 HydrophobicContact CB-CB 3.93Å; A290-I295 HydrophobicContact CB-CG2 4.37Å; A290-F297 HydrophobicContact CB-CD2 4.36Å; A290-F297 HydrophobicContact CB-CE2 3.91Å; A290-L304 HydrophobicContact CB-CD1 3.71Å; A290-L304 HydrophobicContact CB-CD2 4.11Å
291	K	95.6	Very high	96.6	Very high	117 Å²	117	53.7 Å²	53.7	51%	0.509	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-21.1	170.5	-62.7	-174.7	-175.8	-170.6	0	113.6	A287 K288 W289 L304 S305	A287-K291 PolarHBondContact O-N 3.32Å; K288-K291 PolarHBondContact O-N 3.48Å; W289-K291 PolarHBondContact O-N 3.45Å; K291-L304 HydrophobicContact CG-CB 4.46Å; K291-L304 HydrophobicContact CG-CD1 4.42Å; K291-S305 VanDerWaalsContact CE-O 3.3Å; K291-S305 WeakPolarHBondContact CE-O 3.32Å; K291-S305 PolarHBondContact NZ-O 3.49Å; K291-S305 PolarHBondContact NZ-OXT 3.17Å
292	K	94.1	Very high	96.7	Very high	157 Å²	157	53.9 Å²	53.9	68%	0.683	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.2	-21.4	-173.8	-63.3	-178.8	-178.4	178	0	113.1	W289 A290	W289-K292 CarbonylContact O-C 3.59Å; W289-K292 PolarHBondContact O-N 2.74Å; A290-K292 VanDerWaalsContact C-N 3.34Å
293	H	94.2	Very high	96.3	Very high	91 Å²	91	59.8 Å²	59.8	42%	0.421	29%	0.287	S	S	.	.	S	Bend	trans	-123.7	158.6	-177.7	-61.8	-86.4	0	0	0	109.6	W289 I295	W289-H293 WeakPolarHBondContact O-CB 3.38Å; W289-H293 PolarHBondContact O-CD2 3.33Å; W289-H293 PolarHBondContact O-N 3.05Å; H293-I295 HydrophobicContact CB-CD1 3.86Å; H293-I295 HydrophobicContact CB-CG1 3.82Å; H293-I295 PolarHBondContact O-N 3.44Å
294	R	96.7	Very high	95.8	Very high	155 Å²	155	62.7 Å²	62.7	59%	0.585	30%	0.302	S	S	*	.	S	Bend	trans	-75.2	68.8	176.3	-65.7	179.9	63.1	147.1	1.1	110.7	Y230 I232	Y230-R294 PolarHBondContact OH-NH1 3.03Å; I232-R294 PolarHBondContact N-O 3.32Å
295	I	98.3	Very high	94.2	Very high	8 Å²	8	65.1 Å²	65.1	4%	0.041	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	122.6	179.7	-51.5	173.7	0	0	0	108.7	F222 M226 I232 V234 W289 A290 H293 F297	F222-I295 HydrophobicContact CD1-CD1 4.27Å; F222-I295 HydrophobicContact CE1-CD1 4.24Å; F222-I295 HydrophobicContact CE1-CG2 4.05Å; M226-I295 HydrophobicContact CG-CD1 4.38Å; M226-I295 HydrophobicContact SD-CD1 4.25Å; I232-I295 HydrophobicContact CB-CG1 4.2Å; I232-I295 HydrophobicContact CB-CG2 4.4Å; I232-I295 HydrophobicContact CD1-CG1 4.2Å; I232-I295 HydrophobicContact CG2-CG2 4.33Å; I232-I295 CarbonylContact O-C 3.59Å; I232-I295 VanDerWaalsContact O-CA 3.28Å; I232-I295 WeakPolarHBondContact O-CA 3.29Å; V234-I295 HydrophobicContact CG2-CG2 3.88Å; W289-I295 HydrophobicContact CB-CD1 4.12Å; A290-I295 HydrophobicContact CB-CB 3.93Å; A290-I295 HydrophobicContact CB-CG2 4.37Å; H293-I295 HydrophobicContact CB-CD1 3.86Å; H293-I295 HydrophobicContact CB-CG1 3.82Å; H293-I295 PolarHBondContact O-N 3.44Å; I295-F297 HydrophobicContact CG2-CD2 4.14Å; I295-F297 HydrophobicContact CG2-CE2 3.58Å; I295-F297 HydrophobicContact CG2-CZ 3.93Å
296	I	98.1	Very high	94	Very high	93 Å²	93	68.2 Å²	68.2	48%	0.477	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	128.9	176.1	-66	166.9	0	0	0	107.9	I232 H233 V234	I232-I296 PolarHBondContact O-N 3.24Å; H233-I296 CarbonylContact C-O 3.57Å; H233-I296 WeakPolarHBondContact CA-O 3.48Å; V234-I296 PolarHBondContact N-O 3.44Å
297	F	98.6	Very high	93.8	Very high	10 Å²	10	71.6 Å²	71.6	4%	0.044	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	134	173.3	-68.9	-92	0	0	0	109.7	F222 V234 M237 F286 A290 I295 N301 W302	F222-F297 HydrophobicContact CE1-CE1 4.23Å; F222-F297 AromaticContact CE1-CZ 3.66Å; F222-F297 HydrophobicContact CE1-CZ 3.66Å; F222-F297 AromaticContact CZ-CE1 3.67Å; F222-F297 HydrophobicContact CZ-CE1 3.67Å; F222-F297 AromaticContact CZ-CZ 3.6Å; F222-F297 HydrophobicContact CZ-CZ 3.6Å; V234-F297 HydrophobicContact CB-CD1 3.55Å; V234-F297 HydrophobicContact CB-CE1 3.79Å; V234-F297 HydrophobicContact CB-CG 4.23Å; V234-F297 HydrophobicContact CG1-CD1 3.7Å; V234-F297 HydrophobicContact CG1-CE1 3.71Å; V234-F297 HydrophobicContact CG2-CD1 4.02Å; V234-F297 HydrophobicContact CG2-CE1 3.84Å; V234-F297 HydrophobicContact CG2-CZ 4.23Å; M237-F297 HydrophobicContact CB-CD1 4.22Å; M237-F297 HydrophobicContact CB-CE1 4.42Å; M237-F297 HydrophobicContact SD-CD1 4.47Å; M237-F297 HydrophobicContact SD-CE1 3.77Å; F286-F297 HydrophobicContact CB-CZ 3.96Å; A290-F297 HydrophobicContact CB-CD2 4.36Å; A290-F297 HydrophobicContact CB-CE2 3.91Å; I295-F297 HydrophobicContact CG2-CD2 4.14Å; I295-F297 HydrophobicContact CG2-CE2 3.58Å; I295-F297 HydrophobicContact CG2-CZ 3.93Å; F297-N301 WeakPolarHBondContact O-CA 3.49Å; F297-W302 HydrophobicContact CB-CB 3.86Å; F297-W302 HydrophobicContact CB-CD2 3.73Å; F297-W302 HydrophobicContact CB-CG 3.38Å; F297-W302 AromaticContact CD1-CD2 3.82Å; F297-W302 HydrophobicContact CD1-CD2 3.82Å; F297-W302 AromaticContact CD1-CE2 3.45Å; F297-W302 VanDerWaalsContact CD1-CE2 3.45Å; F297-W302 HydrophobicContact CD1-CE3 4.23Å; F297-W302 HydrophobicContact CD1-CG 4.38Å; F297-W302 HydrophobicContact CD1-CH2 4Å; F297-W302 AromaticContact CD1-CZ2 3.54Å; F297-W302 HydrophobicContact CD1-CZ2 3.54Å; F297-W302 HydrophobicContact CD1-CZ3 4.32Å; F297-W302 AromaticContact CD1-NE1 3.82Å; F297-W302 HydrophobicContact CD2-CB 4.45Å; F297-W302 AromaticContact CD2-CD2 3.69Å; F297-W302 HydrophobicContact CD2-CD2 3.69Å; F297-W302 AromaticContact CD2-CE3 3.62Å; F297-W302 HydrophobicContact CD2-CE3 3.62Å; F297-W302 HydrophobicContact CD2-CG 4.1Å; F297-W302 HydrophobicContact CD2-CZ3 4.1Å; F297-W302 HydrophobicContact CE1-CD2 4.35Å; F297-W302 AromaticContact CE1-CE2 3.96Å; F297-W302 HydrophobicContact CE1-CE3 4.35Å; F297-W302 AromaticContact CE1-CH2 3.62Å; F297-W302 HydrophobicContact CE1-CH2 3.62Å; F297-W302 AromaticContact CE1-CZ2 3.58Å; F297-W302 HydrophobicContact CE1-CZ2 3.58Å; F297-W302 HydrophobicContact CE1-CZ3 4.02Å; F297-W302 HydrophobicContact CE2-CD2 4.23Å; F297-W302 AromaticContact CE2-CE3 3.76Å; F297-W302 HydrophobicContact CE2-CE3 3.76Å; F297-W302 HydrophobicContact CE2-CH2 4.24Å; F297-W302 AromaticContact CE2-CZ3 3.78Å; F297-W302 HydrophobicContact CE2-CZ3 3.78Å; F297-W302 HydrophobicContact CG-CB 4.39Å; F297-W302 AromaticContact CG-CD1 3.98Å; F297-W302 AromaticContact CG-CD2 3.47Å; F297-W302 HydrophobicContact CG-CD2 3.47Å; F297-W302 VanDerWaalsContact CG-CD2 3.47Å; F297-W302 AromaticContact CG-CE2 3.6Å; F297-W302 AromaticContact CG-CE3 3.88Å; F297-W302 HydrophobicContact CG-CE3 3.88Å; F297-W302 AromaticContact CG-CG 3.72Å; F297-W302 HydrophobicContact CG-CG 3.72Å; F297-W302 HydrophobicContact CG-CH2 4.47Å; F297-W302 HydrophobicContact CG-CZ2 4.11Å; F297-W302 HydrophobicContact CG-CZ3 4.37Å; F297-W302 AromaticContact CG-NE1 3.89Å; F297-W302 HydrophobicContact CZ-CE3 4.15Å; F297-W302 AromaticContact CZ-CH2 3.77Å; F297-W302 HydrophobicContact CZ-CH2 3.77Å; F297-W302 HydrophobicContact CZ-CZ2 4.18Å; F297-W302 AromaticContact CZ-CZ3 3.75Å; F297-W302 HydrophobicContact CZ-CZ3 3.75Å
298	T	97.4	Very high	93.6	Very high	17 Å²	17	74.6 Å²	74.6	10%	0.104	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	160.6	-179.4	-167.5	0	0	0	0	111.9	V234 Y235 G236 P300 N301	V234-T298 PolarHBondContact O-N 3.4Å; Y235-T298 WeakPolarHBondContact CA-O 3.39Å; Y235-T298 HydrophobicContact CD1-CG2 3.59Å; Y235-T298 HydrophobicContact CE1-CG2 3.69Å; Y235-T298 HydrophobicContact CG-CG2 4.15Å; G236-T298 PolarHBondContact N-O 2.92Å; G236-T298 VanDerWaalsContact N-O 3.16Å; T298-P300 CarbonylContact C-O 3.09Å; T298-P300 WeakPolarHBondContact CA-O 3.22Å; T298-N301 WeakPolarHBondContact CA-OD1 3.35Å; T298-N301 WeakPolarHBondContact CB-OD1 3.42Å; T298-N301 PolarHBondContact OG1-OD1 3.39Å
299	H	95.9	Very high	93.4	Very high	46 Å²	46	72.8 Å²	72.8	21%	0.213	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	56.4	-178.2	-51.8	88.8	0	0	0	113	Q92 Y235 G236	Q92-H299 HydrophobicContact CG-CB 4.19Å; Q92-H299 PolarHBondContact OE1-CD2 3.45Å; Q92-H299 VanDerWaalsContact OE1-CD2 3.23Å; Y235-H299 AromaticContact CD1-ND1 3.79Å; G236-H299 WeakPolarHBondContact CA-O 3.18Å; G236-H299 PolarHBondContact N-O 2.96Å
300	P	96.3	Very high	93.2	Very high	31 Å²	31	76.8 Å²	76.8	20%	0.201	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	cis	-94.8	159.8	10.9	35.4	-35.6	0	0	0	115	I238 Y242 T298	I238-P300 HydrophobicContact CG2-CG 3.97Å; Y242-P300 HydrophobicContact CD2-CG 4.3Å; Y242-P300 HydrophobicContact CE2-CB 4.45Å; Y242-P300 HydrophobicContact CE2-CG 4.06Å; T298-P300 CarbonylContact C-O 3.09Å; T298-P300 WeakPolarHBondContact CA-O 3.22Å
301	N	95.9	Very high	92.9	Very high	121 Å²	121	81.2 Å²	81.2	65%	0.647	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	138.6	174.9	-67.9	-21.9	0	0	0	111.4	F297 T298	F297-N301 WeakPolarHBondContact O-CA 3.49Å; T298-N301 WeakPolarHBondContact CA-OD1 3.35Å; T298-N301 WeakPolarHBondContact CB-OD1 3.42Å; T298-N301 PolarHBondContact OG1-OD1 3.39Å
302	W	95.9	Very high	92.7	Very high	26 Å²	26	78.6 Å²	78.6	10%	0.098	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-94.7	129.8	174.6	-70.1	21.9	0	0	0	111.1	M237 I238 N239 K283 F286 A287 F297 L304	M237-W302 HydrophobicContact CB-CZ2 4.28Å; M237-W302 HydrophobicContact CG-CZ2 3.87Å; M237-W302 PolarHBondContact O-NE1 3.17Å; M237-W302 HydrophobicContact SD-CH2 4.22Å; M237-W302 HydrophobicContact SD-CZ2 3.98Å; I238-W302 WeakPolarHBondContact O-CZ2 3.49Å; N239-W302 HydrophobicContact CB-CD2 3.56Å; N239-W302 HydrophobicContact CB-CE3 3.99Å; N239-W302 HydrophobicContact CB-CG 3.83Å; N239-W302 HydrophobicContact CB-CZ2 4.13Å; N239-W302 HydrophobicContact CB-CZ3 4.43Å; K283-W302 HydrophobicContact CB-CH2 4.12Å; K283-W302 HydrophobicContact CG-CH2 4.16Å; F286-W302 HydrophobicContact CB-CH2 4.12Å; F286-W302 HydrophobicContact CB-CZ3 4.12Å; A287-W302 HydrophobicContact CB-CE3 4.14Å; A287-W302 HydrophobicContact CB-CZ3 3.97Å; F297-W302 HydrophobicContact CB-CB 3.86Å; F297-W302 HydrophobicContact CB-CD2 3.73Å; F297-W302 HydrophobicContact CB-CG 3.38Å; F297-W302 AromaticContact CD1-CD2 3.82Å; F297-W302 HydrophobicContact CD1-CD2 3.82Å; F297-W302 AromaticContact CD1-CE2 3.45Å; F297-W302 VanDerWaalsContact CD1-CE2 3.45Å; F297-W302 HydrophobicContact CD1-CE3 4.23Å; F297-W302 HydrophobicContact CD1-CG 4.38Å; F297-W302 HydrophobicContact CD1-CH2 4Å; F297-W302 AromaticContact CD1-CZ2 3.54Å; F297-W302 HydrophobicContact CD1-CZ2 3.54Å; F297-W302 HydrophobicContact CD1-CZ3 4.32Å; F297-W302 AromaticContact CD1-NE1 3.82Å; F297-W302 HydrophobicContact CD2-CB 4.45Å; F297-W302 AromaticContact CD2-CD2 3.69Å; F297-W302 HydrophobicContact CD2-CD2 3.69Å; F297-W302 AromaticContact CD2-CE3 3.62Å; F297-W302 HydrophobicContact CD2-CE3 3.62Å; F297-W302 HydrophobicContact CD2-CG 4.1Å; F297-W302 HydrophobicContact CD2-CZ3 4.1Å; F297-W302 HydrophobicContact CE1-CD2 4.35Å; F297-W302 AromaticContact CE1-CE2 3.96Å; F297-W302 HydrophobicContact CE1-CE3 4.35Å; F297-W302 AromaticContact CE1-CH2 3.62Å; F297-W302 HydrophobicContact CE1-CH2 3.62Å; F297-W302 AromaticContact CE1-CZ2 3.58Å; F297-W302 HydrophobicContact CE1-CZ2 3.58Å; F297-W302 HydrophobicContact CE1-CZ3 4.02Å; F297-W302 HydrophobicContact CE2-CD2 4.23Å; F297-W302 AromaticContact CE2-CE3 3.76Å; F297-W302 HydrophobicContact CE2-CE3 3.76Å; F297-W302 HydrophobicContact CE2-CH2 4.24Å; F297-W302 AromaticContact CE2-CZ3 3.78Å; F297-W302 HydrophobicContact CE2-CZ3 3.78Å; F297-W302 HydrophobicContact CG-CB 4.39Å; F297-W302 AromaticContact CG-CD1 3.98Å; F297-W302 AromaticContact CG-CD2 3.47Å; F297-W302 HydrophobicContact CG-CD2 3.47Å; F297-W302 VanDerWaalsContact CG-CD2 3.47Å; F297-W302 AromaticContact CG-CE2 3.6Å; F297-W302 AromaticContact CG-CE3 3.88Å; F297-W302 HydrophobicContact CG-CE3 3.88Å; F297-W302 AromaticContact CG-CG 3.72Å; F297-W302 HydrophobicContact CG-CG 3.72Å; F297-W302 HydrophobicContact CG-CH2 4.47Å; F297-W302 HydrophobicContact CG-CZ2 4.11Å; F297-W302 HydrophobicContact CG-CZ3 4.37Å; F297-W302 AromaticContact CG-NE1 3.89Å; F297-W302 HydrophobicContact CZ-CE3 4.15Å; F297-W302 AromaticContact CZ-CH2 3.77Å; F297-W302 HydrophobicContact CZ-CH2 3.77Å; F297-W302 HydrophobicContact CZ-CZ2 4.18Å; F297-W302 AromaticContact CZ-CZ3 3.75Å; F297-W302 HydrophobicContact CZ-CZ3 3.75Å; W302-L304 HydrophobicContact CB-CD2 4.31Å; W302-L304 HydrophobicContact CE3-CD2 4.34Å
303	T	87.8	Confident	92.6	Very high	126 Å²	126	72.6 Å²	72.6	77%	0.773	39%	0.386	S	S	*	.			trans	-84.1	112.6	163.8	-50.1	0	0	0	0	108.8	S305	T303-S305 PolarHBondContact O-N 3.1Å
304	L	86.4	Confident	92.4	Very high	69 Å²	69	71.1 Å²	71.1	36%	0.361	38%	0.383	S	S	.	.			trans	-86.7	96.3	177.4	-56.9	178.6	0	0	0	109.2	A287 A290 K291 W302	A287-L304 HydrophobicContact CB-CD2 4.15Å; A290-L304 HydrophobicContact CB-CD1 3.71Å; A290-L304 HydrophobicContact CB-CD2 4.11Å; K291-L304 HydrophobicContact CG-CB 4.46Å; K291-L304 HydrophobicContact CG-CD1 4.42Å; W302-L304 HydrophobicContact CB-CD2 4.31Å; W302-L304 HydrophobicContact CE3-CD2 4.34Å
305	S	62	Low	92	Very high	151 Å²	151	63.5 Å²	63.5	100%	1.056	37%	0.365	S	S	*	.			trans	-79.4	0	170.8	62.8	0	0	0	0	110.8	K291 T303	K291-S305 VanDerWaalsContact CE-O 3.3Å; K291-S305 WeakPolarHBondContact CE-O 3.32Å; K291-S305 PolarHBondContact NZ-O 3.49Å; K291-S305 PolarHBondContact NZ-OXT 3.17Å; T303-S305 PolarHBondContact O-N 3.1Å

Retrieved 305 of 305 residues in 258.4 ms (Link to these results)

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