A0A3Q0KGZ5_SCHMA Loading...

Multifunctional fusion protein

AlphaFold DB , UniProt , Accession A0A3Q0KGZ5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 535 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.2	Very low	30.3	Very low	241 Å²	241	153.1 Å²	153.1	100%	1.187	86%	0.86	S	S	*	*				0	153.9	0	-85.9	-175.2	-175.9	0	0	108.9
2	L	33.4	Very low	30.4	Very low	175 Å²	175	150.1 Å²	150.1	92%	0.916	85%	0.854	S	S	*	*			trans	79.4	91.7	-179.9	-57.2	171.2	0	0	0	114.9
3	G	28.8	Very low	30.6	Very low	76 Å²	76	157.5 Å²	157.5	78%	0.784	86%	0.86	S	S	*	*			trans	-72.7	162.4	160.3	0	0	0	0	0	111.8
4	V	34.1	Very low	30.8	Very low	142 Å²	142	154.3 Å²	154.3	86%	0.861	85%	0.853	S	S	*	*			trans	-132.3	113.9	164	179.9	0	0	0	0	106.8
5	H	25.3	Very low	31.3	Very low	192 Å²	192	147.8 Å²	147.8	89%	0.889	82%	0.819	S	S	*	*			trans	-72.6	132.9	164.7	-82.6	-36.2	0	0	0	110.2
6	S	30.6	Very low	31.6	Very low	106 Å²	106	144.3 Å²	144.3	74%	0.741	81%	0.805	S	S	*	*			trans	-152.4	103	144.7	63.9	0	0	0	0	108.4
7	R	28.9	Very low	32.2	Very low	243 Å²	243	146.6 Å²	146.6	92%	0.917	81%	0.805	S	S	*	*				80.1	106.2	103.8	-75.4	-169.4	-172.5	-160.5	3	113.9
8	S	26.4	Very low	32.9	Very low	102 Å²	102	144.2 Å²	144.2	71%	0.713	78%	0.782	S	S	*	*			trans	-35.4	123.5	161.6	51.5	0	0	0	0	114.4	N10	S8-N10 PolarHBondContact O-N 2.74Å
9	C	30.6	Very low	33.2	Very low	130 Å²	130	146.2 Å²	146.2	88%	0.878	79%	0.785	S	S	*	*			trans	-86.6	97.7	160.5	-162.2	0	0	0	0	108.2
10	N	28.2	Very low	33.8	Very low	148 Å²	148	142.8 Å²	142.8	79%	0.791	76%	0.761	S	S	*	*			trans	-106.8	71.1	174.5	-100	-14.7	0	0	0	109.3	S8	S8-N10 PolarHBondContact O-N 2.74Å
11	V	31.4	Very low	34.1	Very low	129 Å²	129	144 Å²	144	78%	0.782	76%	0.762	S	S	*	*			trans	-150.3	74.9	160.1	-162.5	0	0	0	0	110.5
12	C	31.5	Very low	34.5	Very low	117 Å²	117	139.9 Å²	139.9	79%	0.791	74%	0.738	S	S	*	*			trans	-135.2	94.3	153.8	-99.3	0	0	0	0	105.6	C14	C12-C14 PolarHBondContact O-N 3.31Å
13	R	32.9	Very low	35.6	Very low	247 Å²	247	132.5 Å²	132.5	93%	0.932	70%	0.699	S	S	*	*			trans	-69	84.4	167.6	-76.7	-177.2	176.9	-173.7	-1	107.2	V15	R13-V15 PolarHBondContact O-N 2.94Å
14	C	33.4	Very low	36.7	Very low	112 Å²	112	134.1 Å²	134.1	76%	0.757	69%	0.69	S	S	*	*			trans	-62.1	115.7	170.8	-64.4	0	0	0	0	108.3	C12	C12-C14 PolarHBondContact O-N 3.31Å
15	V	38.3	Very low	37.5	Very low	57 Å²	57	131.5 Å²	131.5	35%	0.345	68%	0.678	S	S	.	*			trans	-55.4	133.8	165.2	-179.1	0	0	0	0	107.4	R13 K17 P34	R13-V15 PolarHBondContact O-N 2.94Å; V15-K17 PolarHBondContact O-N 3.12Å; V15-K17 VanDerWaalsContact O-N 3.16Å; V15-P34 HydrophobicContact CG2-CG 3.93Å
16	P	36.4	Very low	38.6	Very low	92 Å²	92	132.7 Å²	132.7	60%	0.597	67%	0.674	S	S	*	*			trans	-58.3	122.2	-178	-22.4	32.2	0	0	0	111.1	W18	P16-W18 VanDerWaalsContact O-CD1 3.3Å; P16-W18 PolarHBondContact O-N 3.45Å
17	K	41.1	Very low	39.9	Very low	184 Å²	184	134.7 Å²	134.7	80%	0.8	68%	0.676	S	S	*	*			trans	-67.5	113.4	167.1	-73.5	-174.4	176.3	-178.3	0	108.1	V15	V15-K17 PolarHBondContact O-N 3.12Å; V15-K17 VanDerWaalsContact O-N 3.16Å
18	W	45.3	Very low	41.7	Very low	103 Å²	103	124.4 Å²	124.4	39%	0.39	64%	0.638	S	S	.	*			trans	-72.7	130.8	-172.3	-71.8	91.6	0	0	0	112.3	P16 Y20	P16-W18 VanDerWaalsContact O-CD1 3.3Å; P16-W18 PolarHBondContact O-N 3.45Å; W18-Y20 WeakPolarHBondContact O-CD2 3.29Å; W18-Y20 WeakPolarHBondContact O-CE2 3.32Å; W18-Y20 PolarHBondContact O-N 3.37Å
19	Q	38.7	Very low	44.5	Very low	182 Å²	182	126.4 Å²	126.4	85%	0.85	64%	0.636	S	S	*	*			trans	-83.5	110.6	170.5	-73.4	-175.6	-8.9	0	0	110.1	Q21	Q19-Q21 VanDerWaalsContact C-N 3.34Å; Q19-Q21 PolarHBondContact O-N 3Å
20	Y	45	Very low	47.4	Very low	78 Å²	78	120.9 Å²	120.9	31%	0.306	60%	0.598	S	S	.	*			trans	-72.9	65.9	-174.2	-62.4	-81	0	0	0	114.9	W18 K125 L128 K129 D132	W18-Y20 WeakPolarHBondContact O-CD2 3.29Å; W18-Y20 WeakPolarHBondContact O-CE2 3.32Å; W18-Y20 PolarHBondContact O-N 3.37Å; Y20-K125 HydrophobicContact CD1-CB 4.41Å; Y20-K125 HydrophobicContact CD1-CG 3.82Å; Y20-K125 HydrophobicContact CG-CG 4.24Å; Y20-L128 HydrophobicContact CD1-CD1 4.33Å; Y20-L128 HydrophobicContact CE1-CB 3.57Å; Y20-L128 HydrophobicContact CE1-CD1 3.97Å; Y20-L128 HydrophobicContact CE1-CG 4.44Å; Y20-K129 PolarHBondContact OH-N 3.49Å; Y20-D132 PolarHBondContact OH-OD2 2.6Å
21	Q	40.7	Very low	50.5	Low	167 Å²	167	118.7 Å²	118.7	78%	0.78	59%	0.59	S	S	*	*			trans	-101.7	156.2	166.2	-76.4	-176.8	-10.3	0	0	111.8	Q19 L23	Q19-Q21 VanDerWaalsContact C-N 3.34Å; Q19-Q21 PolarHBondContact O-N 3Å; Q21-L23 PolarHBondContact O-N 2.78Å
22	K	44.3	Very low	53.6	Low	156 Å²	156	114.7 Å²	114.7	68%	0.678	56%	0.564	S	S	*	*			trans	-26.7	101.7	-169.6	-74.2	-179.6	178.4	176.4	0	114.3	L24 S25	K22-L24 PolarHBondContact O-N 3.39Å; K22-S25 PolarHBondContact O-N 3.28Å; K22-S25 PolarHBondContact O-OG 3.07Å
23	L	54.8	Low	56.8	Low	20 Å²	20	109.8 Å²	109.8	11%	0.105	53%	0.53	C	S	.	.	G	3₁₀ helix	trans	-61.1	-29.2	-178.2	-78.5	156.7	0	0	0	112.3	Q21 S25 R26 F28 A124 L128 V173	Q21-L23 PolarHBondContact O-N 2.78Å; L23-S25 PolarHBondContact O-N 3.02Å; L23-R26 VanDerWaalsContact O-O 3.07Å; L23-F28 HydrophobicContact CD2-CB 3.75Å; L23-F28 HydrophobicContact CD2-CD1 4.19Å; L23-F28 HydrophobicContact CD2-CD2 3.39Å; L23-F28 HydrophobicContact CD2-CE2 4.03Å; L23-F28 HydrophobicContact CD2-CG 3.5Å; L23-A124 HydrophobicContact CD1-CB 3.54Å; L23-L128 HydrophobicContact CD1-CD1 4.11Å; L23-L128 HydrophobicContact CD2-CD1 4.34Å; L23-V173 HydrophobicContact CD1-CG1 4.31Å
24	L	52.4	Low	59.8	Low	110 Å²	110	101 Å²	101	58%	0.576	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-69.4	-10.6	176.2	-69.9	168.5	0	0	0	114.3	K22	K22-L24 PolarHBondContact O-N 3.39Å
25	S	51	Low	62.8	Low	87 Å²	87	99.2 Å²	99.2	61%	0.608	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-104.8	-15.6	-172.8	69.7	0	0	0	0	115.7	K22 L23	K22-S25 PolarHBondContact O-N 3.28Å; K22-S25 PolarHBondContact O-OG 3.07Å; L23-S25 PolarHBondContact O-N 3.02Å
26	R	49.5	Very low	65.5	Low	217 Å²	217	99 Å²	99	82%	0.819	49%	0.487	S	S	*	.	S	Bend	trans	-128	151.8	172.7	-74.9	-171.9	176.7	-172.4	-0.3	109.6	L23 F28	L23-R26 VanDerWaalsContact O-O 3.07Å; R26-F28 VanDerWaalsContact C-N 3.28Å; R26-F28 PolarHBondContact O-N 3.14Å
27	L	56.4	Low	68.3	Low	148 Å²	148	99.2 Å²	99.2	78%	0.775	48%	0.482	S	S	*	.			trans	-62.3	92.8	169.2	-70.9	161.5	0	0	0	108	Q29	L27-Q29 PolarHBondContact O-N 2.98Å; L27-Q29 VanDerWaalsContact O-N 3.13Å
28	F	68	Low	70.9	Confident	27 Å²	27	90.6 Å²	90.6	12%	0.118	45%	0.445	C	S	.	.			trans	-67.5	104.3	167.1	176	-106.2	0	0	0	106.9	L23 R26 V30 L128 V173 Q174	L23-F28 HydrophobicContact CD2-CB 3.75Å; L23-F28 HydrophobicContact CD2-CD1 4.19Å; L23-F28 HydrophobicContact CD2-CD2 3.39Å; L23-F28 HydrophobicContact CD2-CE2 4.03Å; L23-F28 HydrophobicContact CD2-CG 3.5Å; R26-F28 VanDerWaalsContact C-N 3.28Å; R26-F28 PolarHBondContact O-N 3.14Å; F28-V30 HydrophobicContact CD1-CG2 3.93Å; F28-V30 HydrophobicContact CE1-CG2 3.2Å; F28-V30 HydrophobicContact CE2-CG2 4.49Å; F28-V30 HydrophobicContact CZ-CG2 3.53Å; F28-L128 HydrophobicContact CE1-CD2 4.25Å; F28-L128 HydrophobicContact CE2-CD1 4.07Å; F28-L128 HydrophobicContact CE2-CD2 4.27Å; F28-L128 HydrophobicContact CZ-CD1 4.01Å; F28-L128 HydrophobicContact CZ-CD2 3.51Å; F28-L128 HydrophobicContact CZ-CG 4.41Å; F28-V173 HydrophobicContact CD1-CG1 4.25Å; F28-V173 HydrophobicContact CE1-CB 4.19Å; F28-V173 HydrophobicContact CE1-CG1 3.83Å; F28-V173 HydrophobicContact CZ-CG1 4.42Å; F28-Q174 HydrophobicContact CD1-CB 3.99Å; F28-Q174 HydrophobicContact CD1-CG 4.49Å; F28-Q174 HydrophobicContact CE1-CB 4.14Å
29	Q	84.6	Confident	73.2	Confident	144 Å²	144	91.8 Å²	91.8	67%	0.673	45%	0.453	S	S	*	.			trans	-112.3	116.1	-179.9	-172.2	170.9	8.5	0	0	109	L27	L27-Q29 PolarHBondContact O-N 2.98Å; L27-Q29 VanDerWaalsContact O-N 3.13Å
30	V	91.6	Very high	75.7	Confident	13 Å²	13	88.6 Å²	88.6	8%	0.079	45%	0.448	C	S	.	.			trans	-85.7	142.7	-180	179.4	0	0	0	0	109.4	F28 R170 F171 Q174	F28-V30 HydrophobicContact CD1-CG2 3.93Å; F28-V30 HydrophobicContact CE1-CG2 3.2Å; F28-V30 HydrophobicContact CE2-CG2 4.49Å; F28-V30 HydrophobicContact CZ-CG2 3.53Å; V30-R170 HydrophobicContact CB-CB 4.4Å; V30-R170 HydrophobicContact CG1-CB 3.48Å; V30-R170 VanDerWaalsContact CG1-CB 3.48Å; V30-R170 HydrophobicContact CG2-CB 3.95Å; V30-F171 HydrophobicContact CB-CD1 4.07Å; V30-F171 HydrophobicContact CB-CD2 4.44Å; V30-F171 HydrophobicContact CB-CE1 3.94Å; V30-F171 HydrophobicContact CB-CE2 4.33Å; V30-F171 HydrophobicContact CB-CG 4.32Å; V30-F171 HydrophobicContact CB-CZ 4.08Å; V30-F171 HydrophobicContact CG1-CD1 4.15Å; V30-F171 HydrophobicContact CG1-CD2 3.64Å; V30-F171 HydrophobicContact CG1-CE1 4.04Å; V30-F171 HydrophobicContact CG1-CE2 3.53Å; V30-F171 HydrophobicContact CG1-CG 3.96Å; V30-F171 HydrophobicContact CG1-CZ 3.74Å; V30-Q174 HydrophobicContact CG2-CB 3.96Å
31	T	93.8	Very high	77.9	Confident	103 Å²	103	87.7 Å²	87.7	63%	0.632	46%	0.463	S	S	*	.			trans	-116.2	148.6	166.1	57.4	0	0	0	0	108.8
32	N	96.8	Very high	80.5	Confident	45 Å²	45	80.8 Å²	80.8	24%	0.241	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-55.8	141.1	177.1	-68.7	106.7	0	0	0	112.2	D167 V513 Q515	N32-D167 WeakPolarHBondContact CA-OD1 3.47Å; N32-D167 PolarHBondContact ND2-OD2 2.86Å; N32-V513 PolarHBondContact ND2-O 3.35Å; N32-Q515 PolarHBondContact OD1-NE2 3Å; N32-Q515 VanDerWaalsContact OD1-NE2 3.09Å
33	E	97.3	Very high	83.1	Confident	13 Å²	13	77.9 Å²	77.9	6%	0.061	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-57.9	131.8	171.9	179.2	61.9	-160.6	0	0	110.2	V35 S135 R139 A163 A166 D167 R170	E33-V35 PolarHBondContact O-N 3.2Å; E33-S135 WeakPolarHBondContact OE1-CB 3.31Å; E33-S135 PolarHBondContact OE1-OG 3.07Å; E33-S135 PolarHBondContact OE2-OG 3.12Å; E33-R139 IonicContact OE1-CZ 3.71Å; E33-R139 IonicContact OE1-NH1 2.77Å; E33-R139 PolarHBondContact OE1-NH1 3.47Å; E33-R139 IonicContact OE1-NH2 2.7Å; E33-A163 HydrophobicContact CB-CB 4.22Å; E33-A163 HydrophobicContact CG-CB 4.25Å; E33-A166 HydrophobicContact CB-CB 4.15Å; E33-A166 HydrophobicContact CG-CB 4.12Å; E33-D167 PolarHBondContact N-OD1 3.14Å; E33-R170 IonicContact OE2-CZ 3.12Å; E33-R170 IonicContact OE2-NH1 2.65Å; E33-R170 PolarHBondContact OE2-NH1 2.81Å; E33-R170 IonicContact OE2-NH2 3.8Å
34	P	96	Very high	85	Confident	64 Å²	64	79.3 Å²	79.3	42%	0.416	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-60.8	132	174.8	-24.4	34.8	0	0	0	111.9	V15 R139	V15-P34 HydrophobicContact CG2-CG 3.93Å; P34-R139 PolarHBondContact O-NH2 3.3Å
35	V	96.4	Very high	87.2	Confident	73 Å²	73	75.6 Å²	75.6	44%	0.442	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-83.8	117.5	170.9	177.6	0	0	0	0	108.6	E33 E158 I159 A163	E33-V35 PolarHBondContact O-N 3.2Å; V35-E158 HydrophobicContact CG1-CG 3.75Å; V35-I159 HydrophobicContact CG1-CG1 4.36Å; V35-A163 HydrophobicContact CG2-CB 4Å
36	L	96.3	Very high	89.4	Confident	53 Å²	53	76.6 Å²	76.6	28%	0.277	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-76.6	135.2	175	-55.6	-177.3	0	0	0	110	H38 E44 M140 E158	L36-H38 PolarHBondContact O-CD2 2.85Å; L36-H38 VanDerWaalsContact O-CD2 3.28Å; L36-E44 HydrophobicContact CB-CG 4.25Å; L36-E44 HydrophobicContact CD1-CB 3.99Å; L36-E44 HydrophobicContact CD1-CG 4.46Å; L36-M140 HydrophobicContact CD1-CE 4.22Å; L36-E158 VanDerWaalsContact CB-OE1 3.3Å; L36-E158 WeakPolarHBondContact CB-OE1 3.31Å; L36-E158 WeakPolarHBondContact CG-OE1 3.5Å; L36-E158 PolarHBondContact N-OE1 3.01Å; L36-E158 WeakPolarHBondContact O-CG 3.39Å
37	L	94.3	Very high	91.7	Very high	96 Å²	96	71.7 Å²	71.7	50%	0.503	39%	0.389	S	S	.	.			trans	-83.4	-12.8	-173.5	-64	179.3	0	0	0	113.8	K39 F155	L37-K39 HydrophobicContact CB-CG 4.09Å; L37-K39 PolarHBondContact O-N 2.91Å; L37-K39 VanDerWaalsContact O-N 3.1Å; L37-F155 WeakPolarHBondContact O-CE1 3.37Å
38	H	95	Very high	93.7	Very high	4 Å²	4	64.7 Å²	64.7	2%	0.019	35%	0.352	C	S	.	.			trans	48.3	41	179.2	-64.6	-77.3	0	0	0	113.6	L36 I154 E158	L36-H38 PolarHBondContact O-CD2 2.85Å; L36-H38 VanDerWaalsContact O-CD2 3.28Å; H38-I154 HydrophobicContact CB-CG2 3.58Å; H38-E158 IonicContact CD2-OE2 3.25Å; H38-E158 IonicContact CE1-OE2 3.15Å; H38-E158 IonicContact NE2-OE2 3.42Å; H38-E158 PolarHBondContact NE2-OE2 3.46Å
39	K	93.7	Very high	95.1	Very high	128 Å²	128	65.9 Å²	65.9	56%	0.557	36%	0.36	S	S	*	.			trans	-59.1	147.4	-179.6	-67.5	-175.6	-179	-179.1	0	110.4	L37 G41 S42 R45	L37-K39 HydrophobicContact CB-CG 4.09Å; L37-K39 PolarHBondContact O-N 2.91Å; L37-K39 VanDerWaalsContact O-N 3.1Å; K39-G41 PolarHBondContact O-N 3.27Å; K39-S42 PolarHBondContact N-OG 2.97Å; K39-S42 VanDerWaalsContact O-CB 3.25Å; K39-S42 WeakPolarHBondContact O-CB 3.35Å; K39-S42 PolarHBondContact O-N 3.18Å; K39-S42 PolarHBondContact O-OG 3.31Å; K39-R45 WeakPolarHBondContact O-CB 3.36Å
40	P	90.9	Very high	95.7	Very high	115 Å²	115	62.3 Å²	62.3	75%	0.747	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	130	172.1	-27.5	35.3	0	0	0	111.7	S42	P40-S42 VanDerWaalsContact C-N 3.26Å; P40-S42 PolarHBondContact O-N 3Å
41	G	91.6	Very high	96.1	Very high	59 Å²	59	63 Å²	63	61%	0.608	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.5	-3.7	179.9	0	0	0	0	0	116.2	K39 Q46	K39-G41 PolarHBondContact O-N 3.27Å; G41-Q46 PolarHBondContact O-NE2 3.29Å
42	S	96.8	Very high	96.3	Very high	22 Å²	22	58.5 Å²	58.5	15%	0.154	33%	0.327	C	S	.	.			trans	-68.9	155.3	174.5	66.8	0	0	0	0	112.3	K39 P40 E44 R45 Q46	K39-S42 PolarHBondContact N-OG 2.97Å; K39-S42 VanDerWaalsContact O-CB 3.25Å; K39-S42 WeakPolarHBondContact O-CB 3.35Å; K39-S42 PolarHBondContact O-N 3.18Å; K39-S42 PolarHBondContact O-OG 3.31Å; P40-S42 VanDerWaalsContact C-N 3.26Å; P40-S42 PolarHBondContact O-N 3Å; S42-E44 WeakPolarHBondContact CB-OE1 3.46Å; S42-E44 WeakPolarHBondContact CB-OE2 3.41Å; S42-E44 PolarHBondContact O-N 3.16Å; S42-E44 PolarHBondContact OG-OE1 3.18Å; S42-R45 PolarHBondContact O-N 3.43Å; S42-R45 WeakPolarHBondContact OG-CB 3.4Å; S42-R45 PolarHBondContact OG-N 3.47Å; S42-Q46 WeakPolarHBondContact O-CG 3.49Å; S42-Q46 PolarHBondContact O-N 3.33Å
43	T	97.4	Very high	96.4	Very high	95 Å²	95	61.2 Å²	61.2	58%	0.583	34%	0.342	S	S	*	.	H	α-helix	trans	-64.9	-40.3	-179.3	-56.9	0	0	0	0	111.7	R45 Q46 R47	T43-R45 VanDerWaalsContact C-N 3.29Å; T43-R45 PolarHBondContact O-N 3.12Å; T43-Q46 PolarHBondContact O-N 2.74Å; T43-R47 VanDerWaalsContact O-CG 3.29Å; T43-R47 WeakPolarHBondContact O-CG 3.04Å; T43-R47 PolarHBondContact O-N 3.25Å
44	E	96.1	Very high	96.4	Very high	50 Å²	50	64.2 Å²	64.2	23%	0.234	36%	0.361	C	S	.	.	H	α-helix	trans	-60.9	-39.5	173.9	65.2	-85.5	-159.7	0	0	111.8	L36 S42 R47 L48 M140	L36-E44 HydrophobicContact CB-CG 4.25Å; L36-E44 HydrophobicContact CD1-CB 3.99Å; L36-E44 HydrophobicContact CD1-CG 4.46Å; S42-E44 WeakPolarHBondContact CB-OE1 3.46Å; S42-E44 WeakPolarHBondContact CB-OE2 3.41Å; S42-E44 PolarHBondContact O-N 3.16Å; S42-E44 PolarHBondContact OG-OE1 3.18Å; E44-R47 PolarHBondContact O-N 3.25Å; E44-L48 WeakPolarHBondContact O-CB 3.32Å; E44-L48 PolarHBondContact O-N 3.12Å; E44-M140 HydrophobicContact CB-CE 4.03Å
45	R	96.8	Very high	96.5	Very high	32 Å²	32	61.4 Å²	61.4	12%	0.121	34%	0.342	C	S	.	.	H	α-helix	trans	-66.6	-46.6	178.3	178.2	57.3	-173.6	-92	-0.1	111.6	K39 S42 T43 R47 L48 D49	K39-R45 WeakPolarHBondContact O-CB 3.36Å; S42-R45 PolarHBondContact O-N 3.43Å; S42-R45 WeakPolarHBondContact OG-CB 3.4Å; S42-R45 PolarHBondContact OG-N 3.47Å; T43-R45 VanDerWaalsContact C-N 3.29Å; T43-R45 PolarHBondContact O-N 3.12Å; R45-R47 VanDerWaalsContact C-N 3.3Å; R45-R47 PolarHBondContact O-N 2.95Å; R45-L48 PolarHBondContact O-N 2.87Å; R45-D49 IonicContact CZ-OD1 3.68Å; R45-D49 IonicContact CZ-OD2 3.9Å; R45-D49 VanDerWaalsContact NE-CG 3.32Å; R45-D49 IonicContact NE-OD1 2.82Å; R45-D49 PolarHBondContact NE-OD1 3.45Å; R45-D49 IonicContact NE-OD2 3.03Å; R45-D49 PolarHBondContact NE-OD2 3.19Å; R45-D49 IonicContact NH2-OD1 3.63Å; R45-D49 IonicContact NH2-OD2 3.99Å; R45-D49 VanDerWaalsContact O-CG 3.26Å; R45-D49 PolarHBondContact O-N 3.19Å
46	Q	97.7	Very high	96.6	Very high	107 Å²	107	60.7 Å²	60.7	50%	0.5	34%	0.336	S	S	.	.	H	α-helix	trans	-60.1	-40.2	177	-69.7	169.1	2.1	0	0	112.3	G41 S42 T43 S50	G41-Q46 PolarHBondContact O-NE2 3.29Å; S42-Q46 WeakPolarHBondContact O-CG 3.49Å; S42-Q46 PolarHBondContact O-N 3.33Å; T43-Q46 PolarHBondContact O-N 2.74Å; Q46-S50 WeakPolarHBondContact O-CB 3.36Å; Q46-S50 PolarHBondContact O-N 3.16Å; Q46-S50 PolarHBondContact O-OG 3.48Å
47	R	98	Very high	96.6	Very high	115 Å²	115	62.6 Å²	62.6	43%	0.434	35%	0.353	S	S	.	.	H	α-helix	trans	-64.7	-42.9	175.5	-72.6	172.6	63.7	-170.7	-0.1	111.5	T43 E44 R45 T51 M140	T43-R47 VanDerWaalsContact O-CG 3.29Å; T43-R47 WeakPolarHBondContact O-CG 3.04Å; T43-R47 PolarHBondContact O-N 3.25Å; E44-R47 PolarHBondContact O-N 3.25Å; R45-R47 VanDerWaalsContact C-N 3.3Å; R45-R47 PolarHBondContact O-N 2.95Å; R47-T51 WeakPolarHBondContact O-CB 3.32Å; R47-T51 PolarHBondContact O-N 2.95Å; R47-T51 PolarHBondContact O-OG1 3.13Å; R47-M140 HydrophobicContact CB-CG 4.02Å; R47-M140 HydrophobicContact CB-SD 4.32Å
48	L	98.2	Very high	96.8	Very high	0 Å²	0	63 Å²	63	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-63.9	-49.1	177.3	180	56.8	0	0	0	111.4	E44 R45 S50 T51 L52 M140 L143 A144 I147 I154	E44-L48 WeakPolarHBondContact O-CB 3.32Å; E44-L48 PolarHBondContact O-N 3.12Å; R45-L48 PolarHBondContact O-N 2.87Å; L48-S50 VanDerWaalsContact C-N 3.34Å; L48-S50 PolarHBondContact O-N 3.5Å; L48-T51 CarbonylContact O-C 3.53Å; L48-T51 WeakPolarHBondContact O-CB 3.41Å; L48-T51 PolarHBondContact O-N 3.07Å; L48-L52 HydrophobicContact CD1-CD1 4.28Å; L48-L52 HydrophobicContact CD1-CG 4.25Å; L48-L52 HydrophobicContact CG-CD1 4.03Å; L48-L52 HydrophobicContact CG-CG 4.47Å; L48-L52 WeakPolarHBondContact O-CG 3.37Å; L48-L52 PolarHBondContact O-N 2.98Å; L48-M140 HydrophobicContact CB-SD 3.82Å; L48-M140 HydrophobicContact CD1-SD 4.39Å; L48-L143 HydrophobicContact CD1-CB 3.66Å; L48-L143 HydrophobicContact CD1-CD1 4.22Å; L48-L143 HydrophobicContact CD2-CD1 4.32Å; L48-A144 HydrophobicContact CD1-CB 4.39Å; L48-I147 HydrophobicContact CD1-CD1 4.22Å; L48-I147 HydrophobicContact CD2-CD1 4.12Å; L48-I154 HydrophobicContact CD2-CB 4.36Å; L48-I154 HydrophobicContact CD2-CD1 4.18Å; L48-I154 HydrophobicContact CD2-CG1 3.96Å; L48-I154 HydrophobicContact CD2-CG2 3.63Å
49	D	97.7	Very high	96.7	Very high	52 Å²	52	64.2 Å²	64.2	28%	0.278	37%	0.369	S	S	.	.	H	α-helix	trans	-58.3	-47.3	178.9	-65.9	-22.8	0	0	0	110.5	R45 T51 L52 D53	R45-D49 IonicContact CZ-OD1 3.68Å; R45-D49 IonicContact CZ-OD2 3.9Å; R45-D49 VanDerWaalsContact NE-CG 3.32Å; R45-D49 IonicContact NE-OD1 2.82Å; R45-D49 PolarHBondContact NE-OD1 3.45Å; R45-D49 IonicContact NE-OD2 3.03Å; R45-D49 PolarHBondContact NE-OD2 3.19Å; R45-D49 IonicContact NH2-OD1 3.63Å; R45-D49 IonicContact NH2-OD2 3.99Å; R45-D49 VanDerWaalsContact O-CG 3.26Å; R45-D49 PolarHBondContact O-N 3.19Å; D49-T51 VanDerWaalsContact C-N 3.26Å; D49-T51 PolarHBondContact O-N 3.29Å; D49-L52 WeakPolarHBondContact O-CB 3.35Å; D49-L52 PolarHBondContact O-N 3.38Å; D49-D53 PolarHBondContact O-N 3.02Å
50	S	98.2	Very high	96.8	Very high	70 Å²	70	61.3 Å²	61.3	49%	0.49	36%	0.364	S	S	.	.	H	α-helix	trans	-59.6	-36.4	175.7	-56.7	0	0	0	0	112.7	Q46 L48 T54	Q46-S50 WeakPolarHBondContact O-CB 3.36Å; Q46-S50 PolarHBondContact O-N 3.16Å; Q46-S50 PolarHBondContact O-OG 3.48Å; L48-S50 VanDerWaalsContact C-N 3.34Å; L48-S50 PolarHBondContact O-N 3.5Å; S50-T54 WeakPolarHBondContact O-CB 3.22Å; S50-T54 PolarHBondContact O-N 2.9Å; S50-T54 VanDerWaalsContact O-N 3.08Å; S50-T54 PolarHBondContact O-OG1 3.36Å
51	T	98.4	Very high	97.2	Very high	28 Å²	28	58.3 Å²	58.3	17%	0.172	34%	0.338	C	S	.	.	H	α-helix	trans	-72.8	-40.2	178.7	-54.9	0	0	0	0	111.2	R47 L48 D49 M55 M140 E141 A144	R47-T51 WeakPolarHBondContact O-CB 3.32Å; R47-T51 PolarHBondContact O-N 2.95Å; R47-T51 PolarHBondContact O-OG1 3.13Å; L48-T51 CarbonylContact O-C 3.53Å; L48-T51 WeakPolarHBondContact O-CB 3.41Å; L48-T51 PolarHBondContact O-N 3.07Å; D49-T51 VanDerWaalsContact C-N 3.26Å; D49-T51 PolarHBondContact O-N 3.29Å; T51-M55 WeakPolarHBondContact O-CB 3.5Å; T51-M55 PolarHBondContact O-N 3.33Å; T51-M140 HydrophobicContact CG2-CB 4.2Å; T51-M140 WeakPolarHBondContact OG1-CB 3.49Å; T51-E141 HydrophobicContact CG2-CG 4.11Å; T51-A144 HydrophobicContact CG2-CB 3.82Å
52	L	98.4	Very high	97.5	Very high	8 Å²	8	59.8 Å²	59.8	4%	0.042	33%	0.329	C	S	.	.	H	α-helix	trans	-60.5	-49.7	173.9	-76.7	166	0	0	0	110.9	L48 D49 T54 M55 I56 A144 I147 L148 L380	L48-L52 HydrophobicContact CD1-CD1 4.28Å; L48-L52 HydrophobicContact CD1-CG 4.25Å; L48-L52 HydrophobicContact CG-CD1 4.03Å; L48-L52 HydrophobicContact CG-CG 4.47Å; L48-L52 WeakPolarHBondContact O-CG 3.37Å; L48-L52 PolarHBondContact O-N 2.98Å; D49-L52 WeakPolarHBondContact O-CB 3.35Å; D49-L52 PolarHBondContact O-N 3.38Å; L52-T54 VanDerWaalsContact C-N 3.35Å; L52-T54 PolarHBondContact O-N 2.93Å; L52-M55 PolarHBondContact O-N 2.51Å; L52-M55 VanDerWaalsContact O-N 3.11Å; L52-I56 VanDerWaalsContact O-CG1 3.31Å; L52-I56 WeakPolarHBondContact O-CG1 3.08Å; L52-I56 PolarHBondContact O-N 2.85Å; L52-A144 HydrophobicContact CD2-CB 3.75Å; L52-A144 HydrophobicContact CG-CB 4.05Å; L52-I147 HydrophobicContact CD1-CD1 4.41Å; L52-I147 HydrophobicContact CD2-CB 4.19Å; L52-I147 HydrophobicContact CD2-CD1 4.4Å; L52-I147 HydrophobicContact CD2-CG2 3.97Å; L52-L148 HydrophobicContact CD2-CD1 4.2Å; L52-L148 HydrophobicContact CD2-CD2 4.1Å; L52-L148 HydrophobicContact CD2-CG 3.85Å; L52-L380 HydrophobicContact CD1-CD2 4.11Å; L52-L380 HydrophobicContact CD2-CD2 3.96Å; L52-L380 HydrophobicContact CG-CD2 4.48Å
53	D	98	Very high	97.6	Very high	102 Å²	102	58.8 Å²	58.8	55%	0.545	32%	0.321	S	S	.	.	H	α-helix	trans	-59.7	-45.8	179.1	-72	-19.4	0	0	0	111.7	D49 M55 S57	D49-D53 PolarHBondContact O-N 3.02Å; D53-M55 VanDerWaalsContact C-N 3.31Å; D53-M55 PolarHBondContact O-N 3.25Å; D53-S57 VanDerWaalsContact O-CB 3.3Å; D53-S57 WeakPolarHBondContact O-CB 3.34Å; D53-S57 PolarHBondContact O-N 3.28Å; D53-S57 PolarHBondContact O-OG 3.44Å
54	T	98.4	Very high	97.6	Very high	75 Å²	75	54.2 Å²	54.2	46%	0.46	29%	0.294	S	S	.	.	H	α-helix	trans	-61.2	-42.1	175.7	-60.2	0	0	0	0	111	S50 L52 S57 N58	S50-T54 WeakPolarHBondContact O-CB 3.22Å; S50-T54 PolarHBondContact O-N 2.9Å; S50-T54 VanDerWaalsContact O-N 3.08Å; S50-T54 PolarHBondContact O-OG1 3.36Å; L52-T54 VanDerWaalsContact C-N 3.35Å; L52-T54 PolarHBondContact O-N 2.93Å; T54-S57 PolarHBondContact O-N 3.35Å; T54-N58 WeakPolarHBondContact CG2-ND2 3.47Å; T54-N58 WeakPolarHBondContact O-CB 3.42Å; T54-N58 PolarHBondContact O-N 3.38Å; T54-N58 PolarHBondContact O-ND2 3.12Å
55	M	98.3	Very high	97.7	Very high	5 Å²	5	51.9 Å²	51.9	3%	0.025	28%	0.282	C	S	.	.	H	α-helix	trans	-70	-40.1	-177.2	-167.9	173.6	-70.7	0	0	112.7	T51 L52 D53 S57 G59 Y61 L90 E141 A144 S145 L148 Y239	T51-M55 WeakPolarHBondContact O-CB 3.5Å; T51-M55 PolarHBondContact O-N 3.33Å; L52-M55 PolarHBondContact O-N 2.51Å; L52-M55 VanDerWaalsContact O-N 3.11Å; D53-M55 VanDerWaalsContact C-N 3.31Å; D53-M55 PolarHBondContact O-N 3.25Å; M55-S57 VanDerWaalsContact C-N 3.35Å; M55-G59 PolarHBondContact O-N 3.08Å; M55-Y61 VanDerWaalsContact CA-OH 3.31Å; M55-Y61 WeakPolarHBondContact CA-OH 3.34Å; M55-Y61 HydrophobicContact CB-CE2 4.39Å; M55-Y61 HydrophobicContact CG-CD2 4.41Å; M55-Y61 HydrophobicContact CG-CE2 3.44Å; M55-Y61 VanDerWaalsContact CG-CE2 3.44Å; M55-Y61 WeakPolarHBondContact O-CE2 3.26Å; M55-L90 HydrophobicContact CG-CD1 4.22Å; M55-L90 HydrophobicContact SD-CD1 4.37Å; M55-E141 HydrophobicContact CE-CB 4.49Å; M55-A144 HydrophobicContact CE-CB 3.83Å; M55-A144 HydrophobicContact SD-CB 3.94Å; M55-S145 VanDerWaalsContact SD-CA 3.51Å; M55-S145 PolarHBondContact SD-N 3.49Å; M55-S145 VanDerWaalsContact SD-N 3.41Å; M55-L148 HydrophobicContact CB-CD1 3.9Å; M55-L148 HydrophobicContact CG-CD1 3.74Å; M55-L148 HydrophobicContact SD-CD1 3.79Å; M55-Y239 HydrophobicContact CE-CE1 4.07Å; M55-Y239 HydrophobicContact CG-CE1 4.43Å; M55-Y239 HydrophobicContact SD-CD1 4.5Å; M55-Y239 HydrophobicContact SD-CE1 3.82Å
56	I	97.7	Very high	97.8	Very high	59 Å²	59	50.4 Å²	50.4	30%	0.303	28%	0.277	S	S	.	.	H	α-helix	trans	-64.1	-43.2	173.6	-67.3	165.1	0	0	0	110.3	L52 L148 L380	L52-I56 VanDerWaalsContact O-CG1 3.31Å; L52-I56 WeakPolarHBondContact O-CG1 3.08Å; L52-I56 PolarHBondContact O-N 2.85Å; I56-L148 HydrophobicContact CD1-CD2 3.96Å; I56-L148 HydrophobicContact CG1-CD1 3.86Å; I56-L148 HydrophobicContact CG1-CD2 3.81Å; I56-L380 HydrophobicContact CD1-CD1 3.82Å; I56-L380 HydrophobicContact CD1-CD2 4.46Å
57	S	97.3	Very high	97.9	Very high	93 Å²	93	45.8 Å²	45.8	65%	0.65	26%	0.256	S	S	*	.	H	α-helix	trans	-72.3	-32.7	-174.7	-58	0	0	0	0	113.8	D53 T54 M55	D53-S57 VanDerWaalsContact O-CB 3.3Å; D53-S57 WeakPolarHBondContact O-CB 3.34Å; D53-S57 PolarHBondContact O-N 3.28Å; D53-S57 PolarHBondContact O-OG 3.44Å; T54-S57 PolarHBondContact O-N 3.35Å; M55-S57 VanDerWaalsContact C-N 3.35Å
58	N	97.3	Very high	97.8	Very high	105 Å²	105	42.8 Å²	42.8	56%	0.561	25%	0.249	S	C	*	.	H	α-helix	trans	-93.6	-3.2	-176	-70.6	-20.2	0	0	0	114.1	T54	T54-N58 WeakPolarHBondContact CG2-ND2 3.47Å; T54-N58 WeakPolarHBondContact O-CB 3.42Å; T54-N58 PolarHBondContact O-N 3.38Å; T54-N58 PolarHBondContact O-ND2 3.12Å
59	G	92.8	Very high	97.7	Very high	28 Å²	28	46.6 Å²	46.6	29%	0.289	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-68.1	165.1	175.6	0	0	0	0	0	113.2	M55	M55-G59 PolarHBondContact O-N 3.08Å
60	P	97.5	Very high	97.7	Very high	68 Å²	68	48.8 Å²	48.8	44%	0.442	29%	0.287	S	S	.	.	S	Bend	cis	-79	136.3	-2.6	31.6	-34.3	0	0	0	112.3	T89 L90 N92	P60-T89 HydrophobicContact CB-CG2 3.81Å; P60-L90 CarbonylContact C-O 3.51Å; P60-L90 WeakPolarHBondContact CA-O 3.32Å; P60-N92 WeakPolarHBondContact CG-ND2 3.37Å
61	Y	98.2	Very high	97.6	Very high	52 Å²	52	50.5 Å²	50.5	20%	0.204	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	155	175.6	-70.3	-83.4	0	0	0	112.6	M55 L90 A91 N92 Y239	M55-Y61 VanDerWaalsContact CA-OH 3.31Å; M55-Y61 WeakPolarHBondContact CA-OH 3.34Å; M55-Y61 HydrophobicContact CB-CE2 4.39Å; M55-Y61 HydrophobicContact CG-CD2 4.41Å; M55-Y61 HydrophobicContact CG-CE2 3.44Å; M55-Y61 VanDerWaalsContact CG-CE2 3.44Å; M55-Y61 WeakPolarHBondContact O-CE2 3.26Å; Y61-L90 HydrophobicContact CD2-CD1 4.31Å; Y61-L90 WeakPolarHBondContact CD2-O 3.32Å; Y61-L90 PolarHBondContact N-O 3.04Å; Y61-A91 CarbonylContact O-C 3.51Å; Y61-A91 WeakPolarHBondContact O-CA 3.28Å; Y61-N92 PolarHBondContact O-N 3.08Å; Y61-Y239 HydrophobicContact CD1-CE2 4.01Å; Y61-Y239 AromaticContact CD1-CZ 3.67Å; Y61-Y239 WeakPolarHBondContact CD1-OH 3.21Å; Y61-Y239 HydrophobicContact CD2-CD1 4.45Å; Y61-Y239 AromaticContact CD2-CE1 3.73Å; Y61-Y239 HydrophobicContact CD2-CE1 3.73Å; Y61-Y239 HydrophobicContact CD2-CE2 4.26Å; Y61-Y239 AromaticContact CD2-CZ 3.63Å; Y61-Y239 WeakPolarHBondContact CE1-OH 3.31Å; Y61-Y239 HydrophobicContact CE2-CE1 4.1Å; Y61-Y239 HydrophobicContact CG-CD2 4.44Å; Y61-Y239 AromaticContact CG-CE1 3.98Å; Y61-Y239 HydrophobicContact CG-CE1 3.98Å; Y61-Y239 AromaticContact CG-CE2 3.67Å; Y61-Y239 HydrophobicContact CG-CE2 3.67Å; Y61-Y239 AromaticContact CG-CZ 3.39Å
62	H	97.8	Very high	97.6	Very high	90 Å²	90	51.9 Å²	51.9	42%	0.417	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	124.8	176.5	-179.6	-97.9	0	0	0	110.9	Y94	H62-Y94 AromaticContact CD2-CE2 3.66Å; H62-Y94 AromaticContact NE2-CE2 3.18Å; H62-Y94 WeakPolarHBondContact NE2-CE2 3.41Å; H62-Y94 AromaticContact NE2-CZ 3.72Å; H62-Y94 PolarHBondContact NE2-OH 3.11Å
63	V	98.5	Very high	97.3	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	102.9	175.7	-177.4	0	0	0	0	110.2	A91 N92 F93 V238 Y239 Y242 F260	V63-A91 HydrophobicContact CG2-CB 4Å; V63-N92 PolarHBondContact N-O 3.2Å; V63-F93 HydrophobicContact CB-CB 3.86Å; V63-F93 HydrophobicContact CG1-CB 4.36Å; V63-F93 VanDerWaalsContact O-CA 3.31Å; V63-F93 WeakPolarHBondContact O-CA 3.29Å; V63-V238 HydrophobicContact CG1-CG2 3.86Å; V63-Y239 HydrophobicContact CG2-CD2 3.74Å; V63-Y242 HydrophobicContact CG1-CD1 4.3Å; V63-Y242 HydrophobicContact CG1-CD2 4.19Å; V63-Y242 HydrophobicContact CG1-CG 3.82Å; V63-Y242 HydrophobicContact CG2-CD1 4.14Å; V63-Y242 HydrophobicContact CG2-CG 4.39Å; V63-F260 HydrophobicContact CG1-CE1 3.76Å
64	P	98.4	Very high	96.9	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	30%	0.295	C	S	.	.			trans	-79.1	170.3	-179.4	31.2	-32.1	0	0	0	112.5	E71 Y242	P64-E71 HydrophobicContact CB-CB 3.74Å; P64-E71 HydrophobicContact CB-CG 4.25Å; P64-E71 HydrophobicContact CG-CB 3.78Å; P64-E71 HydrophobicContact CG-CG 3.74Å; P64-Y242 HydrophobicContact CG-CE2 3.99Å
65	I	98.7	Very high	96.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	125.4	159.1	-60.8	150.2	0	0	0	107.2	I67 L72 S74 Y94 A96 V261	I65-I67 HydrophobicContact CG2-CD1 4.2Å; I65-I67 HydrophobicContact CG2-CG1 4.1Å; I65-L72 HydrophobicContact CB-CB 4.26Å; I65-L72 PolarHBondContact N-O 3.44Å; I65-L72 PolarHBondContact O-N 3.45Å; I65-S74 WeakPolarHBondContact CD1-OG 3.46Å; I65-Y94 WeakPolarHBondContact CG1-O 3.34Å; I65-A96 HydrophobicContact CD1-CB 3.89Å; I65-A96 HydrophobicContact CG1-CB 4.12Å; I65-A96 HydrophobicContact CG2-CB 4.08Å; I65-V261 HydrophobicContact CG2-CG1 4.38Å
66	C	98.6	Very high	96.2	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.014	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	112.9	-178.4	-53.1	0	0	0	0	111.1	N70 Y245 N259 F260	C66-N70 WeakPolarHBondContact CA-O 3.43Å; C66-Y245 HydrophobicContact CB-CD1 4.38Å; C66-Y245 HydrophobicContact CB-CE1 3.46Å; C66-Y245 VanDerWaalsContact CB-CE1 3.46Å; C66-Y245 WeakPolarHBondContact CB-OH 3.43Å; C66-Y245 WeakPolarHBondContact SG-CE1 3.34Å; C66-N259 CarbonylContact O-C 3.55Å; C66-N259 WeakPolarHBondContact O-CA 3.34Å; C66-N259 WeakPolarHBondContact O-CB 3.49Å; C66-F260 HydrophobicContact CB-CB 4Å; C66-F260 PolarHBondContact N-O 2.91Å; C66-F260 PolarHBondContact O-N 3.31Å
67	I	98.5	Very high	96.1	Very high	10 Å²	10	58.5 Å²	58.5	5%	0.051	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	120.8	175.9	-57.6	177	0	0	0	108.1	I65 S69 N70 L72 Q100 A104 N259	I65-I67 HydrophobicContact CG2-CD1 4.2Å; I65-I67 HydrophobicContact CG2-CG1 4.1Å; I67-S69 PolarHBondContact O-N 3.42Å; I67-N70 PolarHBondContact N-O 3Å; I67-N70 WeakPolarHBondContact O-CB 3.34Å; I67-N70 PolarHBondContact O-N 3.16Å; I67-L72 HydrophobicContact CB-CD1 4.49Å; I67-L72 HydrophobicContact CD1-CD1 3.91Å; I67-L72 HydrophobicContact CG1-CD1 4.34Å; I67-Q100 HydrophobicContact CD1-CB 4.25Å; I67-Q100 WeakPolarHBondContact CD1-O 3.43Å; I67-A104 HydrophobicContact CD1-CB 3.95Å; I67-A104 HydrophobicContact CG1-CB 3.94Å; I67-A104 HydrophobicContact CG2-CB 4.42Å; I67-N259 WeakPolarHBondContact CA-OD1 3.3Å
68	D	96.3	Very high	96.1	Very high	52 Å²	52	59.9 Å²	59.9	28%	0.278	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	-112.6	-169.4	-66.3	-48.6	0	0	0	112.3	S107 P255 G256 N259	D68-S107 WeakPolarHBondContact OD1-CB 3.32Å; D68-S107 PolarHBondContact OD1-OG 2.85Å; D68-S107 WeakPolarHBondContact OD2-CB 3.48Å; D68-S107 PolarHBondContact OD2-OG 3.03Å; D68-P255 HydrophobicContact CB-CB 4.27Å; D68-G256 WeakPolarHBondContact OD1-CA 3.39Å; D68-N259 PolarHBondContact N-OD1 3.33Å
69	S	96	Very high	96.1	Very high	80 Å²	80	62.8 Å²	62.8	56%	0.559	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	-0.6	175	-64.3	0	0	0	0	112	I67 R249 P255	I67-S69 PolarHBondContact O-N 3.42Å; S69-R249 PolarHBondContact OG-NH2 3.15Å; S69-P255 WeakPolarHBondContact OG-CG 3.36Å
70	N	97.7	Very high	96.4	Very high	98 Å²	98	61.6 Å²	61.6	52%	0.524	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	136.6	-175.9	-58.7	-45.1	0	0	0	110.4	C66 I67 L72	C66-N70 WeakPolarHBondContact CA-O 3.43Å; I67-N70 PolarHBondContact N-O 3Å; I67-N70 WeakPolarHBondContact O-CB 3.34Å; I67-N70 PolarHBondContact O-N 3.16Å; N70-L72 HydrophobicContact CB-CD2 4.14Å; N70-L72 HydrophobicContact CB-CG 4.41Å
71	E	97.7	Very high	96.5	Very high	106 Å²	106	60 Å²	60	50%	0.495	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	123.1	167.5	-67.2	-169.9	159	0	0	108.1	P64 Y242	P64-E71 HydrophobicContact CB-CB 3.74Å; P64-E71 HydrophobicContact CB-CG 4.25Å; P64-E71 HydrophobicContact CG-CB 3.78Å; P64-E71 HydrophobicContact CG-CG 3.74Å; E71-Y242 PolarHBondContact OE1-OH 2.99Å
72	L	97.5	Very high	96.5	Very high	57 Å²	57	58 Å²	58	30%	0.298	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	151	-172.7	-53	174.1	0	0	0	110.1	I65 I67 N70	I65-L72 HydrophobicContact CB-CB 4.26Å; I65-L72 PolarHBondContact N-O 3.44Å; I65-L72 PolarHBondContact O-N 3.45Å; I67-L72 HydrophobicContact CB-CD1 4.49Å; I67-L72 HydrophobicContact CD1-CD1 3.91Å; I67-L72 HydrophobicContact CG1-CD1 4.34Å; N70-L72 HydrophobicContact CB-CD2 4.14Å; N70-L72 HydrophobicContact CB-CG 4.41Å
73	S	93	Very high	96.5	Very high	63 Å²	63	53.7 Å²	53.7	44%	0.441	29%	0.29	S	S	.	.			trans	-115.7	160.2	167.2	-57	0	0	0	0	109.2	Y94	S73-Y94 WeakPolarHBondContact OG-CE2 3.4Å
74	S	88.6	Confident	96.5	Very high	25 Å²	25	54 Å²	54	18%	0.175	29%	0.291	C	S	.	.			trans	-151.9	128.7	178.4	52.4	0	0	0	0	111.3	I65 Y94 H95	I65-S74 WeakPolarHBondContact CD1-OG 3.46Å; S74-Y94 WeakPolarHBondContact O-CD1 3.34Å; S74-H95 PolarHBondContact OG-O 2.96Å
75	G	88.9	Confident	96.5	Very high	73 Å²	73	56.6 Å²	56.6	75%	0.753	30%	0.303	S	S	*	.	S	Bend	trans	56.3	-143.9	177.6	0	0	0	0	0	113.1
76	Q	92.7	Very high	96.4	Very high	170 Å²	170	59.1 Å²	59.1	79%	0.794	32%	0.315	S	S	*	.	S	Bend	trans	-86	139.5	178	-66	-60.1	-36	0	0	111.2
77	P	95.9	Very high	96.4	Very high	57 Å²	57	63.4 Å²	63.4	37%	0.37	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-65	141.3	175.5	27.4	-33.1	0	0	0	111.2	N92 F93 Y94	P77-N92 HydrophobicContact CB-CB 4.15Å; P77-F93 CarbonylContact C-O 3.53Å; P77-F93 WeakPolarHBondContact CA-O 3.38Å; P77-Y94 HydrophobicContact CB-CD1 4.33Å; P77-Y94 HydrophobicContact CB-CE1 3.76Å; P77-Y94 HydrophobicContact CG-CE1 4.41Å
78	R	97.7	Very high	96.3	Very high	122 Å²	122	67 Å²	67	46%	0.46	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	157.4	167.5	-67.9	-178.5	173.8	-108.8	4	109.7	N92 F93 H95	R78-N92 CarbonylContact O-C 3.45Å; R78-N92 VanDerWaalsContact O-CA 3.25Å; R78-N92 WeakPolarHBondContact O-CA 3.4Å; R78-F93 HydrophobicContact CB-CD1 3.92Å; R78-F93 HydrophobicContact CB-CD2 4.29Å; R78-F93 HydrophobicContact CB-CE1 3.45Å; R78-F93 VanDerWaalsContact CB-CE1 3.45Å; R78-F93 HydrophobicContact CB-CE2 3.87Å; R78-F93 HydrophobicContact CB-CG 4.32Å; R78-F93 HydrophobicContact CB-CZ 3.4Å; R78-F93 VanDerWaalsContact CB-CZ 3.4Å; R78-F93 HydrophobicContact CG-CZ 4.29Å; R78-F93 PolarHBondContact N-O 3.13Å; R78-F93 VanDerWaalsContact O-CD1 3.3Å; R78-F93 WeakPolarHBondContact O-CD1 3.36Å; R78-F93 PolarHBondContact O-N 3.12Å; R78-H95 VanDerWaalsContact CD-CE1 3.47Å; R78-H95 WeakPolarHBondContact CD-CE1 3.42Å; R78-H95 PolarHBondContact NE-CE1 3.1Å; R78-H95 PolarHBondContact NE-ND1 3.23Å; R78-H95 PolarHBondContact NH2-ND1 2.81Å
79	R	98	Very high	96.4	Very high	165 Å²	165	66 Å²	66	62%	0.623	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.9	127	-175.5	-59.5	-171.8	-60.3	171.5	1.6	111	I81 T89	R79-I81 HydrophobicContact CB-CG2 4.41Å; R79-T89 HydrophobicContact CB-CG2 3.86Å; R79-T89 HydrophobicContact CG-CG2 4.03Å
80	Q	98.5	Very high	96.5	Very high	4 Å²	4	62.5 Å²	62.5	2%	0.019	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	113.5	157.5	-176.1	-172.8	4.6	0	0	107.2	L90 A91 T236 V238	Q80-L90 PolarHBondContact O-N 3.23Å; Q80-A91 HydrophobicContact CB-CB 4.32Å; Q80-A91 PolarHBondContact N-O 2.79Å; Q80-A91 PolarHBondContact O-N 3.49Å; Q80-T236 PolarHBondContact NE2-O 3.2Å; Q80-V238 HydrophobicContact CB-CG1 4.08Å; Q80-V238 HydrophobicContact CG-CG1 4.5Å
81	I	98.2	Very high	96.6	Very high	34 Å²	34	57.8 Å²	57.8	17%	0.174	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	168.7	-179.9	56.4	163.4	0	0	0	111.6	R79 H86 K88 Y425	R79-I81 HydrophobicContact CB-CG2 4.41Å; I81-H86 HydrophobicContact CD1-CB 3.53Å; I81-K88 VanDerWaalsContact CA-O 3.28Å; I81-K88 WeakPolarHBondContact CA-O 3.43Å; I81-K88 WeakPolarHBondContact CB-O 3.39Å; I81-Y425 HydrophobicContact CD1-CE2 3.64Å
82	L	98.5	Very high	96.6	Very high	9 Å²	9	54.8 Å²	54.8	5%	0.047	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	119.6	165.6	-53.5	-178.2	0	0	0	108.6	F84 E85 H86 K88 L90 L148	L82-F84 HydrophobicContact CB-CD1 4.43Å; L82-F84 HydrophobicContact CB-CE1 4.06Å; L82-F84 HydrophobicContact CB-CE2 4.5Å; L82-F84 HydrophobicContact CB-CZ 4.1Å; L82-F84 HydrophobicContact CD1-CE2 4.35Å; L82-F84 HydrophobicContact CD1-CZ 4.04Å; L82-F84 HydrophobicContact CD2-CZ 4.5Å; L82-F84 HydrophobicContact CG-CZ 4.45Å; L82-F84 PolarHBondContact O-N 3.41Å; L82-E85 HydrophobicContact CB-CB 4.4Å; L82-E85 CarbonylContact O-C 3.5Å; L82-E85 PolarHBondContact O-N 2.95Å; L82-E85 VanDerWaalsContact O-N 3.09Å; L82-H86 VanDerWaalsContact O-CA 3.28Å; L82-H86 WeakPolarHBondContact O-CA 3.25Å; L82-H86 PolarHBondContact O-N 3.27Å; L82-K88 HydrophobicContact CD1-CB 3.7Å; L82-K88 HydrophobicContact CD1-CD 3.96Å; L82-K88 HydrophobicContact CD1-CG 4.47Å; L82-K88 HydrophobicContact CG-CB 4.03Å; L82-K88 PolarHBondContact N-O 2.97Å; L82-K88 VanDerWaalsContact N-O 3.1Å; L82-L90 HydrophobicContact CD2-CB 3.81Å; L82-L90 HydrophobicContact CD2-CD1 4.38Å; L82-L90 HydrophobicContact CD2-CD2 4.42Å; L82-L90 HydrophobicContact CD2-CG 4.43Å; L82-L148 HydrophobicContact CD2-CB 3.73Å; L82-L148 HydrophobicContact CD2-CD2 4.37Å; L82-L148 VanDerWaalsContact CD2-O 3.27Å; L82-L148 WeakPolarHBondContact CD2-O 3.33Å
83	P	98.7	Very high	96.7	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.006	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-29.8	-175.6	-22.5	32	0	0	0	114	L148 A151 A388 V389 I390 G424 Y425	P83-L148 WeakPolarHBondContact CD-O 3.34Å; P83-A151 HydrophobicContact CB-CB 3.93Å; P83-A151 HydrophobicContact CG-CB 4Å; P83-A388 VanDerWaalsContact C-CB 3.49Å; P83-A388 HydrophobicContact CB-CB 4.14Å; P83-A388 VanDerWaalsContact O-CB 3.23Å; P83-A388 WeakPolarHBondContact O-CB 3.32Å; P83-V389 WeakPolarHBondContact CB-O 3.33Å; P83-I390 HydrophobicContact CG-CD1 4.14Å; P83-I390 WeakPolarHBondContact CG-O 3.31Å; P83-G424 CarbonylContact O-C 3.56Å; P83-G424 VanDerWaalsContact O-CA 3.26Å; P83-G424 WeakPolarHBondContact O-CA 3.3Å; P83-Y425 PolarHBondContact O-N 2.73Å
84	F	98.5	Very high	96.9	Very high	6 Å²	6	50.8 Å²	50.8	3%	0.026	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-7.3	179.3	60.9	-89.9	0	0	0	113.8	L82 L148 A151 P379 L380 A388 F426	L82-F84 HydrophobicContact CB-CD1 4.43Å; L82-F84 HydrophobicContact CB-CE1 4.06Å; L82-F84 HydrophobicContact CB-CE2 4.5Å; L82-F84 HydrophobicContact CB-CZ 4.1Å; L82-F84 HydrophobicContact CD1-CE2 4.35Å; L82-F84 HydrophobicContact CD1-CZ 4.04Å; L82-F84 HydrophobicContact CD2-CZ 4.5Å; L82-F84 HydrophobicContact CG-CZ 4.45Å; L82-F84 PolarHBondContact O-N 3.41Å; F84-L148 HydrophobicContact CZ-CD2 3.9Å; F84-A151 HydrophobicContact CD1-CB 4.13Å; F84-P379 HydrophobicContact CD1-CG 3.46Å; F84-P379 VanDerWaalsContact CD1-CG 3.46Å; F84-P379 HydrophobicContact CD2-CG 4.44Å; F84-P379 HydrophobicContact CE1-CG 3.41Å; F84-P379 VanDerWaalsContact CE1-CG 3.41Å; F84-P379 HydrophobicContact CE2-CG 4.39Å; F84-P379 HydrophobicContact CG-CG 4Å; F84-P379 HydrophobicContact CZ-CG 3.91Å; F84-L380 HydrophobicContact CE2-CD1 4.25Å; F84-L380 HydrophobicContact CE2-CG 4.43Å; F84-L380 HydrophobicContact CZ-CD1 4.49Å; F84-L380 HydrophobicContact CZ-CG 4.45Å; F84-A388 HydrophobicContact CB-CB 4.05Å; F84-F426 HydrophobicContact CB-CE1 4.14Å; F84-F426 HydrophobicContact CB-CZ 3.75Å
85	E	98	Very high	97.4	Very high	54 Å²	54	50.9 Å²	50.9	25%	0.252	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	72	176.6	-165	178.2	174.5	0	0	109.1	L82 S87 K88 V423	L82-E85 HydrophobicContact CB-CB 4.4Å; L82-E85 CarbonylContact O-C 3.5Å; L82-E85 PolarHBondContact O-N 2.95Å; L82-E85 VanDerWaalsContact O-N 3.09Å; E85-S87 PolarHBondContact O-N 2.91Å; E85-K88 VanDerWaalsContact CD-CD 3.5Å; E85-K88 HydrophobicContact CG-CD 4.24Å; E85-K88 HydrophobicContact CG-CG 4.26Å; E85-K88 PolarHBondContact O-N 3.36Å; E85-K88 WeakPolarHBondContact OE1-CE 3.5Å; E85-K88 IonicContact OE1-NZ 2.73Å; E85-K88 PolarHBondContact OE1-NZ 3.34Å; E85-K88 WeakPolarHBondContact OE2-CD 3.36Å; E85-K88 WeakPolarHBondContact OE2-CE 3.35Å; E85-K88 IonicContact OE2-NZ 3.77Å; E85-K88 PolarHBondContact OE2-NZ 3.39Å; E85-V423 CarbonylContact C-O 3.02Å; E85-V423 WeakPolarHBondContact CA-O 3.41Å; E85-V423 HydrophobicContact CG-CG1 4.31Å
86	H	97.3	Very high	97.8	Very high	53 Å²	53	47.6 Å²	47.6	25%	0.245	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	-9.7	-162.8	60.9	78.7	0	0	0	114.8	I81 L82 K88 D421 V423 Y425	I81-H86 HydrophobicContact CD1-CB 3.53Å; L82-H86 VanDerWaalsContact O-CA 3.28Å; L82-H86 WeakPolarHBondContact O-CA 3.25Å; L82-H86 PolarHBondContact O-N 3.27Å; H86-K88 VanDerWaalsContact C-N 3.3Å; H86-D421 PolarHBondContact NE2-O 2.93Å; H86-V423 PolarHBondContact CD2-O 3.38Å; H86-V423 PolarHBondContact N-O 3.01Å; H86-V423 PolarHBondContact NE2-O 3.24Å; H86-Y425 HydrophobicContact CB-CE2 3.82Å
87	S	97.3	Very high	98	Very high	92 Å²	92	41.5 Å²	41.5	64%	0.643	20%	0.204	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-70.1	-24.3	169.1	65	0	0	0	0	113	E85	E85-S87 PolarHBondContact O-N 2.91Å
88	K	97.8	Very high	98.1	Very high	85 Å²	85	39.5 Å²	39.5	37%	0.37	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	139.7	179.3	-69.9	-174.4	-179.6	154.1	0	112	I81 L82 E85 H86	I81-K88 VanDerWaalsContact CA-O 3.28Å; I81-K88 WeakPolarHBondContact CA-O 3.43Å; I81-K88 WeakPolarHBondContact CB-O 3.39Å; L82-K88 HydrophobicContact CD1-CB 3.7Å; L82-K88 HydrophobicContact CD1-CD 3.96Å; L82-K88 HydrophobicContact CD1-CG 4.47Å; L82-K88 HydrophobicContact CG-CB 4.03Å; L82-K88 PolarHBondContact N-O 2.97Å; L82-K88 VanDerWaalsContact N-O 3.1Å; E85-K88 VanDerWaalsContact CD-CD 3.5Å; E85-K88 HydrophobicContact CG-CD 4.24Å; E85-K88 HydrophobicContact CG-CG 4.26Å; E85-K88 PolarHBondContact O-N 3.36Å; E85-K88 WeakPolarHBondContact OE1-CE 3.5Å; E85-K88 IonicContact OE1-NZ 2.73Å; E85-K88 PolarHBondContact OE1-NZ 3.34Å; E85-K88 WeakPolarHBondContact OE2-CD 3.36Å; E85-K88 WeakPolarHBondContact OE2-CE 3.35Å; E85-K88 IonicContact OE2-NZ 3.77Å; E85-K88 PolarHBondContact OE2-NZ 3.39Å; H86-K88 VanDerWaalsContact C-N 3.3Å
89	T	98.2	Very high	98.1	Very high	32 Å²	32	39.6 Å²	39.6	20%	0.196	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	121	176.8	-57.1	0	0	0	0	109.7	P60 R79 A91	P60-T89 HydrophobicContact CB-CG2 3.81Å; R79-T89 HydrophobicContact CB-CG2 3.86Å; R79-T89 HydrophobicContact CG-CG2 4.03Å; T89-A91 WeakPolarHBondContact CG2-O 3.48Å
90	L	98.5	Very high	98.2	Very high	6 Å²	6	33.3 Å²	33.3	3%	0.031	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	-46.7	173.5	179.2	60.3	0	0	0	111.1	M55 P60 Y61 Q80 L82 L148 G149 Y239	M55-L90 HydrophobicContact CG-CD1 4.22Å; M55-L90 HydrophobicContact SD-CD1 4.37Å; P60-L90 CarbonylContact C-O 3.51Å; P60-L90 WeakPolarHBondContact CA-O 3.32Å; Y61-L90 HydrophobicContact CD2-CD1 4.31Å; Y61-L90 WeakPolarHBondContact CD2-O 3.32Å; Y61-L90 PolarHBondContact N-O 3.04Å; Q80-L90 PolarHBondContact O-N 3.23Å; L82-L90 HydrophobicContact CD2-CB 3.81Å; L82-L90 HydrophobicContact CD2-CD1 4.38Å; L82-L90 HydrophobicContact CD2-CD2 4.42Å; L82-L90 HydrophobicContact CD2-CG 4.43Å; L90-L148 HydrophobicContact CD1-CB 4.15Å; L90-L148 HydrophobicContact CD1-CD1 4.11Å; L90-L148 HydrophobicContact CD2-CB 4.07Å; L90-G149 VanDerWaalsContact CD2-CA 3.42Å; L90-Y239 HydrophobicContact CD1-CD1 4.28Å; L90-Y239 HydrophobicContact CD2-CD1 4.08Å; L90-Y239 HydrophobicContact CG-CD1 4.06Å
91	A	98.6	Very high	98.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	149.1	-176.5	0	0	0	0	0	113	Y61 V63 Q80 T89 Y239	Y61-A91 CarbonylContact O-C 3.51Å; Y61-A91 WeakPolarHBondContact O-CA 3.28Å; V63-A91 HydrophobicContact CG2-CB 4Å; Q80-A91 HydrophobicContact CB-CB 4.32Å; Q80-A91 PolarHBondContact N-O 2.79Å; Q80-A91 PolarHBondContact O-N 3.49Å; T89-A91 WeakPolarHBondContact CG2-O 3.48Å; A91-Y239 HydrophobicContact CB-CD2 4.36Å; A91-Y239 HydrophobicContact CB-CG 4.2Å
92	N	98.5	Very high	98.2	Very high	42 Å²	42	37 Å²	37	23%	0.225	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	130.5	168.1	-69.1	-43.8	0	0	0	109.3	P60 Y61 V63 P77 R78	P60-N92 WeakPolarHBondContact CG-ND2 3.37Å; Y61-N92 PolarHBondContact O-N 3.08Å; V63-N92 PolarHBondContact N-O 3.2Å; P77-N92 HydrophobicContact CB-CB 4.15Å; R78-N92 CarbonylContact O-C 3.45Å; R78-N92 VanDerWaalsContact O-CA 3.25Å; R78-N92 WeakPolarHBondContact O-CA 3.4Å
93	F	98.5	Very high	98.2	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.018	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	166.1	-177.4	72.4	-81.9	0	0	0	112.2	V63 P77 R78 H95 D235 V238 P262	V63-F93 HydrophobicContact CB-CB 3.86Å; V63-F93 HydrophobicContact CG1-CB 4.36Å; V63-F93 VanDerWaalsContact O-CA 3.31Å; V63-F93 WeakPolarHBondContact O-CA 3.29Å; P77-F93 CarbonylContact C-O 3.53Å; P77-F93 WeakPolarHBondContact CA-O 3.38Å; R78-F93 HydrophobicContact CB-CD1 3.92Å; R78-F93 HydrophobicContact CB-CD2 4.29Å; R78-F93 HydrophobicContact CB-CE1 3.45Å; R78-F93 VanDerWaalsContact CB-CE1 3.45Å; R78-F93 HydrophobicContact CB-CE2 3.87Å; R78-F93 HydrophobicContact CB-CG 4.32Å; R78-F93 HydrophobicContact CB-CZ 3.4Å; R78-F93 VanDerWaalsContact CB-CZ 3.4Å; R78-F93 HydrophobicContact CG-CZ 4.29Å; R78-F93 PolarHBondContact N-O 3.13Å; R78-F93 VanDerWaalsContact O-CD1 3.3Å; R78-F93 WeakPolarHBondContact O-CD1 3.36Å; R78-F93 PolarHBondContact O-N 3.12Å; F93-H95 AromaticContact CE2-CD2 3.55Å; F93-H95 AromaticContact CE2-NE2 3.5Å; F93-H95 WeakPolarHBondContact CE2-NE2 3.39Å; F93-D235 HydrophobicContact CE1-CB 4.42Å; F93-D235 HydrophobicContact CE2-CB 4.06Å; F93-D235 HydrophobicContact CZ-CB 3.57Å; F93-D235 VanDerWaalsContact CZ-CG 3.49Å; F93-V238 HydrophobicContact CB-CG1 4.11Å; F93-V238 HydrophobicContact CB-CG2 4.33Å; F93-V238 HydrophobicContact CD1-CG1 3.83Å; F93-V238 HydrophobicContact CD2-CG2 4.4Å; F93-V238 HydrophobicContact CE1-CG1 4.39Å; F93-V238 HydrophobicContact CG-CG1 3.94Å; F93-V238 HydrophobicContact CG-CG2 4.37Å; F93-P262 HydrophobicContact CD2-CB 4.06Å
94	Y	98.4	Very high	98.2	Very high	33 Å²	33	39.6 Å²	39.6	13%	0.129	21%	0.211	C	C	.	.			trans	-124.4	140.3	-176.4	-52.7	-92.3	0	0	0	110.9	H62 I65 S73 S74 P77 P262	H62-Y94 AromaticContact CD2-CE2 3.66Å; H62-Y94 AromaticContact NE2-CE2 3.18Å; H62-Y94 WeakPolarHBondContact NE2-CE2 3.41Å; H62-Y94 AromaticContact NE2-CZ 3.72Å; H62-Y94 PolarHBondContact NE2-OH 3.11Å; I65-Y94 WeakPolarHBondContact CG1-O 3.34Å; S73-Y94 WeakPolarHBondContact OG-CE2 3.4Å; S74-Y94 WeakPolarHBondContact O-CD1 3.34Å; P77-Y94 HydrophobicContact CB-CD1 4.33Å; P77-Y94 HydrophobicContact CB-CE1 3.76Å; P77-Y94 HydrophobicContact CG-CE1 4.41Å; Y94-P262 WeakPolarHBondContact O-CB 3.45Å
95	H	98.2	Very high	98.2	Very high	27 Å²	27	39.3 Å²	39.3	13%	0.125	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-87.2	123.2	173.8	-81.9	-179.4	0	0	0	110.5	S74 R78 F93 S97 D235 P262 D264	S74-H95 PolarHBondContact OG-O 2.96Å; R78-H95 VanDerWaalsContact CD-CE1 3.47Å; R78-H95 WeakPolarHBondContact CD-CE1 3.42Å; R78-H95 PolarHBondContact NE-CE1 3.1Å; R78-H95 PolarHBondContact NE-ND1 3.23Å; R78-H95 PolarHBondContact NH2-ND1 2.81Å; F93-H95 AromaticContact CE2-CD2 3.55Å; F93-H95 AromaticContact CE2-NE2 3.5Å; F93-H95 WeakPolarHBondContact CE2-NE2 3.39Å; H95-S97 PolarHBondContact O-N 3.47Å; H95-D235 IonicContact CE1-OD2 3.13Å; H95-D235 PolarHBondContact CE1-OD2 2.64Å; H95-D235 VanDerWaalsContact CE1-OD2 3.3Å; H95-D235 IonicContact NE2-OD1 2.89Å; H95-D235 PolarHBondContact NE2-OD1 2.95Å; H95-D235 VanDerWaalsContact NE2-OD1 3.13Å; H95-D235 IonicContact NE2-OD2 3.64Å; H95-D235 PolarHBondContact NE2-OD2 3.03Å; H95-P262 CarbonylContact C-O 3.55Å; H95-P262 WeakPolarHBondContact CA-O 3.17Å; H95-D264 PolarHBondContact ND1-N 3.1Å
96	A	98.3	Very high	98.2	Very high	4 Å²	4	41.3 Å²	41.3	3%	0.033	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-60.3	134.3	175.1	0	0	0	0	0	111.4	I65 Q100 I101 V261 P262 A263	I65-A96 HydrophobicContact CD1-CB 3.89Å; I65-A96 HydrophobicContact CG1-CB 4.12Å; I65-A96 HydrophobicContact CG2-CB 4.08Å; A96-Q100 VanDerWaalsContact CA-OE1 3.3Å; A96-Q100 HydrophobicContact CB-CB 3.98Å; A96-I101 HydrophobicContact CB-CG1 3.94Å; A96-V261 HydrophobicContact CB-CG1 3.4Å; A96-V261 VanDerWaalsContact CB-CG1 3.4Å; A96-P262 PolarHBondContact N-O 3.45Å; A96-A263 HydrophobicContact CB-CB 4.31Å
97	S	97.6	Very high	98.3	Very high	41 Å²	41	39 Å²	39	29%	0.287	21%	0.209	S	C	.	.	P	Polyproline II helix	trans	-68.7	166.8	170.7	85.5	0	0	0	0	111.1	H95 E99 Q100 I101	H95-S97 PolarHBondContact O-N 3.47Å; S97-E99 WeakPolarHBondContact CB-OE2 3.47Å; S97-E99 PolarHBondContact O-N 2.98Å; S97-E99 PolarHBondContact OG-N 2.95Å; S97-E99 PolarHBondContact OG-OE2 2.89Å; S97-Q100 PolarHBondContact O-N 2.95Å; S97-Q100 VanDerWaalsContact O-N 3.12Å; S97-Q100 PolarHBondContact OG-N 2.97Å; S97-I101 WeakPolarHBondContact O-CD1 3.4Å; S97-I101 WeakPolarHBondContact O-CG1 2.94Å; S97-I101 PolarHBondContact O-N 2.92Å
98	G	97.6	Very high	98.4	Very high	16 Å²	16	34.6 Å²	34.6	17%	0.165	18%	0.178	C	C	.	.	H	α-helix	trans	-57.2	-35.5	174.6	0	0	0	0	0	112.8	K102	G98-K102 VanDerWaalsContact O-CG 3.32Å; G98-K102 WeakPolarHBondContact O-CG 3.17Å; G98-K102 PolarHBondContact O-N 2.92Å; G98-K102 VanDerWaalsContact O-N 3.07Å
99	E	98	Very high	98.4	Very high	124 Å²	124	32 Å²	32	58%	0.579	17%	0.168	S	C	*	.	H	α-helix	trans	-66.9	-45.2	175.2	-60.3	67.9	-144.9	0	0	111.3	S97 I101 K102 S103	S97-E99 WeakPolarHBondContact CB-OE2 3.47Å; S97-E99 PolarHBondContact O-N 2.98Å; S97-E99 PolarHBondContact OG-N 2.95Å; S97-E99 PolarHBondContact OG-OE2 2.89Å; E99-I101 VanDerWaalsContact C-N 3.33Å; E99-I101 PolarHBondContact O-N 3.18Å; E99-K102 WeakPolarHBondContact O-CB 3.49Å; E99-K102 PolarHBondContact O-N 3.27Å; E99-S103 PolarHBondContact O-N 3.29Å; E99-S103 PolarHBondContact O-OG 3.04Å
100	Q	98.3	Very high	98.4	Very high	32 Å²	32	35.4 Å²	35.4	15%	0.15	18%	0.184	C	C	.	.	H	α-helix	trans	-64.7	-37.5	177.6	-70.7	173.6	-43.8	0	0	111.7	I67 A96 S97 S103 A104	I67-Q100 HydrophobicContact CD1-CB 4.25Å; I67-Q100 WeakPolarHBondContact CD1-O 3.43Å; A96-Q100 VanDerWaalsContact CA-OE1 3.3Å; A96-Q100 HydrophobicContact CB-CB 3.98Å; S97-Q100 PolarHBondContact O-N 2.95Å; S97-Q100 VanDerWaalsContact O-N 3.12Å; S97-Q100 PolarHBondContact OG-N 2.97Å; Q100-S103 PolarHBondContact O-N 2.61Å; Q100-A104 PolarHBondContact O-N 3.37Å
101	I	98.7	Very high	98.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-63.7	-42	173.9	-62.9	156.8	0	0	0	110.5	A96 S97 E99 A104 I105 I230 V261 A263 T267 F268 V271 I272	A96-I101 HydrophobicContact CB-CG1 3.94Å; S97-I101 WeakPolarHBondContact O-CD1 3.4Å; S97-I101 WeakPolarHBondContact O-CG1 2.94Å; S97-I101 PolarHBondContact O-N 2.92Å; E99-I101 VanDerWaalsContact C-N 3.33Å; E99-I101 PolarHBondContact O-N 3.18Å; I101-A104 WeakPolarHBondContact O-CB 3.45Å; I101-A104 PolarHBondContact O-N 3.42Å; I101-I105 HydrophobicContact CG2-CD1 4.39Å; I101-I105 WeakPolarHBondContact O-CG1 3.45Å; I101-I105 PolarHBondContact O-N 2.8Å; I101-I230 HydrophobicContact CG2-CD1 3.85Å; I101-V261 HydrophobicContact CG1-CG1 4.06Å; I101-A263 HydrophobicContact CD1-CB 4.18Å; I101-T267 HydrophobicContact CD1-CG2 4.11Å; I101-F268 HydrophobicContact CD1-CB 4.44Å; I101-F268 HydrophobicContact CD1-CD2 4.24Å; I101-F268 HydrophobicContact CG1-CD2 4.26Å; I101-F268 HydrophobicContact CG2-CD2 4.29Å; I101-F268 HydrophobicContact CG2-CE2 4.47Å; I101-V271 HydrophobicContact CB-CB 4.36Å; I101-V271 HydrophobicContact CB-CG1 3.96Å; I101-V271 HydrophobicContact CD1-CG2 4.49Å; I101-V271 HydrophobicContact CG2-CB 3.84Å; I101-V271 HydrophobicContact CG2-CG1 3.48Å; I101-V271 VanDerWaalsContact CG2-CG1 3.48Å; I101-I272 HydrophobicContact CG2-CG2 4.32Å
102	K	98.6	Very high	98.4	Very high	115 Å²	115	37.2 Å²	37.2	50%	0.5	19%	0.192	S	C	.	.	H	α-helix	trans	-61.2	-44.6	173.4	-70.9	169.7	-176.1	175.8	0	111.6	G98 E99 A104 I105 E106 V271	G98-K102 VanDerWaalsContact O-CG 3.32Å; G98-K102 WeakPolarHBondContact O-CG 3.17Å; G98-K102 PolarHBondContact O-N 2.92Å; G98-K102 VanDerWaalsContact O-N 3.07Å; E99-K102 WeakPolarHBondContact O-CB 3.49Å; E99-K102 PolarHBondContact O-N 3.27Å; K102-A104 VanDerWaalsContact C-N 3.29Å; K102-A104 PolarHBondContact O-N 2.81Å; K102-I105 WeakPolarHBondContact O-CB 3.22Å; K102-I105 PolarHBondContact O-N 3.5Å; K102-I105 VanDerWaalsContact O-N 3.13Å; K102-E106 PolarHBondContact O-N 2.96Å; K102-V271 HydrophobicContact CG-CG1 3.8Å
103	S	98.4	Very high	98.4	Very high	65 Å²	65	41.5 Å²	41.5	46%	0.455	21%	0.209	S	C	.	.	H	α-helix	trans	-60.2	-38.3	175.1	-61.7	0	0	0	0	112.5	E99 Q100 I105 E106 S107	E99-S103 PolarHBondContact O-N 3.29Å; E99-S103 PolarHBondContact O-OG 3.04Å; Q100-S103 PolarHBondContact O-N 2.61Å; S103-I105 VanDerWaalsContact C-N 3.34Å; S103-E106 PolarHBondContact O-N 3.44Å; S103-S107 WeakPolarHBondContact O-CB 3.26Å; S103-S107 PolarHBondContact O-N 2.8Å
104	A	98.7	Very high	98.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64.8	-37.3	174.7	0	0	0	0	0	112.5	I67 Q100 I101 K102 C108 I230 N259 V261	I67-A104 HydrophobicContact CD1-CB 3.95Å; I67-A104 HydrophobicContact CG1-CB 3.94Å; I67-A104 HydrophobicContact CG2-CB 4.42Å; Q100-A104 PolarHBondContact O-N 3.37Å; I101-A104 WeakPolarHBondContact O-CB 3.45Å; I101-A104 PolarHBondContact O-N 3.42Å; K102-A104 VanDerWaalsContact C-N 3.29Å; K102-A104 PolarHBondContact O-N 2.81Å; A104-C108 WeakPolarHBondContact O-CB 3.33Å; A104-C108 PolarHBondContact O-N 3.5Å; A104-C108 PolarHBondContact O-SG 2.92Å; A104-C108 VanDerWaalsContact O-SG 3.41Å; A104-I230 HydrophobicContact CB-CD1 3.7Å; A104-I230 HydrophobicContact CB-CG1 4.26Å; A104-N259 HydrophobicContact CB-CB 4.23Å; A104-N259 PolarHBondContact O-ND2 2.86Å; A104-V261 HydrophobicContact CB-CG2 3.85Å
105	I	98.8	Very high	98.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.9	-48.1	173.5	-67.8	165.3	0	0	0	110.3	I101 K102 S103 S107 C108 L109 F202 V271 I272 H275	I101-I105 HydrophobicContact CG2-CD1 4.39Å; I101-I105 WeakPolarHBondContact O-CG1 3.45Å; I101-I105 PolarHBondContact O-N 2.8Å; K102-I105 WeakPolarHBondContact O-CB 3.22Å; K102-I105 PolarHBondContact O-N 3.5Å; K102-I105 VanDerWaalsContact O-N 3.13Å; S103-I105 VanDerWaalsContact C-N 3.34Å; I105-S107 PolarHBondContact O-N 3.41Å; I105-C108 WeakPolarHBondContact O-CB 3.4Å; I105-C108 PolarHBondContact O-N 2.89Å; I105-C108 VanDerWaalsContact O-N 3.16Å; I105-L109 HydrophobicContact CG2-CD1 3.99Å; I105-L109 HydrophobicContact CG2-CG 4.34Å; I105-L109 WeakPolarHBondContact O-CG 3.43Å; I105-L109 PolarHBondContact O-N 2.87Å; I105-F202 HydrophobicContact CB-CD1 4.49Å; I105-F202 HydrophobicContact CB-CE1 4.41Å; I105-F202 HydrophobicContact CD1-CE1 4.06Å; I105-F202 HydrophobicContact CD1-CE2 4.18Å; I105-F202 HydrophobicContact CD1-CZ 3.67Å; I105-F202 HydrophobicContact CG1-CD1 4.36Å; I105-F202 HydrophobicContact CG1-CD2 4.31Å; I105-F202 HydrophobicContact CG1-CE1 4.01Å; I105-F202 HydrophobicContact CG1-CE2 3.95Å; I105-F202 HydrophobicContact CG1-CZ 3.8Å; I105-F202 HydrophobicContact CG2-CD1 3.53Å; I105-F202 HydrophobicContact CG2-CE1 3.53Å; I105-F202 HydrophobicContact CG2-CG 4.23Å; I105-F202 HydrophobicContact CG2-CZ 4.21Å; I105-V271 HydrophobicContact CD1-CG1 4.17Å; I105-I272 HydrophobicContact CD1-CG2 4.49Å; I105-H275 HydrophobicContact CD1-CB 4.31Å
106	E	98.6	Very high	98.3	Very high	97 Å²	97	44.7 Å²	44.7	45%	0.453	24%	0.235	S	C	.	.	H	α-helix	trans	-61.4	-43.4	178.7	-66.9	-52.4	140.8	0	0	112.3	K102 S103 C108 L109 I110 H275	K102-E106 PolarHBondContact O-N 2.96Å; S103-E106 PolarHBondContact O-N 3.44Å; E106-C108 VanDerWaalsContact C-N 3.35Å; E106-C108 PolarHBondContact O-N 3.18Å; E106-L109 PolarHBondContact O-N 2.86Å; E106-L109 VanDerWaalsContact O-N 3.15Å; E106-I110 WeakPolarHBondContact O-CG1 3.47Å; E106-I110 PolarHBondContact O-N 3.29Å; E106-H275 IonicContact OE1-NE2 3.75Å
107	S	98.6	Very high	98.2	Very high	3 Å²	3	53.5 Å²	53.5	2%	0.021	27%	0.268	C	S	.	.	H	α-helix	trans	-54.2	-49.3	171.6	154.2	0	0	0	0	111.6	D68 S103 I105 L109 I110 A111 G256 N259	D68-S107 WeakPolarHBondContact OD1-CB 3.32Å; D68-S107 PolarHBondContact OD1-OG 2.85Å; D68-S107 WeakPolarHBondContact OD2-CB 3.48Å; D68-S107 PolarHBondContact OD2-OG 3.03Å; S103-S107 WeakPolarHBondContact O-CB 3.26Å; S103-S107 PolarHBondContact O-N 2.8Å; I105-S107 PolarHBondContact O-N 3.41Å; S107-L109 PolarHBondContact O-N 2.88Å; S107-I110 PolarHBondContact O-N 3.49Å; S107-A111 PolarHBondContact O-N 3.25Å; S107-G256 WeakPolarHBondContact OG-CA 3.44Å; S107-N259 PolarHBondContact OG-ND2 3.37Å; S107-N259 PolarHBondContact OG-OD1 3.48Å
108	C	98.5	Very high	98.2	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-57.6	-46.9	174.7	-79.2	0	0	0	0	111.7	A104 I105 E106 I110 A111 R112 F202 V228 V229 G256 N259	A104-C108 WeakPolarHBondContact O-CB 3.33Å; A104-C108 PolarHBondContact O-N 3.5Å; A104-C108 PolarHBondContact O-SG 2.92Å; A104-C108 VanDerWaalsContact O-SG 3.41Å; I105-C108 WeakPolarHBondContact O-CB 3.4Å; I105-C108 PolarHBondContact O-N 2.89Å; I105-C108 VanDerWaalsContact O-N 3.16Å; E106-C108 VanDerWaalsContact C-N 3.35Å; E106-C108 PolarHBondContact O-N 3.18Å; C108-I110 VanDerWaalsContact C-N 3.28Å; C108-I110 PolarHBondContact O-N 2.9Å; C108-A111 PolarHBondContact O-N 3.22Å; C108-R112 WeakPolarHBondContact O-CB 3.43Å; C108-R112 PolarHBondContact O-N 3.5Å; C108-F202 HydrophobicContact CB-CB 4.22Å; C108-V228 HydrophobicContact CB-CB 3.86Å; C108-V228 HydrophobicContact CB-CG2 3.67Å; C108-V228 WeakPolarHBondContact O-CG1 3.25Å; C108-V228 WeakPolarHBondContact O-CG2 3.44Å; C108-V229 PolarHBondContact SG-O 3.5Å; C108-G256 WeakPolarHBondContact CA-O 3.44Å; C108-G256 PolarHBondContact SG-O 3.25Å; C108-N259 PolarHBondContact SG-ND2 2.98Å
109	L	98.7	Very high	98.1	Very high	31 Å²	31	55.1 Å²	55.1	16%	0.162	28%	0.275	C	S	.	.	H	α-helix	trans	-65.5	-30.5	-179.1	-65.6	175.8	0	0	0	112.8	I105 E106 S107 Q277	I105-L109 HydrophobicContact CG2-CD1 3.99Å; I105-L109 HydrophobicContact CG2-CG 4.34Å; I105-L109 WeakPolarHBondContact O-CG 3.43Å; I105-L109 PolarHBondContact O-N 2.87Å; E106-L109 PolarHBondContact O-N 2.86Å; E106-L109 VanDerWaalsContact O-N 3.15Å; S107-L109 PolarHBondContact O-N 2.88Å; L109-Q277 HydrophobicContact CD1-CB 4.13Å; L109-Q277 HydrophobicContact CD1-CG 4.05Å; L109-Q277 HydrophobicContact CD2-CB 4.06Å; L109-Q277 HydrophobicContact CD2-CG 4.42Å
110	I	98.6	Very high	98	Very high	104 Å²	104	50 Å²	50	53%	0.533	25%	0.251	S	S	.	.	H	α-helix	trans	-68.2	-54.3	170.8	-67.8	164.8	0	0	0	110.1	E106 S107 C108 R112 K113	E106-I110 WeakPolarHBondContact O-CG1 3.47Å; E106-I110 PolarHBondContact O-N 3.29Å; S107-I110 PolarHBondContact O-N 3.49Å; C108-I110 VanDerWaalsContact C-N 3.28Å; C108-I110 PolarHBondContact O-N 2.9Å; I110-R112 PolarHBondContact O-N 3.16Å; I110-K113 WeakPolarHBondContact O-CB 3.36Å; I110-K113 PolarHBondContact O-N 3.16Å; I110-K113 VanDerWaalsContact O-N 3.08Å
111	A	98.6	Very high	97.9	Very high	9 Å²	9	49.8 Å²	49.8	7%	0.074	25%	0.25	C	S	.	.	H	α-helix	trans	-60.2	-31.5	-179.8	0	0	0	0	0	112.5	S107 C108 K113 T114 W115 V228 P255 V257	S107-A111 PolarHBondContact O-N 3.25Å; C108-A111 PolarHBondContact O-N 3.22Å; A111-K113 PolarHBondContact O-N 3.41Å; A111-T114 PolarHBondContact O-N 2.86Å; A111-T114 VanDerWaalsContact O-N 3.1Å; A111-T114 PolarHBondContact O-OG1 2.78Å; A111-T114 VanDerWaalsContact O-OG1 3.1Å; A111-W115 WeakPolarHBondContact O-CB 3.41Å; A111-W115 PolarHBondContact O-N 3.29Å; A111-V228 HydrophobicContact CB-CG1 4.36Å; A111-P255 WeakPolarHBondContact CB-O 3.46Å; A111-V257 HydrophobicContact CB-CG2 4.26Å
112	R	98.2	Very high	97.8	Very high	34 Å²	34	54.7 Å²	54.7	13%	0.128	27%	0.273	C	S	.	.	H	α-helix	trans	-55	-37.8	176.1	175.1	172	172.3	66	1.6	111.9	C108 I110 T114 S116 A198 N199 G201 V228	C108-R112 WeakPolarHBondContact O-CB 3.43Å; C108-R112 PolarHBondContact O-N 3.5Å; I110-R112 PolarHBondContact O-N 3.16Å; R112-T114 PolarHBondContact O-N 3.5Å; R112-T114 VanDerWaalsContact O-N 3.11Å; R112-S116 WeakPolarHBondContact O-CB 3.45Å; R112-S116 PolarHBondContact O-N 3.09Å; R112-S116 VanDerWaalsContact O-N 3.13Å; R112-S116 PolarHBondContact O-OG 2.93Å; R112-S116 VanDerWaalsContact O-OG 3.12Å; R112-A198 PolarHBondContact NH2-O 3.17Å; R112-N199 PolarHBondContact NH1-O 2.92Å; R112-N199 VanDerWaalsContact NH2-C 3.34Å; R112-N199 PolarHBondContact NH2-O 3.39Å; R112-G201 VanDerWaalsContact CD-O 3.29Å; R112-G201 WeakPolarHBondContact CD-O 3.28Å; R112-V228 HydrophobicContact CB-CB 4.5Å; R112-V228 HydrophobicContact CB-CG1 3.8Å; R112-V228 HydrophobicContact CB-CG2 3.88Å
113	K	97.8	Very high	97.8	Very high	133 Å²	133	50.3 Å²	50.3	58%	0.578	25%	0.254	S	S	*	.	H	α-helix	trans	-58.5	-26.2	-177.8	-64.1	175.5	-177.2	172.9	0	111.9	I110 A111 R117	I110-K113 WeakPolarHBondContact O-CB 3.36Å; I110-K113 PolarHBondContact O-N 3.16Å; I110-K113 VanDerWaalsContact O-N 3.08Å; A111-K113 PolarHBondContact O-N 3.41Å; K113-R117 WeakPolarHBondContact O-CD 3.26Å; K113-R117 PolarHBondContact O-NH1 3.46Å
114	T	97.9	Very high	97.8	Very high	93 Å²	93	47.2 Å²	47.2	57%	0.571	23%	0.232	S	C	*	.	H	α-helix	trans	-104.5	-47.2	176.4	52.2	0	0	0	0	110.9	A111 R112 S116 R117 T118	A111-T114 PolarHBondContact O-N 2.86Å; A111-T114 VanDerWaalsContact O-N 3.1Å; A111-T114 PolarHBondContact O-OG1 2.78Å; A111-T114 VanDerWaalsContact O-OG1 3.1Å; R112-T114 PolarHBondContact O-N 3.5Å; R112-T114 VanDerWaalsContact O-N 3.11Å; T114-S116 VanDerWaalsContact C-N 3.34Å; T114-S116 PolarHBondContact O-N 2.93Å; T114-R117 CarbonylContact O-C 3.59Å; T114-R117 WeakPolarHBondContact O-CA 3.31Å; T114-R117 WeakPolarHBondContact O-CB 3.33Å; T114-R117 PolarHBondContact O-N 2.78Å; T114-T118 PolarHBondContact O-N 2.9Å; T114-T118 PolarHBondContact O-OG1 2.83Å
115	W	98.5	Very high	97.7	Very high	5 Å²	5	51.5 Å²	51.5	2%	0.019	25%	0.251	C	S	.	.	H	α-helix	trans	-61.9	-36.3	-173	-174	-114.4	0	0	0	114.6	A111 R117 T118 R123 V126 F127 A223 N227 L253 P254 V257	A111-W115 WeakPolarHBondContact O-CB 3.41Å; A111-W115 PolarHBondContact O-N 3.29Å; W115-R117 PolarHBondContact O-N 2.94Å; W115-T118 HydrophobicContact CE3-CG2 4.35Å; W115-T118 HydrophobicContact CZ3-CG2 4.27Å; W115-T118 WeakPolarHBondContact O-CB 3.38Å; W115-T118 PolarHBondContact O-N 3.32Å; W115-R123 HydrophobicContact CD2-CG 4.26Å; W115-R123 HydrophobicContact CE3-CG 4.22Å; W115-R123 HydrophobicContact CH2-CB 3.88Å; W115-R123 HydrophobicContact CH2-CG 3.5Å; W115-R123 VanDerWaalsContact CH2-CG 3.5Å; W115-R123 HydrophobicContact CZ2-CB 3.9Å; W115-R123 HydrophobicContact CZ2-CG 3.49Å; W115-R123 VanDerWaalsContact CZ2-CG 3.49Å; W115-R123 HydrophobicContact CZ3-CG 3.86Å; W115-R123 PolarHBondContact O-NH1 3.4Å; W115-V126 HydrophobicContact CH2-CG2 4.32Å; W115-F127 HydrophobicContact CZ2-CE2 4.12Å; W115-A223 PolarHBondContact NE1-O 2.91Å; W115-N227 PolarHBondContact NE1-O 3.32Å; W115-L253 HydrophobicContact CH2-CD1 4.24Å; W115-L253 HydrophobicContact CZ2-CD1 4.16Å; W115-P254 HydrophobicContact CE3-CG 3.88Å; W115-P254 HydrophobicContact CZ3-CG 3.87Å; W115-V257 HydrophobicContact CB-CG2 3.77Å; W115-V257 HydrophobicContact CD2-CB 4.46Å; W115-V257 HydrophobicContact CD2-CG1 3.82Å; W115-V257 HydrophobicContact CD2-CG2 3.74Å; W115-V257 HydrophobicContact CE3-CG2 4.1Å; W115-V257 HydrophobicContact CG-CB 4.39Å; W115-V257 HydrophobicContact CG-CG1 3.82Å; W115-V257 HydrophobicContact CG-CG2 3.61Å; W115-V257 HydrophobicContact CZ2-CG1 4.07Å
116	S	97.5	Very high	97.7	Very high	33 Å²	33	52.2 Å²	52.2	23%	0.231	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-12.7	177.6	82.2	0	0	0	0	113.2	R112 T114 G226	R112-S116 WeakPolarHBondContact O-CB 3.45Å; R112-S116 PolarHBondContact O-N 3.09Å; R112-S116 VanDerWaalsContact O-N 3.13Å; R112-S116 PolarHBondContact O-OG 2.93Å; R112-S116 VanDerWaalsContact O-OG 3.12Å; T114-S116 VanDerWaalsContact C-N 3.34Å; T114-S116 PolarHBondContact O-N 2.93Å; S116-G226 WeakPolarHBondContact CA-O 3.24Å
117	R	96.4	Very high	97.7	Very high	189 Å²	189	47.7 Å²	47.7	71%	0.713	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.4	-15.9	-178.5	-67.9	163.8	-177.9	132.2	-2.1	112.5	K113 T114 W115	K113-R117 WeakPolarHBondContact O-CD 3.26Å; K113-R117 PolarHBondContact O-NH1 3.46Å; T114-R117 CarbonylContact O-C 3.59Å; T114-R117 WeakPolarHBondContact O-CA 3.31Å; T114-R117 WeakPolarHBondContact O-CB 3.33Å; T114-R117 PolarHBondContact O-N 2.78Å; W115-R117 PolarHBondContact O-N 2.94Å
118	T	97.5	Very high	97.7	Very high	38 Å²	38	48 Å²	48	23%	0.233	24%	0.235	C	C	.	.	S	Bend	trans	-52.6	142	166.5	-57.1	0	0	0	0	109.8	T114 W115 E122 R123	T114-T118 PolarHBondContact O-N 2.9Å; T114-T118 PolarHBondContact O-OG1 2.83Å; W115-T118 HydrophobicContact CE3-CG2 4.35Å; W115-T118 HydrophobicContact CZ3-CG2 4.27Å; W115-T118 WeakPolarHBondContact O-CB 3.38Å; W115-T118 PolarHBondContact O-N 3.32Å; T118-E122 HydrophobicContact CG2-CB 3.5Å; T118-E122 HydrophobicContact CG2-CG 4.47Å; T118-R123 HydrophobicContact CG2-CG 3.84Å; T118-R123 PolarHBondContact O-NH1 3.34Å
119	S	95.9	Very high	97.7	Very high	52 Å²	52	52.1 Å²	52.1	36%	0.364	25%	0.253	S	S	.	.			trans	-67.3	155.2	-179.5	66.5	0	0	0	0	111.4	D121 E122 R123	S119-D121 VanDerWaalsContact C-N 3.26Å; S119-D121 PolarHBondContact O-N 3.41Å; S119-E122 WeakPolarHBondContact CB-OE2 3.47Å; S119-E122 PolarHBondContact N-OE2 3.08Å; S119-E122 PolarHBondContact O-N 2.88Å; S119-E122 WeakPolarHBondContact OG-CB 3.4Å; S119-E122 VanDerWaalsContact OG-CD 3.29Å; S119-E122 WeakPolarHBondContact OG-CG 3.16Å; S119-E122 PolarHBondContact OG-N 2.97Å; S119-E122 PolarHBondContact OG-OE2 3.25Å; S119-R123 PolarHBondContact O-N 3.47Å; S119-R123 VanDerWaalsContact O-N 3.09Å
120	F	95.4	Very high	97.7	Very high	18 Å²	18	50.7 Å²	50.7	8%	0.079	25%	0.245	C	C	.	.	H	α-helix	trans	-55.9	-44.1	173.7	169.3	-105.2	0	0	0	111.4	E122 R123 A124 V173 A176 L180 L224	F120-E122 VanDerWaalsContact C-N 3.32Å; F120-E122 PolarHBondContact O-N 3.32Å; F120-R123 PolarHBondContact O-N 2.84Å; F120-A124 HydrophobicContact CE1-CB 4.42Å; F120-A124 HydrophobicContact CE2-CB 4.45Å; F120-A124 HydrophobicContact CZ-CB 4.24Å; F120-A124 VanDerWaalsContact O-CB 3.29Å; F120-A124 WeakPolarHBondContact O-CB 3.37Å; F120-A124 PolarHBondContact O-N 3Å; F120-V173 HydrophobicContact CZ-CG1 4.29Å; F120-V173 WeakPolarHBondContact CZ-O 3.24Å; F120-A176 HydrophobicContact CE2-CB 3.53Å; F120-A176 HydrophobicContact CZ-CB 3.94Å; F120-L180 HydrophobicContact CB-CD1 3.99Å; F120-L180 HydrophobicContact CD1-CD1 4.01Å; F120-L180 HydrophobicContact CD2-CD1 3.66Å; F120-L180 HydrophobicContact CE1-CD1 4.45Å; F120-L180 HydrophobicContact CE2-CD1 4.15Å; F120-L180 HydrophobicContact CG-CD1 3.58Å; F120-L224 HydrophobicContact CE2-CD1 4.06Å; F120-L224 HydrophobicContact CE2-CG 4.47Å
121	D	95.3	Very high	97.7	Very high	27 Å²	27	45.7 Å²	45.7	14%	0.144	22%	0.22	C	C	.	.	H	α-helix	trans	-58.6	-41.3	179.3	-73.6	-2.6	0	0	0	112.2	S119 K125	S119-D121 VanDerWaalsContact C-N 3.26Å; S119-D121 PolarHBondContact O-N 3.41Å; D121-K125 VanDerWaalsContact O-CG 3.26Å; D121-K125 WeakPolarHBondContact O-CG 3.37Å; D121-K125 PolarHBondContact O-N 2.92Å
122	E	97.6	Very high	97.7	Very high	103 Å²	103	47.3 Å²	47.3	48%	0.481	23%	0.227	S	C	.	.	H	α-helix	trans	-68.4	-41.3	176.9	-74.1	167.2	130	0	0	112.4	T118 S119 F120 K125 V126	T118-E122 HydrophobicContact CG2-CB 3.5Å; T118-E122 HydrophobicContact CG2-CG 4.47Å; S119-E122 WeakPolarHBondContact CB-OE2 3.47Å; S119-E122 PolarHBondContact N-OE2 3.08Å; S119-E122 PolarHBondContact O-N 2.88Å; S119-E122 WeakPolarHBondContact OG-CB 3.4Å; S119-E122 VanDerWaalsContact OG-CD 3.29Å; S119-E122 WeakPolarHBondContact OG-CG 3.16Å; S119-E122 PolarHBondContact OG-N 2.97Å; S119-E122 PolarHBondContact OG-OE2 3.25Å; F120-E122 VanDerWaalsContact C-N 3.32Å; F120-E122 PolarHBondContact O-N 3.32Å; E122-K125 PolarHBondContact O-N 3.05Å; E122-V126 PolarHBondContact O-N 2.94Å
123	R	98.1	Very high	97.7	Very high	23 Å²	23	46.6 Å²	46.6	9%	0.087	23%	0.226	C	C	.	.	H	α-helix	trans	-64.9	-43.2	174.8	-63.9	-160.1	-65.6	-85.9	-12.2	111.5	W115 T118 S119 F120 K125 V126 F127 L224	W115-R123 HydrophobicContact CD2-CG 4.26Å; W115-R123 HydrophobicContact CE3-CG 4.22Å; W115-R123 HydrophobicContact CH2-CB 3.88Å; W115-R123 HydrophobicContact CH2-CG 3.5Å; W115-R123 VanDerWaalsContact CH2-CG 3.5Å; W115-R123 HydrophobicContact CZ2-CB 3.9Å; W115-R123 HydrophobicContact CZ2-CG 3.49Å; W115-R123 VanDerWaalsContact CZ2-CG 3.49Å; W115-R123 HydrophobicContact CZ3-CG 3.86Å; W115-R123 PolarHBondContact O-NH1 3.4Å; T118-R123 HydrophobicContact CG2-CG 3.84Å; T118-R123 PolarHBondContact O-NH1 3.34Å; S119-R123 PolarHBondContact O-N 3.47Å; S119-R123 VanDerWaalsContact O-N 3.09Å; F120-R123 PolarHBondContact O-N 2.84Å; R123-K125 VanDerWaalsContact C-N 3.32Å; R123-K125 PolarHBondContact O-N 2.66Å; R123-V126 WeakPolarHBondContact O-CB 3.46Å; R123-V126 PolarHBondContact O-N 3.3Å; R123-V126 VanDerWaalsContact O-N 3.16Å; R123-F127 VanDerWaalsContact O-CD2 3.26Å; R123-F127 WeakPolarHBondContact O-CD2 3.5Å; R123-F127 PolarHBondContact O-N 3.18Å; R123-L224 PolarHBondContact NE-O 3.39Å
124	A	97.8	Very high	97.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.8	-41.1	177.3	0	0	0	0	0	111.8	L23 F120 V126 F127 L128 V173 L224	L23-A124 HydrophobicContact CD1-CB 3.54Å; F120-A124 HydrophobicContact CE1-CB 4.42Å; F120-A124 HydrophobicContact CE2-CB 4.45Å; F120-A124 HydrophobicContact CZ-CB 4.24Å; F120-A124 VanDerWaalsContact O-CB 3.29Å; F120-A124 WeakPolarHBondContact O-CB 3.37Å; F120-A124 PolarHBondContact O-N 3Å; A124-V126 VanDerWaalsContact C-N 3.26Å; A124-V126 PolarHBondContact O-N 2.88Å; A124-F127 PolarHBondContact O-N 3.3Å; A124-L128 WeakPolarHBondContact O-CB 3.34Å; A124-L128 VanDerWaalsContact O-CG 3.31Å; A124-L128 WeakPolarHBondContact O-CG 3.36Å; A124-L128 PolarHBondContact O-N 2.86Å; A124-V173 HydrophobicContact CB-CG1 3.73Å; A124-V173 HydrophobicContact CB-CG2 4.08Å; A124-L224 HydrophobicContact CB-CD1 4.42Å
125	K	98	Very high	97.8	Very high	90 Å²	90	36.9 Å²	36.9	39%	0.391	18%	0.179	S	C	.	.	H	α-helix	trans	-55.4	-39.1	174.8	-77.1	172.4	-173.9	-175.9	0	113	Y20 D121 E122 R123 K129	Y20-K125 HydrophobicContact CD1-CB 4.41Å; Y20-K125 HydrophobicContact CD1-CG 3.82Å; Y20-K125 HydrophobicContact CG-CG 4.24Å; D121-K125 VanDerWaalsContact O-CG 3.26Å; D121-K125 WeakPolarHBondContact O-CG 3.37Å; D121-K125 PolarHBondContact O-N 2.92Å; E122-K125 PolarHBondContact O-N 3.05Å; R123-K125 VanDerWaalsContact C-N 3.32Å; R123-K125 PolarHBondContact O-N 2.66Å; K125-K129 VanDerWaalsContact O-CB 3.27Å; K125-K129 WeakPolarHBondContact O-CB 3.39Å; K125-K129 PolarHBondContact O-N 3.45Å
126	V	98.7	Very high	97.7	Very high	15 Å²	15	40.9 Å²	40.9	9%	0.091	20%	0.2	C	C	.	.	H	α-helix	trans	-62.5	-50.8	177	176	0	0	0	0	110.6	W115 E122 R123 A124 K129 A130 A251 L253	W115-V126 HydrophobicContact CH2-CG2 4.32Å; E122-V126 PolarHBondContact O-N 2.94Å; R123-V126 WeakPolarHBondContact O-CB 3.46Å; R123-V126 PolarHBondContact O-N 3.3Å; R123-V126 VanDerWaalsContact O-N 3.16Å; A124-V126 VanDerWaalsContact C-N 3.26Å; A124-V126 PolarHBondContact O-N 2.88Å; V126-K129 PolarHBondContact O-N 2.89Å; V126-A130 PolarHBondContact O-N 3.13Å; V126-A251 HydrophobicContact CG1-CB 4.24Å; V126-A251 VanDerWaalsContact O-CB 3.32Å; V126-A251 WeakPolarHBondContact O-CB 3.18Å; V126-L253 HydrophobicContact CG1-CB 4.03Å; V126-L253 HydrophobicContact CG1-CD1 4.28Å
127	F	98.6	Very high	97.7	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.009	21%	0.21	C	C	.	.	H	α-helix	trans	-74.5	-30.1	-176	-64.8	-69.8	0	0	0	113.7	W115 R123 A124 A130 A131 L169 V173 S220 A223 L224 L253	W115-F127 HydrophobicContact CZ2-CE2 4.12Å; R123-F127 VanDerWaalsContact O-CD2 3.26Å; R123-F127 WeakPolarHBondContact O-CD2 3.5Å; R123-F127 PolarHBondContact O-N 3.18Å; A124-F127 PolarHBondContact O-N 3.3Å; F127-A130 WeakPolarHBondContact O-CB 3.49Å; F127-A130 PolarHBondContact O-N 2.8Å; F127-A131 PolarHBondContact O-N 2.81Å; F127-L169 HydrophobicContact CB-CD2 4.24Å; F127-L169 HydrophobicContact CD1-CD2 3.89Å; F127-L169 HydrophobicContact CG-CD2 4.49Å; F127-V173 HydrophobicContact CB-CG2 4.44Å; F127-S220 VanDerWaalsContact CE1-CB 3.49Å; F127-A223 HydrophobicContact CE2-CB 4.41Å; F127-A223 HydrophobicContact CZ-CB 3.7Å; F127-L224 HydrophobicContact CD2-CB 3.94Å; F127-L224 HydrophobicContact CD2-CD1 3.78Å; F127-L224 HydrophobicContact CD2-CG 4.44Å; F127-L224 HydrophobicContact CE2-CB 3.9Å; F127-L224 HydrophobicContact CE2-CD1 4.38Å; F127-L253 HydrophobicContact CZ-CD1 4.03Å
128	L	98.4	Very high	97.8	Very high	8 Å²	8	37.3 Å²	37.3	4%	0.042	19%	0.185	C	C	.	.	H	α-helix	trans	-68.6	-40.6	170.8	-69	179.3	0	0	0	111.9	Y20 L23 F28 A124 A130 A131 D132 R170 V173	Y20-L128 HydrophobicContact CD1-CD1 4.33Å; Y20-L128 HydrophobicContact CE1-CB 3.57Å; Y20-L128 HydrophobicContact CE1-CD1 3.97Å; Y20-L128 HydrophobicContact CE1-CG 4.44Å; L23-L128 HydrophobicContact CD1-CD1 4.11Å; L23-L128 HydrophobicContact CD2-CD1 4.34Å; F28-L128 HydrophobicContact CE1-CD2 4.25Å; F28-L128 HydrophobicContact CE2-CD1 4.07Å; F28-L128 HydrophobicContact CE2-CD2 4.27Å; F28-L128 HydrophobicContact CZ-CD1 4.01Å; F28-L128 HydrophobicContact CZ-CD2 3.51Å; F28-L128 HydrophobicContact CZ-CG 4.41Å; A124-L128 WeakPolarHBondContact O-CB 3.34Å; A124-L128 VanDerWaalsContact O-CG 3.31Å; A124-L128 WeakPolarHBondContact O-CG 3.36Å; A124-L128 PolarHBondContact O-N 2.86Å; L128-A130 VanDerWaalsContact C-N 3.27Å; L128-A130 PolarHBondContact O-N 3.06Å; L128-A131 WeakPolarHBondContact O-CB 3.47Å; L128-A131 PolarHBondContact O-N 3.07Å; L128-A131 VanDerWaalsContact O-N 3.12Å; L128-D132 PolarHBondContact O-N 2.81Å; L128-R170 HydrophobicContact CD2-CB 4.39Å; L128-R170 HydrophobicContact CD2-CG 4.07Å; L128-V173 HydrophobicContact CD1-CG1 4.18Å; L128-V173 HydrophobicContact CD2-CB 4.12Å; L128-V173 HydrophobicContact CD2-CG1 4.24Å; L128-V173 HydrophobicContact CD2-CG2 4.09Å; L128-V173 HydrophobicContact CG-CB 4.45Å; L128-V173 HydrophobicContact CG-CG1 4.25Å; L128-V173 HydrophobicContact CG-CG2 4.12Å
129	K	98.6	Very high	97.9	Very high	88 Å²	88	35.8 Å²	35.8	38%	0.383	18%	0.175	S	C	.	.	H	α-helix	trans	-62.1	-38.1	171.6	-178.1	178.3	173.4	-155.3	0	111.1	Y20 K125 V126 D132 L133 E250 A251	Y20-K129 PolarHBondContact OH-N 3.49Å; K125-K129 VanDerWaalsContact O-CB 3.27Å; K125-K129 WeakPolarHBondContact O-CB 3.39Å; K125-K129 PolarHBondContact O-N 3.45Å; V126-K129 PolarHBondContact O-N 2.89Å; K129-D132 PolarHBondContact O-N 2.98Å; K129-L133 WeakPolarHBondContact O-CG 3.46Å; K129-L133 PolarHBondContact O-N 3.4Å; K129-E250 PolarHBondContact NZ-O 3.01Å; K129-A251 HydrophobicContact CB-CB 4.22Å; K129-A251 HydrophobicContact CD-CB 4.45Å; K129-A251 HydrophobicContact CG-CB 4.2Å
130	A	98.8	Very high	98	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.4	-45.1	172.1	0	0	0	0	0	111.3	V126 F127 L128 D132 L133 V134 L169 L247 F248 A251	V126-A130 PolarHBondContact O-N 3.13Å; F127-A130 WeakPolarHBondContact O-CB 3.49Å; F127-A130 PolarHBondContact O-N 2.8Å; L128-A130 VanDerWaalsContact C-N 3.27Å; L128-A130 PolarHBondContact O-N 3.06Å; A130-D132 VanDerWaalsContact C-N 3.29Å; A130-D132 PolarHBondContact O-N 2.79Å; A130-L133 WeakPolarHBondContact O-CB 3.38Å; A130-L133 PolarHBondContact O-N 2.8Å; A130-L133 VanDerWaalsContact O-N 3.12Å; A130-V134 WeakPolarHBondContact O-CG2 3.48Å; A130-V134 PolarHBondContact O-N 3.29Å; A130-L169 HydrophobicContact CB-CD1 4.01Å; A130-L247 HydrophobicContact CB-CD2 3.5Å; A130-L247 WeakPolarHBondContact O-CD2 3.39Å; A130-F248 HydrophobicContact CB-CD1 3.79Å; A130-F248 HydrophobicContact CB-CE1 4.11Å; A130-A251 HydrophobicContact CB-CB 3.75Å
131	A	98.7	Very high	98.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-57.9	-42.1	176.2	0	0	0	0	0	112.2	F127 L128 L133 V134 S135 L169 R170	F127-A131 PolarHBondContact O-N 2.81Å; L128-A131 WeakPolarHBondContact O-CB 3.47Å; L128-A131 PolarHBondContact O-N 3.07Å; L128-A131 VanDerWaalsContact O-N 3.12Å; A131-L133 VanDerWaalsContact C-N 3.34Å; A131-L133 PolarHBondContact O-N 3.01Å; A131-V134 PolarHBondContact O-N 2.99Å; A131-S135 PolarHBondContact O-N 3.43Å; A131-S135 PolarHBondContact O-OG 3.19Å; A131-S135 VanDerWaalsContact O-OG 3.09Å; A131-L169 HydrophobicContact CB-CB 3.86Å; A131-L169 HydrophobicContact CB-CD1 4.23Å; A131-R170 HydrophobicContact CB-CG 3.63Å
132	D	98.4	Very high	98.3	Very high	43 Å²	43	34.6 Å²	34.6	23%	0.23	16%	0.163	C	C	.	.	H	α-helix	trans	-64.8	-37.6	176.7	-66.4	-17.8	0	0	0	112.4	Y20 L128 K129 A130 V134 S135 D136 R170	Y20-D132 PolarHBondContact OH-OD2 2.6Å; L128-D132 PolarHBondContact O-N 2.81Å; K129-D132 PolarHBondContact O-N 2.98Å; A130-D132 VanDerWaalsContact C-N 3.29Å; A130-D132 PolarHBondContact O-N 2.79Å; D132-V134 VanDerWaalsContact C-N 3.35Å; D132-S135 PolarHBondContact O-N 2.91Å; D132-D136 PolarHBondContact O-N 2.82Å; D132-R170 IonicContact OD1-NH2 3.72Å; D132-R170 PolarHBondContact OD1-NH2 2.92Å
133	L	98.7	Very high	98.4	Very high	19 Å²	19	29.7 Å²	29.7	10%	0.099	14%	0.14	C	C	.	.	H	α-helix	trans	-65.3	-37.3	174.6	-73.2	175.2	0	0	0	112.1	K129 A130 A131 K137 Y138 L247 E250 A251	K129-L133 WeakPolarHBondContact O-CG 3.46Å; K129-L133 PolarHBondContact O-N 3.4Å; A130-L133 WeakPolarHBondContact O-CB 3.38Å; A130-L133 PolarHBondContact O-N 2.8Å; A130-L133 VanDerWaalsContact O-N 3.12Å; A131-L133 VanDerWaalsContact C-N 3.34Å; A131-L133 PolarHBondContact O-N 3.01Å; L133-K137 HydrophobicContact CD2-CB 4.26Å; L133-K137 HydrophobicContact CD2-CD 4.05Å; L133-K137 PolarHBondContact O-N 3.28Å; L133-Y138 HydrophobicContact CB-CD2 4.12Å; L133-Y138 HydrophobicContact CD2-CD2 4.37Å; L133-Y138 HydrophobicContact CD2-CE2 4.26Å; L133-Y138 PolarHBondContact O-N 2.97Å; L133-L247 HydrophobicContact CB-CD1 3.68Å; L133-L247 HydrophobicContact CB-CD2 4.05Å; L133-L247 HydrophobicContact CB-CG 3.67Å; L133-L247 HydrophobicContact CD1-CD2 4.44Å; L133-L247 HydrophobicContact CD1-CG 4.07Å; L133-E250 HydrophobicContact CD1-CB 4.1Å; L133-E250 HydrophobicContact CD1-CG 3.98Å; L133-A251 HydrophobicContact CD1-CB 4.1Å
134	V	98.7	Very high	98.4	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.006	14%	0.136	C	C	.	.	H	α-helix	trans	-67.9	-46.2	175.4	171.4	0	0	0	0	110.6	A130 A131 D132 D136 R139 L142 L165 A166 L169 L247	A130-V134 WeakPolarHBondContact O-CG2 3.48Å; A130-V134 PolarHBondContact O-N 3.29Å; A131-V134 PolarHBondContact O-N 2.99Å; D132-V134 VanDerWaalsContact C-N 3.35Å; V134-D136 VanDerWaalsContact C-N 3.26Å; V134-D136 PolarHBondContact O-N 2.95Å; V134-R139 VanDerWaalsContact O-CA 3.29Å; V134-R139 WeakPolarHBondContact O-CA 3.42Å; V134-R139 VanDerWaalsContact O-CB 3.26Å; V134-R139 WeakPolarHBondContact O-CB 3.47Å; V134-R139 PolarHBondContact O-N 3.43Å; V134-L142 HydrophobicContact CB-CD1 4.19Å; V134-L142 HydrophobicContact CG1-CD1 3.89Å; V134-L142 HydrophobicContact CG2-CD1 3.92Å; V134-L165 HydrophobicContact CG1-CB 4.32Å; V134-L165 HydrophobicContact CG1-CD2 4.05Å; V134-L165 HydrophobicContact CG1-CG 4.22Å; V134-L165 HydrophobicContact CG2-CD2 3.73Å; V134-L165 HydrophobicContact CG2-CG 4.08Å; V134-A166 HydrophobicContact CB-CB 4.45Å; V134-A166 HydrophobicContact CG1-CB 4.07Å; V134-L169 HydrophobicContact CG2-CD1 4.28Å; V134-L247 HydrophobicContact CB-CD1 4.44Å; V134-L247 HydrophobicContact CG2-CD1 3.58Å; V134-L247 HydrophobicContact CG2-CD2 3.93Å; V134-L247 HydrophobicContact CG2-CG 4.44Å
135	S	98.1	Very high	98.4	Very high	21 Å²	21	28.6 Å²	28.6	15%	0.147	14%	0.136	C	C	.	.	H	α-helix	trans	-63.4	-30.6	-176.4	-66.1	0	0	0	0	113.4	E33 A131 D132 R139 R170	E33-S135 WeakPolarHBondContact OE1-CB 3.31Å; E33-S135 PolarHBondContact OE1-OG 3.07Å; E33-S135 PolarHBondContact OE2-OG 3.12Å; A131-S135 PolarHBondContact O-N 3.43Å; A131-S135 PolarHBondContact O-OG 3.19Å; A131-S135 VanDerWaalsContact O-OG 3.09Å; D132-S135 PolarHBondContact O-N 2.91Å; S135-R139 PolarHBondContact O-NH1 2.81Å; S135-R170 PolarHBondContact OG-NH1 2.77Å; S135-R170 PolarHBondContact OG-NH2 3.48Å
136	D	96.5	Very high	98.5	Very high	88 Å²	88	24.3 Å²	24.3	47%	0.471	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.1	-84.5	-171	-173.9	23.5	0	0	0	112.7	D132 V134 Y138 R139	D132-D136 PolarHBondContact O-N 2.82Å; V134-D136 VanDerWaalsContact C-N 3.26Å; V134-D136 PolarHBondContact O-N 2.95Å; D136-Y138 VanDerWaalsContact C-N 3.34Å; D136-Y138 PolarHBondContact O-N 2.89Å; D136-R139 PolarHBondContact O-N 3.19Å
137	K	98	Very high	98.5	Very high	101 Å²	101	23.6 Å²	23.6	44%	0.439	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-44.4	-166.8	178.8	178.1	170.1	-171.8	0	113.6	L133 E250	L133-K137 HydrophobicContact CD2-CB 4.26Å; L133-K137 HydrophobicContact CD2-CD 4.05Å; L133-K137 PolarHBondContact O-N 3.28Å; K137-E250 VanDerWaalsContact NZ-CD 3.29Å; K137-E250 IonicContact NZ-OE1 2.64Å; K137-E250 PolarHBondContact NZ-OE1 3.14Å; K137-E250 IonicContact NZ-OE2 2.73Å; K137-E250 PolarHBondContact NZ-OE2 2.83Å; K137-E250 VanDerWaalsContact NZ-OE2 3.12Å
138	Y	98.4	Very high	98.5	Very high	46 Å²	46	23.5 Å²	23.5	18%	0.18	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	7.2	-173.6	-70.5	-69.3	0	0	0	113.5	L133 D136 M140 E141 L142 L247 E250	L133-Y138 HydrophobicContact CB-CD2 4.12Å; L133-Y138 HydrophobicContact CD2-CD2 4.37Å; L133-Y138 HydrophobicContact CD2-CE2 4.26Å; L133-Y138 PolarHBondContact O-N 2.97Å; D136-Y138 VanDerWaalsContact C-N 3.34Å; D136-Y138 PolarHBondContact O-N 2.89Å; Y138-M140 PolarHBondContact O-N 3.04Å; Y138-E141 WeakPolarHBondContact CA-OE2 3.47Å; Y138-E141 PolarHBondContact O-N 3.09Å; Y138-L142 WeakPolarHBondContact O-CB 3.48Å; Y138-L142 WeakPolarHBondContact O-CG 3.42Å; Y138-L142 PolarHBondContact O-N 2.68Å; Y138-L247 HydrophobicContact CD2-CD1 3.65Å; Y138-L247 HydrophobicContact CD2-CG 4.15Å; Y138-L247 HydrophobicContact CG-CD1 4.03Å; Y138-E250 WeakPolarHBondContact CE2-OE2 3.42Å; Y138-E250 VanDerWaalsContact CZ-OE2 3.31Å; Y138-E250 PolarHBondContact OH-OE2 3.05Å
139	R	98.6	Very high	98.5	Very high	6 Å²	6	23.1 Å²	23.1	2%	0.023	11%	0.111	C	C	.	.	H	α-helix	trans	-55.7	-53	-173.8	-161.6	-168.2	-166.3	91.8	-1.5	110.3	E33 P34 V134 S135 D136 E141 L142 L143 E158 A162	E33-R139 IonicContact OE1-CZ 3.71Å; E33-R139 IonicContact OE1-NH1 2.77Å; E33-R139 PolarHBondContact OE1-NH1 3.47Å; E33-R139 IonicContact OE1-NH2 2.7Å; P34-R139 PolarHBondContact O-NH2 3.3Å; V134-R139 VanDerWaalsContact O-CA 3.29Å; V134-R139 WeakPolarHBondContact O-CA 3.42Å; V134-R139 VanDerWaalsContact O-CB 3.26Å; V134-R139 WeakPolarHBondContact O-CB 3.47Å; V134-R139 PolarHBondContact O-N 3.43Å; S135-R139 PolarHBondContact O-NH1 2.81Å; D136-R139 PolarHBondContact O-N 3.19Å; R139-E141 VanDerWaalsContact C-N 3.35Å; R139-E141 PolarHBondContact O-N 3.47Å; R139-L142 PolarHBondContact O-N 3.26Å; R139-L143 VanDerWaalsContact O-CG 3.27Å; R139-L143 WeakPolarHBondContact O-CG 3.48Å; R139-L143 PolarHBondContact O-N 3.35Å; R139-E158 IonicContact CZ-OE1 3.63Å; R139-E158 VanDerWaalsContact CZ-OE1 3.28Å; R139-E158 IonicContact NE-OE1 3.28Å; R139-E158 PolarHBondContact NE-OE1 3.19Å; R139-E158 VanDerWaalsContact NE-OE1 3.15Å; R139-E158 IonicContact NE-OE2 3.68Å; R139-E158 PolarHBondContact NE-OE2 3.44Å; R139-E158 IonicContact NH2-OE1 3.26Å; R139-E158 PolarHBondContact NH2-OE1 2.79Å; R139-A162 HydrophobicContact CG-CB 3.69Å
140	M	98.6	Very high	98.5	Very high	4 Å²	4	19 Å²	19	2%	0.02	9%	0.093	C	C	.	.	H	α-helix	trans	-67.3	-35.4	-174	-59.5	-59	156.9	0	0	112.4	L36 E44 R47 L48 T51 Y138 L143 A144	L36-M140 HydrophobicContact CD1-CE 4.22Å; E44-M140 HydrophobicContact CB-CE 4.03Å; R47-M140 HydrophobicContact CB-CG 4.02Å; R47-M140 HydrophobicContact CB-SD 4.32Å; L48-M140 HydrophobicContact CB-SD 3.82Å; L48-M140 HydrophobicContact CD1-SD 4.39Å; T51-M140 HydrophobicContact CG2-CB 4.2Å; T51-M140 WeakPolarHBondContact OG1-CB 3.49Å; Y138-M140 PolarHBondContact O-N 3.04Å; M140-L143 PolarHBondContact O-N 3.19Å; M140-L143 HydrophobicContact SD-CD1 4.03Å; M140-A144 VanDerWaalsContact O-CB 3.24Å; M140-A144 WeakPolarHBondContact O-CB 3.46Å; M140-A144 PolarHBondContact O-N 3.26Å
141	E	98.6	Very high	98.5	Very high	67 Å²	67	19 Å²	19	31%	0.313	9%	0.093	S	C	.	.	H	α-helix	trans	-67.9	-38.6	175.6	-64.8	90.8	152.3	0	0	112	T51 M55 Y138 R139 S145 L243	T51-E141 HydrophobicContact CG2-CG 4.11Å; M55-E141 HydrophobicContact CE-CB 4.49Å; Y138-E141 WeakPolarHBondContact CA-OE2 3.47Å; Y138-E141 PolarHBondContact O-N 3.09Å; R139-E141 VanDerWaalsContact C-N 3.35Å; R139-E141 PolarHBondContact O-N 3.47Å; E141-S145 VanDerWaalsContact O-CB 3.27Å; E141-S145 WeakPolarHBondContact O-CB 3.4Å; E141-S145 PolarHBondContact O-N 3.42Å; E141-S145 PolarHBondContact O-OG 3.4Å; E141-L243 HydrophobicContact CB-CD1 4.35Å
142	L	98.8	Very high	98.5	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-66.2	-41.6	174.5	-72.2	169.1	0	0	0	111.6	V134 Y138 R139 S145 T146 A161 L165 L243 V244 L247	V134-L142 HydrophobicContact CB-CD1 4.19Å; V134-L142 HydrophobicContact CG1-CD1 3.89Å; V134-L142 HydrophobicContact CG2-CD1 3.92Å; Y138-L142 WeakPolarHBondContact O-CB 3.48Å; Y138-L142 WeakPolarHBondContact O-CG 3.42Å; Y138-L142 PolarHBondContact O-N 2.68Å; R139-L142 PolarHBondContact O-N 3.26Å; L142-S145 PolarHBondContact O-OG 3.36Å; L142-S145 VanDerWaalsContact O-OG 3.09Å; L142-T146 VanDerWaalsContact O-CB 3.25Å; L142-T146 WeakPolarHBondContact O-CB 3.49Å; L142-T146 PolarHBondContact O-N 3.47Å; L142-T146 VanDerWaalsContact O-N 3.14Å; L142-T146 PolarHBondContact O-OG1 3.23Å; L142-A161 HydrophobicContact CB-CB 4.27Å; L142-L165 HydrophobicContact CD1-CD2 4.22Å; L142-L243 HydrophobicContact CD2-CB 4Å; L142-V244 HydrophobicContact CD2-CG2 3.72Å; L142-L247 HydrophobicContact CD1-CD1 4.32Å
143	L	98.7	Very high	98.5	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-62.3	-54.4	173.4	-62	-178.6	0	0	0	111.1	L48 R139 M140 S145 T146 I147 A157 E158 A162	L48-L143 HydrophobicContact CD1-CB 3.66Å; L48-L143 HydrophobicContact CD1-CD1 4.22Å; L48-L143 HydrophobicContact CD2-CD1 4.32Å; R139-L143 VanDerWaalsContact O-CG 3.27Å; R139-L143 WeakPolarHBondContact O-CG 3.48Å; R139-L143 PolarHBondContact O-N 3.35Å; M140-L143 PolarHBondContact O-N 3.19Å; M140-L143 HydrophobicContact SD-CD1 4.03Å; L143-S145 PolarHBondContact O-N 3.38Å; L143-T146 PolarHBondContact O-N 3.13Å; L143-T146 VanDerWaalsContact O-N 3.17Å; L143-I147 HydrophobicContact CB-CD1 4.47Å; L143-I147 WeakPolarHBondContact O-CB 3.39Å; L143-I147 VanDerWaalsContact O-CG1 3.22Å; L143-I147 WeakPolarHBondContact O-CG1 3.36Å; L143-I147 PolarHBondContact O-N 3.24Å; L143-A157 VanDerWaalsContact CD2-C 3.42Å; L143-A157 HydrophobicContact CD2-CB 4.19Å; L143-A157 VanDerWaalsContact CD2-O 3.24Å; L143-A157 WeakPolarHBondContact CD2-O 3.48Å; L143-E158 WeakPolarHBondContact CD1-OE2 3.09Å; L143-E158 VanDerWaalsContact CD2-CA 3.42Å; L143-E158 HydrophobicContact CD2-CB 4.3Å; L143-A162 HydrophobicContact CD2-CB 4.02Å
144	A	98.7	Very high	98.4	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-59.2	-46.7	-176.8	0	0	0	0	0	111.9	L48 T51 L52 M55 M140 T146 I147 L148	L48-A144 HydrophobicContact CD1-CB 4.39Å; T51-A144 HydrophobicContact CG2-CB 3.82Å; L52-A144 HydrophobicContact CD2-CB 3.75Å; L52-A144 HydrophobicContact CG-CB 4.05Å; M55-A144 HydrophobicContact CE-CB 3.83Å; M55-A144 HydrophobicContact SD-CB 3.94Å; M140-A144 VanDerWaalsContact O-CB 3.24Å; M140-A144 WeakPolarHBondContact O-CB 3.46Å; M140-A144 PolarHBondContact O-N 3.26Å; A144-T146 VanDerWaalsContact C-N 3.3Å; A144-T146 PolarHBondContact O-N 3.11Å; A144-I147 PolarHBondContact O-N 3.4Å; A144-L148 WeakPolarHBondContact O-CB 3.18Å; A144-L148 VanDerWaalsContact O-CG 3.24Å; A144-L148 WeakPolarHBondContact O-CG 3.45Å; A144-L148 PolarHBondContact O-N 2.77Å
145	S	98.8	Very high	98.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-63.6	-35.7	178.2	58.6	0	0	0	0	112.9	M55 E141 L142 L143 G149 L243	M55-S145 VanDerWaalsContact SD-CA 3.51Å; M55-S145 PolarHBondContact SD-N 3.49Å; M55-S145 VanDerWaalsContact SD-N 3.41Å; E141-S145 VanDerWaalsContact O-CB 3.27Å; E141-S145 WeakPolarHBondContact O-CB 3.4Å; E141-S145 PolarHBondContact O-N 3.42Å; E141-S145 PolarHBondContact O-OG 3.4Å; L142-S145 PolarHBondContact O-OG 3.36Å; L142-S145 VanDerWaalsContact O-OG 3.09Å; L143-S145 PolarHBondContact O-N 3.38Å; S145-G149 WeakPolarHBondContact O-CA 3.4Å; S145-G149 PolarHBondContact O-N 2.87Å; S145-L243 WeakPolarHBondContact OG-CD1 3.27Å
146	T	98.8	Very high	98.2	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-73.9	-42.3	177.3	-59.8	0	0	0	0	111.5	L142 L143 A144 Q150 K152 A157 A161 T212	L142-T146 VanDerWaalsContact O-CB 3.25Å; L142-T146 WeakPolarHBondContact O-CB 3.49Å; L142-T146 PolarHBondContact O-N 3.47Å; L142-T146 VanDerWaalsContact O-N 3.14Å; L142-T146 PolarHBondContact O-OG1 3.23Å; L143-T146 PolarHBondContact O-N 3.13Å; L143-T146 VanDerWaalsContact O-N 3.17Å; A144-T146 VanDerWaalsContact C-N 3.3Å; A144-T146 PolarHBondContact O-N 3.11Å; T146-Q150 WeakPolarHBondContact O-CA 3.22Å; T146-Q150 VanDerWaalsContact O-CB 3.26Å; T146-Q150 WeakPolarHBondContact O-CB 3.28Å; T146-Q150 PolarHBondContact O-N 2.82Å; T146-K152 HydrophobicContact CG2-CB 4.37Å; T146-K152 HydrophobicContact CG2-CD 3.78Å; T146-K152 HydrophobicContact CG2-CG 4.28Å; T146-A157 HydrophobicContact CG2-CB 4.22Å; T146-A161 HydrophobicContact CG2-CB 4.19Å; T146-A161 VanDerWaalsContact OG1-CB 3.28Å; T146-A161 WeakPolarHBondContact OG1-CB 3.41Å; T146-T212 PolarHBondContact OG1-OG1 3.31Å
147	I	98.7	Very high	98.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-58.2	-51.8	174.8	-71	165.5	0	0	0	110	L48 L52 L143 A144 A151 K152 I154 A157 P379 L380	L48-I147 HydrophobicContact CD1-CD1 4.22Å; L48-I147 HydrophobicContact CD2-CD1 4.12Å; L52-I147 HydrophobicContact CD1-CD1 4.41Å; L52-I147 HydrophobicContact CD2-CB 4.19Å; L52-I147 HydrophobicContact CD2-CD1 4.4Å; L52-I147 HydrophobicContact CD2-CG2 3.97Å; L143-I147 HydrophobicContact CB-CD1 4.47Å; L143-I147 WeakPolarHBondContact O-CB 3.39Å; L143-I147 VanDerWaalsContact O-CG1 3.22Å; L143-I147 WeakPolarHBondContact O-CG1 3.36Å; L143-I147 PolarHBondContact O-N 3.24Å; A144-I147 PolarHBondContact O-N 3.4Å; I147-A151 VanDerWaalsContact O-CA 3.26Å; I147-A151 WeakPolarHBondContact O-CA 3.47Å; I147-A151 PolarHBondContact O-N 3.26Å; I147-K152 WeakPolarHBondContact CA-O 3.3Å; I147-K152 WeakPolarHBondContact CG1-O 3.29Å; I147-I154 HydrophobicContact CD1-CG1 4.05Å; I147-A157 HydrophobicContact CD1-CB 4.15Å; I147-A157 HydrophobicContact CG1-CB 3.54Å; I147-P379 HydrophobicContact CG2-CB 4.03Å; I147-P379 HydrophobicContact CG2-CG 4.05Å; I147-L380 HydrophobicContact CG2-CD2 4.2Å
148	L	98.7	Very high	98.3	Very high	0 Å²	0	14 Å²	14	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-69.5	-49.9	-176.7	-67.7	178.3	0	0	0	112.4	L52 M55 I56 L82 P83 F84 L90 A144 L380	L52-L148 HydrophobicContact CD2-CD1 4.2Å; L52-L148 HydrophobicContact CD2-CD2 4.1Å; L52-L148 HydrophobicContact CD2-CG 3.85Å; M55-L148 HydrophobicContact CB-CD1 3.9Å; M55-L148 HydrophobicContact CG-CD1 3.74Å; M55-L148 HydrophobicContact SD-CD1 3.79Å; I56-L148 HydrophobicContact CD1-CD2 3.96Å; I56-L148 HydrophobicContact CG1-CD1 3.86Å; I56-L148 HydrophobicContact CG1-CD2 3.81Å; L82-L148 HydrophobicContact CD2-CB 3.73Å; L82-L148 HydrophobicContact CD2-CD2 4.37Å; L82-L148 VanDerWaalsContact CD2-O 3.27Å; L82-L148 WeakPolarHBondContact CD2-O 3.33Å; P83-L148 WeakPolarHBondContact CD-O 3.34Å; F84-L148 HydrophobicContact CZ-CD2 3.9Å; L90-L148 HydrophobicContact CD1-CB 4.15Å; L90-L148 HydrophobicContact CD1-CD1 4.11Å; L90-L148 HydrophobicContact CD2-CB 4.07Å; A144-L148 WeakPolarHBondContact O-CB 3.18Å; A144-L148 VanDerWaalsContact O-CG 3.24Å; A144-L148 WeakPolarHBondContact O-CG 3.45Å; A144-L148 PolarHBondContact O-N 2.77Å; L148-L380 HydrophobicContact CD2-CD2 3.95Å
149	G	98.6	Very high	98.2	Very high	1 Å²	1	16 Å²	16	1%	0.01	8%	0.077	C	C	.	.	H	α-helix	trans	-79.8	-25.4	-172.2	0	0	0	0	0	114.2	L90 S145 T236	L90-G149 VanDerWaalsContact CD2-CA 3.42Å; S145-G149 WeakPolarHBondContact O-CA 3.4Å; S145-G149 PolarHBondContact O-N 2.87Å; G149-T236 VanDerWaalsContact O-O 3.1Å
150	Q	98.7	Very high	98.2	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-119.9	1.7	-174.7	-64.4	154.6	-108	0	0	113.2	T146 K152 F209 T212 S240 Y342 I390	T146-Q150 WeakPolarHBondContact O-CA 3.22Å; T146-Q150 VanDerWaalsContact O-CB 3.26Å; T146-Q150 WeakPolarHBondContact O-CB 3.28Å; T146-Q150 PolarHBondContact O-N 2.82Å; Q150-K152 VanDerWaalsContact C-N 3.28Å; Q150-K152 PolarHBondContact O-N 2.77Å; Q150-F209 PolarHBondContact NE2-O 2.8Å; Q150-T212 PolarHBondContact NE2-OG1 3.1Å; Q150-T212 PolarHBondContact OE1-OG1 3.16Å; Q150-T212 VanDerWaalsContact OE1-OG1 3.07Å; Q150-S240 PolarHBondContact OE1-OG 3.12Å; Q150-Y342 WeakPolarHBondContact O-CE2 3.44Å; Q150-Y342 PolarHBondContact O-OH 3.12Å; Q150-I390 HydrophobicContact CB-CD1 4.23Å; Q150-I390 HydrophobicContact CG-CD1 4.26Å
151	A	98.6	Very high	98.2	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.008	8%	0.075	C	C	.	.			trans	59	34.6	179.8	0	0	0	0	0	114	P83 F84 I147 S387	P83-A151 HydrophobicContact CB-CB 3.93Å; P83-A151 HydrophobicContact CG-CB 4Å; F84-A151 HydrophobicContact CD1-CB 4.13Å; I147-A151 VanDerWaalsContact O-CA 3.26Å; I147-A151 WeakPolarHBondContact O-CA 3.47Å; I147-A151 PolarHBondContact O-N 3.26Å; A151-S387 WeakPolarHBondContact O-CB 3.23Å
152	K	98.5	Very high	98.2	Very high	3 Å²	3	12.4 Å²	12.4	1%	0.013	6%	0.06	C	C	.	.			trans	-83	142.2	173.6	-75.3	-163.1	173	-168.7	0	111.3	T146 I147 Q150 Q156 A157 D160 N210 Y342 P379	T146-K152 HydrophobicContact CG2-CB 4.37Å; T146-K152 HydrophobicContact CG2-CD 3.78Å; T146-K152 HydrophobicContact CG2-CG 4.28Å; I147-K152 WeakPolarHBondContact CA-O 3.3Å; I147-K152 WeakPolarHBondContact CG1-O 3.29Å; Q150-K152 VanDerWaalsContact C-N 3.28Å; Q150-K152 PolarHBondContact O-N 2.77Å; K152-Q156 HydrophobicContact CB-CB 4.07Å; K152-Q156 HydrophobicContact CD-CB 4.17Å; K152-Q156 HydrophobicContact CG-CB 4.28Å; K152-A157 HydrophobicContact CB-CB 4.11Å; K152-D160 HydrophobicContact CD-CB 4.43Å; K152-D160 WeakPolarHBondContact CE-OD2 3.37Å; K152-D160 IonicContact NZ-OD2 3.76Å; K152-D160 PolarHBondContact NZ-OD2 3.33Å; K152-N210 WeakPolarHBondContact CE-O 3.29Å; K152-N210 PolarHBondContact NZ-O 3.2Å; K152-Y342 HydrophobicContact CB-CE2 4.4Å; K152-Y342 HydrophobicContact CD-CD2 4.42Å; K152-Y342 HydrophobicContact CD-CE2 4.16Å; K152-Y342 VanDerWaalsContact CE-CE1 3.47Å; K152-Y342 HydrophobicContact CG-CD2 3.61Å; K152-Y342 HydrophobicContact CG-CE2 3.28Å; K152-Y342 HydrophobicContact CG-CG 4.42Å; K152-P379 VanDerWaalsContact O-CB 3.29Å; K152-P379 WeakPolarHBondContact O-CB 3.32Å
153	T	98	Very high	98.1	Very high	10 Å²	10	12.6 Å²	12.6	6%	0.061	6%	0.061	C	C	.	.			trans	-67.2	163.1	166.5	69.3	0	0	0	0	110.5	F155 Q156 A157 T384 F385	T153-F155 VanDerWaalsContact C-N 3.28Å; T153-F155 PolarHBondContact O-N 3.32Å; T153-Q156 VanDerWaalsContact N-OE1 3.13Å; T153-Q156 PolarHBondContact O-N 2.87Å; T153-Q156 VanDerWaalsContact O-N 3.09Å; T153-Q156 VanDerWaalsContact OG1-CG 3.3Å; T153-Q156 WeakPolarHBondContact OG1-CG 3.43Å; T153-Q156 PolarHBondContact OG1-N 2.96Å; T153-Q156 PolarHBondContact OG1-OE1 3.28Å; T153-A157 WeakPolarHBondContact O-CB 3.25Å; T153-A157 PolarHBondContact O-N 3.21Å; T153-T384 HydrophobicContact CG2-CG2 4.27Å; T153-T384 WeakPolarHBondContact CG2-O 3.37Å; T153-F385 WeakPolarHBondContact CG2-O 3.49Å
154	I	97.1	Very high	98.1	Very high	12 Å²	12	14.1 Å²	14.1	6%	0.062	7%	0.068	C	C	.	.	H	α-helix	trans	-52.3	-47.3	177.9	-63.1	173.4	0	0	0	111.3	H38 L48 I147 Q156 A157 E158	H38-I154 HydrophobicContact CB-CG2 3.58Å; L48-I154 HydrophobicContact CD2-CB 4.36Å; L48-I154 HydrophobicContact CD2-CD1 4.18Å; L48-I154 HydrophobicContact CD2-CG1 3.96Å; L48-I154 HydrophobicContact CD2-CG2 3.63Å; I147-I154 HydrophobicContact CD1-CG1 4.05Å; I154-Q156 PolarHBondContact O-N 2.99Å; I154-A157 PolarHBondContact O-N 2.95Å; I154-E158 VanDerWaalsContact O-CB 3.29Å; I154-E158 WeakPolarHBondContact O-CB 3.3Å; I154-E158 PolarHBondContact O-N 3.07Å
155	F	95.1	Very high	98.1	Very high	116 Å²	116	14.1 Å²	14.1	51%	0.509	7%	0.068	S	C	.	.	H	α-helix	trans	-63.6	-39.3	179.7	-64	-70.8	0	0	0	112.9	L37 T153 I159	L37-F155 WeakPolarHBondContact O-CE1 3.37Å; T153-F155 VanDerWaalsContact C-N 3.28Å; T153-F155 PolarHBondContact O-N 3.32Å; F155-I159 WeakPolarHBondContact O-CG1 3.16Å; F155-I159 PolarHBondContact O-N 3.34Å
156	Q	97.4	Very high	98.1	Very high	26 Å²	26	14.1 Å²	14.1	12%	0.121	7%	0.068	C	C	.	.	H	α-helix	trans	-71	-39.8	179.3	-69	160.4	4.8	0	0	111.5	K152 T153 I154 D160 F385	K152-Q156 HydrophobicContact CB-CB 4.07Å; K152-Q156 HydrophobicContact CD-CB 4.17Å; K152-Q156 HydrophobicContact CG-CB 4.28Å; T153-Q156 VanDerWaalsContact N-OE1 3.13Å; T153-Q156 PolarHBondContact O-N 2.87Å; T153-Q156 VanDerWaalsContact O-N 3.09Å; T153-Q156 VanDerWaalsContact OG1-CG 3.3Å; T153-Q156 WeakPolarHBondContact OG1-CG 3.43Å; T153-Q156 PolarHBondContact OG1-N 2.96Å; T153-Q156 PolarHBondContact OG1-OE1 3.28Å; I154-Q156 PolarHBondContact O-N 2.99Å; Q156-D160 WeakPolarHBondContact O-CB 3.43Å; Q156-D160 PolarHBondContact O-N 2.95Å; Q156-D160 VanDerWaalsContact O-N 3.1Å; Q156-F385 PolarHBondContact NE2-O 3.24Å
157	A	98.4	Very high	98.1	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-68.4	-37.9	176.5	0	0	0	0	0	111.8	L143 T146 I147 K152 T153 I154 D160 A161	L143-A157 VanDerWaalsContact CD2-C 3.42Å; L143-A157 HydrophobicContact CD2-CB 4.19Å; L143-A157 VanDerWaalsContact CD2-O 3.24Å; L143-A157 WeakPolarHBondContact CD2-O 3.48Å; T146-A157 HydrophobicContact CG2-CB 4.22Å; I147-A157 HydrophobicContact CD1-CB 4.15Å; I147-A157 HydrophobicContact CG1-CB 3.54Å; K152-A157 HydrophobicContact CB-CB 4.11Å; T153-A157 WeakPolarHBondContact O-CB 3.25Å; T153-A157 PolarHBondContact O-N 3.21Å; I154-A157 PolarHBondContact O-N 2.95Å; A157-D160 PolarHBondContact O-N 3.27Å; A157-A161 WeakPolarHBondContact O-CB 3.37Å; A157-A161 PolarHBondContact O-N 3.02Å
158	E	98	Very high	98.1	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.077	C	C	.	.	I	π-helix	trans	-60.8	-45.6	176.6	177.5	67.9	-167.7	0	0	112.3	V35 L36 H38 R139 L143 I154 A163	V35-E158 HydrophobicContact CG1-CG 3.75Å; L36-E158 VanDerWaalsContact CB-OE1 3.3Å; L36-E158 WeakPolarHBondContact CB-OE1 3.31Å; L36-E158 WeakPolarHBondContact CG-OE1 3.5Å; L36-E158 PolarHBondContact N-OE1 3.01Å; L36-E158 WeakPolarHBondContact O-CG 3.39Å; H38-E158 IonicContact CD2-OE2 3.25Å; H38-E158 IonicContact CE1-OE2 3.15Å; H38-E158 IonicContact NE2-OE2 3.42Å; H38-E158 PolarHBondContact NE2-OE2 3.46Å; R139-E158 IonicContact CZ-OE1 3.63Å; R139-E158 VanDerWaalsContact CZ-OE1 3.28Å; R139-E158 IonicContact NE-OE1 3.28Å; R139-E158 PolarHBondContact NE-OE1 3.19Å; R139-E158 VanDerWaalsContact NE-OE1 3.15Å; R139-E158 IonicContact NE-OE2 3.68Å; R139-E158 PolarHBondContact NE-OE2 3.44Å; R139-E158 IonicContact NH2-OE1 3.26Å; R139-E158 PolarHBondContact NH2-OE1 2.79Å; L143-E158 WeakPolarHBondContact CD1-OE2 3.09Å; L143-E158 VanDerWaalsContact CD2-CA 3.42Å; L143-E158 HydrophobicContact CD2-CB 4.3Å; I154-E158 VanDerWaalsContact O-CB 3.29Å; I154-E158 WeakPolarHBondContact O-CB 3.3Å; I154-E158 PolarHBondContact O-N 3.07Å; E158-A163 PolarHBondContact O-N 3.42Å
159	I	97.4	Very high	98.1	Very high	90 Å²	90	16 Å²	16	46%	0.462	8%	0.077	S	C	.	.	I	π-helix	trans	-66.4	-46.3	177.8	-66.8	166.8	0	0	0	110.2	V35 F155 E164	V35-I159 HydrophobicContact CG1-CG1 4.36Å; F155-I159 WeakPolarHBondContact O-CG1 3.16Å; F155-I159 PolarHBondContact O-N 3.34Å; I159-E164 WeakPolarHBondContact O-CB 3.25Å; I159-E164 PolarHBondContact O-N 3.39Å
160	D	98	Very high	98	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.079	C	C	.	.	I	π-helix	trans	-73.1	-74.9	-178.4	171.7	20.7	0	0	0	112.6	K152 Q156 A157 A162 L165 F211 T212 A213	K152-D160 HydrophobicContact CD-CB 4.43Å; K152-D160 WeakPolarHBondContact CE-OD2 3.37Å; K152-D160 IonicContact NZ-OD2 3.76Å; K152-D160 PolarHBondContact NZ-OD2 3.33Å; Q156-D160 WeakPolarHBondContact O-CB 3.43Å; Q156-D160 PolarHBondContact O-N 2.95Å; Q156-D160 VanDerWaalsContact O-N 3.1Å; A157-D160 PolarHBondContact O-N 3.27Å; D160-A162 VanDerWaalsContact C-N 3.26Å; D160-A162 PolarHBondContact O-N 3.12Å; D160-L165 PolarHBondContact O-N 2.99Å; D160-F211 HydrophobicContact CB-CD1 3.86Å; D160-F211 HydrophobicContact CB-CE1 4.14Å; D160-F211 WeakPolarHBondContact OD1-CA 3.38Å; D160-F211 WeakPolarHBondContact OD1-CD1 3.46Å; D160-F211 WeakPolarHBondContact OD2-CA 3.36Å; D160-T212 PolarHBondContact OD1-N 2.98Å; D160-T212 PolarHBondContact OD2-N 2.9Å; D160-T212 VanDerWaalsContact OD2-N 3.13Å; D160-A213 WeakPolarHBondContact O-CB 3.42Å; D160-A213 WeakPolarHBondContact OD1-CB 3.48Å; D160-A213 PolarHBondContact OD1-N 3.5Å
161	A	98.4	Very high	98	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.081	C	C	.	.	I	π-helix	trans	-74.1	-14.8	-163.4	0	0	0	0	0	114.3	L142 T146 A157 T212	L142-A161 HydrophobicContact CB-CB 4.27Å; T146-A161 HydrophobicContact CG2-CB 4.19Å; T146-A161 VanDerWaalsContact OG1-CB 3.28Å; T146-A161 WeakPolarHBondContact OG1-CB 3.41Å; A157-A161 WeakPolarHBondContact O-CB 3.37Å; A157-A161 PolarHBondContact O-N 3.02Å; A161-T212 HydrophobicContact CB-CG2 4.28Å
162	A	98.2	Very high	97.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.089	C	C	.	.	I	π-helix	trans	-112.3	-70.3	176.5	0	0	0	0	0	112.1	R139 L143 D160 A166	R139-A162 HydrophobicContact CG-CB 3.69Å; L143-A162 HydrophobicContact CD2-CB 4.02Å; D160-A162 VanDerWaalsContact C-N 3.26Å; D160-A162 PolarHBondContact O-N 3.12Å; A162-A166 VanDerWaalsContact O-CB 3.28Å; A162-A166 WeakPolarHBondContact O-CB 3.25Å; A162-A166 PolarHBondContact O-N 3.15Å
163	A	98.2	Very high	97.8	Very high	5 Å²	5	18.4 Å²	18.4	4%	0.041	9%	0.088	C	C	.	.	I	π-helix	trans	-63.4	-55.3	-170.6	0	0	0	0	0	112.4	E33 V35 E158 L165 A166 D167	E33-A163 HydrophobicContact CB-CB 4.22Å; E33-A163 HydrophobicContact CG-CB 4.25Å; V35-A163 HydrophobicContact CG2-CB 4Å; E158-A163 PolarHBondContact O-N 3.42Å; A163-L165 PolarHBondContact O-N 3.31Å; A163-A166 PolarHBondContact O-N 3.23Å; A163-D167 WeakPolarHBondContact O-CB 3.48Å; A163-D167 VanDerWaalsContact O-CG 3.25Å; A163-D167 PolarHBondContact O-N 3.49Å
164	E	98.2	Very high	97.7	Very high	32 Å²	32	19.2 Å²	19.2	15%	0.15	9%	0.091	C	C	.	.	I	π-helix	trans	-67.3	-38.5	-177.3	-172.3	172.6	-149.9	0	0	112.3	I159 D167 F168 F211 A213 V513	I159-E164 WeakPolarHBondContact O-CB 3.25Å; I159-E164 PolarHBondContact O-N 3.39Å; E164-D167 PolarHBondContact O-N 2.86Å; E164-F168 HydrophobicContact CG-CD2 3.96Å; E164-F168 HydrophobicContact CG-CE2 3.59Å; E164-F168 HydrophobicContact CG-CZ 4.22Å; E164-F168 WeakPolarHBondContact O-CD2 3.45Å; E164-F168 PolarHBondContact O-N 3.46Å; E164-F211 WeakPolarHBondContact OE2-CD1 3.2Å; E164-F211 WeakPolarHBondContact OE2-CE1 3.35Å; E164-A213 HydrophobicContact CB-CB 3.84Å; E164-A213 HydrophobicContact CG-CB 3.76Å; E164-V513 HydrophobicContact CG-CG2 3.83Å
165	L	98.7	Very high	97.6	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.3	-47.5	174.8	177.7	60	0	0	0	111.9	V134 L142 D160 A163 D167 F168 L169 A213 V244	V134-L165 HydrophobicContact CG1-CB 4.32Å; V134-L165 HydrophobicContact CG1-CD2 4.05Å; V134-L165 HydrophobicContact CG1-CG 4.22Å; V134-L165 HydrophobicContact CG2-CD2 3.73Å; V134-L165 HydrophobicContact CG2-CG 4.08Å; L142-L165 HydrophobicContact CD1-CD2 4.22Å; D160-L165 PolarHBondContact O-N 2.99Å; A163-L165 PolarHBondContact O-N 3.31Å; L165-D167 VanDerWaalsContact C-N 3.3Å; L165-D167 PolarHBondContact O-N 3.18Å; L165-F168 PolarHBondContact O-N 3.41Å; L165-L169 HydrophobicContact CD1-CD1 4.4Å; L165-L169 HydrophobicContact CG-CD1 4.43Å; L165-L169 WeakPolarHBondContact O-CG 3.46Å; L165-L169 PolarHBondContact O-N 2.89Å; L165-A213 HydrophobicContact CB-CB 3.99Å; L165-V244 HydrophobicContact CD1-CG1 4.43Å; L165-V244 HydrophobicContact CD2-CG1 4.39Å; L165-V244 HydrophobicContact CD2-CG2 3.69Å
166	A	98.7	Very high	97.5	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-63.3	-39.6	177.2	0	0	0	0	0	111.3	E33 V134 A162 A163 L169 R170	E33-A166 HydrophobicContact CB-CB 4.15Å; E33-A166 HydrophobicContact CG-CB 4.12Å; V134-A166 HydrophobicContact CB-CB 4.45Å; V134-A166 HydrophobicContact CG1-CB 4.07Å; A162-A166 VanDerWaalsContact O-CB 3.28Å; A162-A166 WeakPolarHBondContact O-CB 3.25Å; A162-A166 PolarHBondContact O-N 3.15Å; A163-A166 PolarHBondContact O-N 3.23Å; A166-L169 PolarHBondContact O-N 2.95Å; A166-R170 WeakPolarHBondContact O-CG 3.5Å; A166-R170 PolarHBondContact O-N 2.73Å
167	D	98.3	Very high	97.3	Very high	6 Å²	6	17.3 Å²	17.3	3%	0.032	9%	0.086	C	C	.	.	H	α-helix	trans	-65.3	-44.6	177.1	-77.4	-13	0	0	0	112.3	N32 E33 A163 E164 L165 L169 R170 F171 V513	N32-D167 WeakPolarHBondContact CA-OD1 3.47Å; N32-D167 PolarHBondContact ND2-OD2 2.86Å; E33-D167 PolarHBondContact N-OD1 3.14Å; A163-D167 WeakPolarHBondContact O-CB 3.48Å; A163-D167 VanDerWaalsContact O-CG 3.25Å; A163-D167 PolarHBondContact O-N 3.49Å; E164-D167 PolarHBondContact O-N 2.86Å; L165-D167 VanDerWaalsContact C-N 3.3Å; L165-D167 PolarHBondContact O-N 3.18Å; D167-L169 VanDerWaalsContact C-N 3.27Å; D167-L169 PolarHBondContact O-N 3.3Å; D167-R170 PolarHBondContact O-N 2.93Å; D167-F171 HydrophobicContact CB-CD2 4Å; D167-F171 HydrophobicContact CB-CE2 4.36Å; D167-F171 WeakPolarHBondContact O-CB 2.96Å; D167-F171 WeakPolarHBondContact O-CD2 3.48Å; D167-F171 PolarHBondContact O-N 3.19Å; D167-V513 HydrophobicContact CB-CB 3.79Å; D167-V513 HydrophobicContact CB-CG1 3.93Å; D167-V513 HydrophobicContact CB-CG2 4.29Å
168	F	98.3	Very high	97	Very high	32 Å²	32	21.7 Å²	21.7	14%	0.14	11%	0.106	C	C	.	.	H	α-helix	trans	-55.3	-45.8	174.1	-83.2	-50	0	0	0	111.1	E164 L165 R170 N172 A213 I214 N217 V513	E164-F168 HydrophobicContact CG-CD2 3.96Å; E164-F168 HydrophobicContact CG-CE2 3.59Å; E164-F168 HydrophobicContact CG-CZ 4.22Å; E164-F168 WeakPolarHBondContact O-CD2 3.45Å; E164-F168 PolarHBondContact O-N 3.46Å; L165-F168 PolarHBondContact O-N 3.41Å; F168-R170 PolarHBondContact O-N 3.36Å; F168-N172 WeakPolarHBondContact O-CB 3.32Å; F168-N172 PolarHBondContact O-N 3.28Å; F168-N172 PolarHBondContact O-ND2 3.42Å; F168-A213 HydrophobicContact CD2-CB 3.93Å; F168-A213 HydrophobicContact CE2-CB 3.95Å; F168-I214 HydrophobicContact CE2-CG1 4.4Å; F168-N217 HydrophobicContact CB-CB 4.08Å; F168-N217 HydrophobicContact CD1-CB 4.17Å; F168-N217 HydrophobicContact CD2-CB 3.69Å; F168-N217 HydrophobicContact CE2-CB 4.12Å; F168-N217 HydrophobicContact CG-CB 3.73Å; F168-V513 HydrophobicContact CD1-CG1 4.35Å; F168-V513 HydrophobicContact CD1-CG2 4.08Å; F168-V513 HydrophobicContact CE1-CG2 3.86Å; F168-V513 HydrophobicContact CE2-CG2 4.49Å; F168-V513 HydrophobicContact CG-CG2 4.47Å; F168-V513 HydrophobicContact CZ-CG2 4.07Å
169	L	98.6	Very high	96.7	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.01	13%	0.13	C	C	.	.	H	α-helix	trans	-63.8	-42.2	-179.5	-65.7	167.9	0	0	0	112.2	F127 A130 A131 V134 L165 A166 D167 V173 F248	F127-L169 HydrophobicContact CB-CD2 4.24Å; F127-L169 HydrophobicContact CD1-CD2 3.89Å; F127-L169 HydrophobicContact CG-CD2 4.49Å; A130-L169 HydrophobicContact CB-CD1 4.01Å; A131-L169 HydrophobicContact CB-CB 3.86Å; A131-L169 HydrophobicContact CB-CD1 4.23Å; V134-L169 HydrophobicContact CG2-CD1 4.28Å; L165-L169 HydrophobicContact CD1-CD1 4.4Å; L165-L169 HydrophobicContact CG-CD1 4.43Å; L165-L169 WeakPolarHBondContact O-CG 3.46Å; L165-L169 PolarHBondContact O-N 2.89Å; A166-L169 PolarHBondContact O-N 2.95Å; D167-L169 VanDerWaalsContact C-N 3.27Å; D167-L169 PolarHBondContact O-N 3.3Å; L169-V173 WeakPolarHBondContact O-CG2 3.27Å; L169-F248 HydrophobicContact CD1-CE1 4.22Å; L169-F248 HydrophobicContact CD2-CE1 3.76Å; L169-F248 HydrophobicContact CD2-CZ 4.15Å
170	R	98.1	Very high	96.3	Very high	11 Å²	11	22.2 Å²	22.2	4%	0.042	12%	0.118	C	C	.	.	H	α-helix	trans	-76.7	-51.1	-179.3	-66	-175.7	-177.7	116.4	2.6	112.7	V30 E33 L128 A131 D132 S135 A166 D167 F168 N172 V173 Q174	V30-R170 HydrophobicContact CB-CB 4.4Å; V30-R170 HydrophobicContact CG1-CB 3.48Å; V30-R170 VanDerWaalsContact CG1-CB 3.48Å; V30-R170 HydrophobicContact CG2-CB 3.95Å; E33-R170 IonicContact OE2-CZ 3.12Å; E33-R170 IonicContact OE2-NH1 2.65Å; E33-R170 PolarHBondContact OE2-NH1 2.81Å; E33-R170 IonicContact OE2-NH2 3.8Å; L128-R170 HydrophobicContact CD2-CB 4.39Å; L128-R170 HydrophobicContact CD2-CG 4.07Å; A131-R170 HydrophobicContact CB-CG 3.63Å; D132-R170 IonicContact OD1-NH2 3.72Å; D132-R170 PolarHBondContact OD1-NH2 2.92Å; S135-R170 PolarHBondContact OG-NH1 2.77Å; S135-R170 PolarHBondContact OG-NH2 3.48Å; A166-R170 WeakPolarHBondContact O-CG 3.5Å; A166-R170 PolarHBondContact O-N 2.73Å; D167-R170 PolarHBondContact O-N 2.93Å; F168-R170 PolarHBondContact O-N 3.36Å; R170-N172 VanDerWaalsContact C-N 3.34Å; R170-N172 PolarHBondContact O-N 3.16Å; R170-V173 WeakPolarHBondContact O-CB 3.2Å; R170-V173 PolarHBondContact O-N 3.02Å; R170-V173 VanDerWaalsContact O-N 3.14Å; R170-Q174 PolarHBondContact O-N 2.98Å; R170-Q174 VanDerWaalsContact O-N 3.12Å
171	F	97.1	Very high	95.9	Very high	13 Å²	13	29.9 Å²	29.9	6%	0.057	15%	0.147	C	C	.	.	H	α-helix	trans	-65.9	-35.4	-178.9	-81.1	-78.9	0	0	0	112	V30 D167 V173 Q174 F175 V513	V30-F171 HydrophobicContact CB-CD1 4.07Å; V30-F171 HydrophobicContact CB-CD2 4.44Å; V30-F171 HydrophobicContact CB-CE1 3.94Å; V30-F171 HydrophobicContact CB-CE2 4.33Å; V30-F171 HydrophobicContact CB-CG 4.32Å; V30-F171 HydrophobicContact CB-CZ 4.08Å; V30-F171 HydrophobicContact CG1-CD1 4.15Å; V30-F171 HydrophobicContact CG1-CD2 3.64Å; V30-F171 HydrophobicContact CG1-CE1 4.04Å; V30-F171 HydrophobicContact CG1-CE2 3.53Å; V30-F171 HydrophobicContact CG1-CG 3.96Å; V30-F171 HydrophobicContact CG1-CZ 3.74Å; D167-F171 HydrophobicContact CB-CD2 4Å; D167-F171 HydrophobicContact CB-CE2 4.36Å; D167-F171 WeakPolarHBondContact O-CB 2.96Å; D167-F171 WeakPolarHBondContact O-CD2 3.48Å; D167-F171 PolarHBondContact O-N 3.19Å; F171-V173 VanDerWaalsContact C-N 3.26Å; F171-V173 PolarHBondContact O-N 2.89Å; F171-Q174 CarbonylContact O-C 3.12Å; F171-Q174 WeakPolarHBondContact O-CB 3.27Å; F171-Q174 PolarHBondContact O-N 3.4Å; F171-F175 HydrophobicContact CB-CD2 4.29Å; F171-F175 HydrophobicContact CB-CE2 3.75Å; F171-F175 HydrophobicContact CB-CZ 4Å; F171-F175 HydrophobicContact CD1-CE1 4.29Å; F171-F175 AromaticContact CD1-CZ 3.93Å; F171-F175 HydrophobicContact CD1-CZ 3.93Å; F171-F175 HydrophobicContact CG-CZ 4.34Å; F171-F175 WeakPolarHBondContact O-CD2 3.26Å; F171-F175 WeakPolarHBondContact O-CG 3.46Å; F171-F175 PolarHBondContact O-N 3.03Å; F171-V513 HydrophobicContact CB-CG1 3.91Å; F171-V513 HydrophobicContact CD2-CG1 3.71Å; F171-V513 HydrophobicContact CG-CG1 4Å
172	N	97.2	Very high	95.4	Very high	31 Å²	31	36.8 Å²	36.8	17%	0.166	17%	0.174	C	C	.	.	H	α-helix	trans	-61.2	-35.9	173.5	-74.4	-22.5	0	0	0	112.1	F168 R170 A176 N217 L224	F168-N172 WeakPolarHBondContact O-CB 3.32Å; F168-N172 PolarHBondContact O-N 3.28Å; F168-N172 PolarHBondContact O-ND2 3.42Å; R170-N172 VanDerWaalsContact C-N 3.34Å; R170-N172 PolarHBondContact O-N 3.16Å; N172-A176 WeakPolarHBondContact O-CB 3.43Å; N172-A176 PolarHBondContact O-N 2.98Å; N172-N217 PolarHBondContact ND2-OD1 3.1Å; N172-L224 HydrophobicContact CB-CD2 3.79Å; N172-L224 WeakPolarHBondContact O-CD2 3.23Å
173	V	97.2	Very high	94.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64.9	-42.7	173	170	0	0	0	0	110.8	L23 F28 F120 A124 F127 L128 L169 R170 F171 S177 L224	L23-V173 HydrophobicContact CD1-CG1 4.31Å; F28-V173 HydrophobicContact CD1-CG1 4.25Å; F28-V173 HydrophobicContact CE1-CB 4.19Å; F28-V173 HydrophobicContact CE1-CG1 3.83Å; F28-V173 HydrophobicContact CZ-CG1 4.42Å; F120-V173 HydrophobicContact CZ-CG1 4.29Å; F120-V173 WeakPolarHBondContact CZ-O 3.24Å; A124-V173 HydrophobicContact CB-CG1 3.73Å; A124-V173 HydrophobicContact CB-CG2 4.08Å; F127-V173 HydrophobicContact CB-CG2 4.44Å; L128-V173 HydrophobicContact CD1-CG1 4.18Å; L128-V173 HydrophobicContact CD2-CB 4.12Å; L128-V173 HydrophobicContact CD2-CG1 4.24Å; L128-V173 HydrophobicContact CD2-CG2 4.09Å; L128-V173 HydrophobicContact CG-CB 4.45Å; L128-V173 HydrophobicContact CG-CG1 4.25Å; L128-V173 HydrophobicContact CG-CG2 4.12Å; L169-V173 WeakPolarHBondContact O-CG2 3.27Å; R170-V173 WeakPolarHBondContact O-CB 3.2Å; R170-V173 PolarHBondContact O-N 3.02Å; R170-V173 VanDerWaalsContact O-N 3.14Å; F171-V173 VanDerWaalsContact C-N 3.26Å; F171-V173 PolarHBondContact O-N 2.89Å; V173-S177 VanDerWaalsContact O-CB 3.29Å; V173-S177 WeakPolarHBondContact O-CB 3.23Å; V173-S177 PolarHBondContact O-N 2.91Å; V173-L224 HydrophobicContact CG2-CD1 3.9Å; V173-L224 HydrophobicContact CG2-CD2 4.07Å
174	Q	95.3	Very high	94.7	Very high	27 Å²	27	46.5 Å²	46.5	13%	0.126	22%	0.218	C	C	.	.	H	α-helix	trans	-62.2	-52.1	175.2	-173.9	-179.3	-46.9	0	0	111.7	F28 V30 R170 F171 A176 S177 E178	F28-Q174 HydrophobicContact CD1-CB 3.99Å; F28-Q174 HydrophobicContact CD1-CG 4.49Å; F28-Q174 HydrophobicContact CE1-CB 4.14Å; V30-Q174 HydrophobicContact CG2-CB 3.96Å; R170-Q174 PolarHBondContact O-N 2.98Å; R170-Q174 VanDerWaalsContact O-N 3.12Å; F171-Q174 CarbonylContact O-C 3.12Å; F171-Q174 WeakPolarHBondContact O-CB 3.27Å; F171-Q174 PolarHBondContact O-N 3.4Å; Q174-A176 VanDerWaalsContact C-N 3.34Å; Q174-A176 PolarHBondContact O-N 3.38Å; Q174-S177 WeakPolarHBondContact O-CB 3.31Å; Q174-S177 PolarHBondContact O-N 3.49Å; Q174-S177 VanDerWaalsContact O-N 3.1Å; Q174-E178 WeakPolarHBondContact CG-OE1 3.31Å; Q174-E178 PolarHBondContact NE2-OE1 2.82Å; Q174-E178 WeakPolarHBondContact O-CG 3.25Å; Q174-E178 PolarHBondContact O-N 2.8Å
175	F	94.2	Very high	94.5	Very high	92 Å²	92	51.7 Å²	51.7	40%	0.404	25%	0.246	S	C	.	.	H	α-helix	trans	-61.5	-40.7	-179.6	-59.6	-34.2	0	0	0	112.3	F171 E178 A179	F171-F175 HydrophobicContact CB-CD2 4.29Å; F171-F175 HydrophobicContact CB-CE2 3.75Å; F171-F175 HydrophobicContact CB-CZ 4Å; F171-F175 HydrophobicContact CD1-CE1 4.29Å; F171-F175 AromaticContact CD1-CZ 3.93Å; F171-F175 HydrophobicContact CD1-CZ 3.93Å; F171-F175 HydrophobicContact CG-CZ 4.34Å; F171-F175 WeakPolarHBondContact O-CD2 3.26Å; F171-F175 WeakPolarHBondContact O-CG 3.46Å; F171-F175 PolarHBondContact O-N 3.03Å; F175-E178 PolarHBondContact O-N 3.3Å; F175-A179 WeakPolarHBondContact O-CB 3.26Å; F175-A179 PolarHBondContact O-N 3.38Å
176	A	94.1	Very high	94.4	Very high	8 Å²	8	56.4 Å²	56.4	7%	0.066	27%	0.271	C	S	.	.	H	α-helix	trans	-64.4	-42.4	174.1	0	0	0	0	0	111.4	F120 N172 Q174 E178 A179 L180 L224 M225	F120-A176 HydrophobicContact CE2-CB 3.53Å; F120-A176 HydrophobicContact CZ-CB 3.94Å; N172-A176 WeakPolarHBondContact O-CB 3.43Å; N172-A176 PolarHBondContact O-N 2.98Å; Q174-A176 VanDerWaalsContact C-N 3.34Å; Q174-A176 PolarHBondContact O-N 3.38Å; A176-E178 VanDerWaalsContact C-N 3.35Å; A176-E178 PolarHBondContact O-N 3.4Å; A176-A179 PolarHBondContact O-N 2.81Å; A176-L180 WeakPolarHBondContact O-CD1 3.31Å; A176-L180 WeakPolarHBondContact O-CG 3.41Å; A176-L180 PolarHBondContact O-N 3.1Å; A176-L180 VanDerWaalsContact O-N 3.13Å; A176-L224 HydrophobicContact CB-CD2 4.01Å; A176-L224 HydrophobicContact CB-CG 4.46Å; A176-M225 HydrophobicContact CB-SD 3.73Å
177	S	93.7	Very high	94.2	Very high	15 Å²	15	60.3 Å²	60.3	11%	0.105	30%	0.295	C	S	.	.	H	α-helix	trans	-59.2	-46.5	175.5	-173.2	0	0	0	0	111.2	V173 Q174 L180 R181	V173-S177 VanDerWaalsContact O-CB 3.29Å; V173-S177 WeakPolarHBondContact O-CB 3.23Å; V173-S177 PolarHBondContact O-N 2.91Å; Q174-S177 WeakPolarHBondContact O-CB 3.31Å; Q174-S177 PolarHBondContact O-N 3.49Å; Q174-S177 VanDerWaalsContact O-N 3.1Å; S177-L180 PolarHBondContact O-N 3.27Å; S177-R181 WeakPolarHBondContact O-CG 3.31Å
178	E	92.2	Very high	94.1	Very high	92 Å²	92	69.2 Å²	69.2	43%	0.43	34%	0.336	S	S	.	.	H	α-helix	trans	-60.7	-46.2	176.9	-72.1	171.5	-171.1	0	0	112.3	Q174 F175 A176 L180 R181	Q174-E178 WeakPolarHBondContact CG-OE1 3.31Å; Q174-E178 PolarHBondContact NE2-OE1 2.82Å; Q174-E178 WeakPolarHBondContact O-CG 3.25Å; Q174-E178 PolarHBondContact O-N 2.8Å; F175-E178 PolarHBondContact O-N 3.3Å; A176-E178 VanDerWaalsContact C-N 3.35Å; A176-E178 PolarHBondContact O-N 3.4Å; E178-L180 PolarHBondContact O-N 3.03Å; E178-R181 WeakPolarHBondContact O-CB 3.44Å; E178-R181 WeakPolarHBondContact O-CG 3.42Å; E178-R181 PolarHBondContact O-N 3.14Å; E178-R181 VanDerWaalsContact O-N 3.11Å
179	A	89.8	Confident	94	Very high	60 Å²	60	75 Å²	75	50%	0.496	37%	0.369	S	S	.	.	H	α-helix	trans	-61.8	-27.1	178	0	0	0	0	0	113.3	F175 A176 Y196	F175-A179 WeakPolarHBondContact O-CB 3.26Å; F175-A179 PolarHBondContact O-N 3.38Å; A176-A179 PolarHBondContact O-N 2.81Å; A179-Y196 PolarHBondContact O-OH 3.1Å
180	L	90.2	Very high	93.8	Very high	41 Å²	41	76.6 Å²	76.6	22%	0.215	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-1	179.3	-65.4	172	0	0	0	113.7	F120 A176 S177 E178 Y196	F120-L180 HydrophobicContact CB-CD1 3.99Å; F120-L180 HydrophobicContact CD1-CD1 4.01Å; F120-L180 HydrophobicContact CD2-CD1 3.66Å; F120-L180 HydrophobicContact CE1-CD1 4.45Å; F120-L180 HydrophobicContact CE2-CD1 4.15Å; F120-L180 HydrophobicContact CG-CD1 3.58Å; A176-L180 WeakPolarHBondContact O-CD1 3.31Å; A176-L180 WeakPolarHBondContact O-CG 3.41Å; A176-L180 PolarHBondContact O-N 3.1Å; A176-L180 VanDerWaalsContact O-N 3.13Å; S177-L180 PolarHBondContact O-N 3.27Å; E178-L180 PolarHBondContact O-N 3.03Å; L180-Y196 HydrophobicContact CD2-CD1 4.2Å; L180-Y196 HydrophobicContact CD2-CD2 3.39Å; L180-Y196 HydrophobicContact CD2-CE2 4.11Å; L180-Y196 HydrophobicContact CD2-CG 3.45Å; L180-Y196 VanDerWaalsContact CD2-CG 3.45Å
181	R	88.8	Confident	93.7	Very high	161 Å²	161	85.7 Å²	85.7	61%	0.608	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-21	-176.2	-67	180	74.6	177.3	2.1	114.5	S177 E178 K183	S177-R181 WeakPolarHBondContact O-CG 3.31Å; E178-R181 WeakPolarHBondContact O-CB 3.44Å; E178-R181 WeakPolarHBondContact O-CG 3.42Å; E178-R181 PolarHBondContact O-N 3.14Å; E178-R181 VanDerWaalsContact O-N 3.11Å; R181-K183 PolarHBondContact O-N 3.32Å
182	Y	87.8	Confident	93.6	Very high	144 Å²	144	88.8 Å²	88.8	57%	0.565	44%	0.439	S	S	*	.			trans	-57.7	128.9	-178.4	172.9	-104.7	0	0	0	110.9	P184 V194	Y182-P184 HydrophobicContact CE1-CB 4.44Å; Y182-V194 HydrophobicContact CD1-CG1 4.13Å; Y182-V194 WeakPolarHBondContact O-CG1 3.42Å
183	K	88.2	Confident	93.4	Very high	178 Å²	178	95.8 Å²	95.8	77%	0.774	47%	0.468	S	S	*	.			trans	-122.9	124.6	174	-68.2	-177.7	-178	178.6	0	108.6	R181	R181-K183 PolarHBondContact O-N 3.32Å
184	P	93.2	Very high	93.2	Very high	31 Å²	31	98.4 Å²	98.4	20%	0.201	48%	0.484	C	S	.	.	P	Polyproline II helix	trans	-63.6	153.5	173.6	28.7	-35.1	0	0	0	110.3	Y182 N186 N192	Y182-P184 HydrophobicContact CE1-CB 4.44Å; P184-N186 PolarHBondContact O-N 2.88Å; P184-N192 HydrophobicContact CB-CB 3.82Å; P184-N192 HydrophobicContact CG-CB 3.67Å
185	I	94.8	Very high	92.9	Very high	142 Å²	142	101.8 Å²	101.8	73%	0.728	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-67.6	131.8	178.9	-61	170.6	0	0	0	108.9	N192	I185-N192 PolarHBondContact O-ND2 3.4Å
186	N	95.8	Very high	92.8	Very high	98 Å²	98	102.8 Å²	102.8	52%	0.524	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-85.5	141.8	166.4	-69	-27.9	0	0	0	109.2	P184 A190 K191 N192	P184-N186 PolarHBondContact O-N 2.88Å; N186-A190 WeakPolarHBondContact CA-O 3.37Å; N186-K191 WeakPolarHBondContact OD1-CA 3.31Å; N186-N192 PolarHBondContact OD1-N 3.01Å; N186-N192 PolarHBondContact OD1-O 2.91Å
187	T	95.3	Very high	92.7	Very high	82 Å²	82	111.4 Å²	111.4	50%	0.503	54%	0.539	S	S	.	.			trans	-107	176	169.5	65.5	0	0	0	0	109.5	D189 A190	T187-D189 PolarHBondContact O-N 3.25Å; T187-A190 PolarHBondContact N-O 2.82Å; T187-A190 PolarHBondContact O-N 2.9Å; T187-A190 WeakPolarHBondContact OG1-CB 3.28Å; T187-A190 PolarHBondContact OG1-N 3.24Å; T187-A190 VanDerWaalsContact OG1-N 3.12Å
188	Q	95.4	Very high	92.8	Very high	193 Å²	193	111.2 Å²	111.2	90%	0.902	54%	0.538	S	S	*	.	S	Bend	trans	-58.2	-36	174.4	-173.6	169.1	2.8	0	0	112.1
189	D	96.1	Very high	93	Very high	155 Å²	155	109.4 Å²	109.4	83%	0.829	53%	0.531	S	S	*	.	S	Bend	trans	-96	-13.7	-175.6	-51.6	-51.2	0	0	0	113.8	T187	T187-D189 PolarHBondContact O-N 3.25Å
190	A	95.4	Very high	93.3	Very high	35 Å²	35	111.2 Å²	111.2	29%	0.289	53%	0.53	S	S	.	.			trans	-136.7	129.8	-173.2	0	0	0	0	0	113.8	N186 T187	N186-A190 WeakPolarHBondContact CA-O 3.37Å; T187-A190 PolarHBondContact N-O 2.82Å; T187-A190 PolarHBondContact O-N 2.9Å; T187-A190 WeakPolarHBondContact OG1-CB 3.28Å; T187-A190 PolarHBondContact OG1-N 3.24Å; T187-A190 VanDerWaalsContact OG1-N 3.12Å
191	K	95.5	Very high	93.7	Very high	201 Å²	201	109.3 Å²	109.3	87%	0.874	52%	0.52	S	S	*	.			trans	-97.3	110	164.3	-67.6	-176.6	-178.7	176.6	0	109	N186	N186-K191 WeakPolarHBondContact OD1-CA 3.31Å
192	N	95.9	Very high	94.1	Very high	78 Å²	78	101.7 Å²	101.7	42%	0.417	49%	0.491	S	S	.	.			trans	-98.1	146	-177.4	-66	-54.8	0	0	0	111.2	P184 I185 N186	P184-N192 HydrophobicContact CB-CB 3.82Å; P184-N192 HydrophobicContact CG-CB 3.67Å; I185-N192 PolarHBondContact O-ND2 3.4Å; N186-N192 PolarHBondContact OD1-N 3.01Å; N186-N192 PolarHBondContact OD1-O 2.91Å
193	K	93.1	Very high	94.7	Very high	179 Å²	179	95.6 Å²	95.6	78%	0.778	47%	0.467	S	S	*	.			trans	-143	139.1	175.8	-179.2	179	177.5	-175.4	0	109.9	V195	K193-V195 HydrophobicContact CD-CG2 4.38Å; K193-V195 HydrophobicContact CG-CG2 4.42Å
194	V	92.2	Very high	95.2	Very high	55 Å²	55	87.1 Å²	87.1	33%	0.333	43%	0.43	S	S	.	.			trans	-97.4	138.9	167.3	65.6	0	0	0	0	109.5	Y182 Y196	Y182-V194 HydrophobicContact CD1-CG1 4.13Å; Y182-V194 WeakPolarHBondContact O-CG1 3.42Å; V194-Y196 HydrophobicContact CB-CE2 4.45Å; V194-Y196 HydrophobicContact CG1-CD2 4.32Å; V194-Y196 HydrophobicContact CG1-CE2 3.69Å; V194-Y196 HydrophobicContact CG2-CD2 4.28Å; V194-Y196 HydrophobicContact CG2-CE2 3.89Å
195	V	90.2	Very high	95.4	Very high	98 Å²	98	85.6 Å²	85.6	59%	0.594	42%	0.421	S	S	*	.			trans	-122.6	110.5	172.4	-179	0	0	0	0	108	K193 R197	K193-V195 HydrophobicContact CD-CG2 4.38Å; K193-V195 HydrophobicContact CG-CG2 4.42Å; V195-R197 HydrophobicContact CG1-CG 4.04Å
196	Y	91.3	Very high	95.6	Very high	112 Å²	112	79.8 Å²	79.8	44%	0.439	39%	0.391	S	S	.	.			trans	-75.8	128.1	170	-65.6	-91.8	0	0	0	109	A179 L180 V194	A179-Y196 PolarHBondContact O-OH 3.1Å; L180-Y196 HydrophobicContact CD2-CD1 4.2Å; L180-Y196 HydrophobicContact CD2-CD2 3.39Å; L180-Y196 HydrophobicContact CD2-CE2 4.11Å; L180-Y196 HydrophobicContact CD2-CG 3.45Å; L180-Y196 VanDerWaalsContact CD2-CG 3.45Å; V194-Y196 HydrophobicContact CB-CE2 4.45Å; V194-Y196 HydrophobicContact CG1-CD2 4.32Å; V194-Y196 HydrophobicContact CG1-CE2 3.69Å; V194-Y196 HydrophobicContact CG2-CD2 4.28Å; V194-Y196 HydrophobicContact CG2-CE2 3.89Å
197	R	92.6	Very high	95.7	Very high	190 Å²	190	75.5 Å²	75.5	72%	0.717	37%	0.368	S	S	*	.			trans	-120.7	140.1	-176.9	-60.5	-175	-65.4	136.4	-1.1	109.7	V195 E200	V195-R197 HydrophobicContact CG1-CG 4.04Å; R197-E200 IonicContact NH1-OE1 3.53Å
198	A	95.3	Very high	95.9	Very high	11 Å²	11	72.2 Å²	72.2	9%	0.091	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-62.7	147.2	165.4	0	0	0	0	0	110.7	R112 G226	R112-A198 PolarHBondContact NH2-O 3.17Å; A198-G226 WeakPolarHBondContact CB-O 3.45Å
199	N	95.7	Very high	96	Very high	53 Å²	53	64.8 Å²	64.8	28%	0.283	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-60.6	140.4	178.7	-56.9	96.5	0	0	0	111.1	R112 G201 W203 N227 A279	R112-N199 PolarHBondContact NH1-O 2.92Å; R112-N199 VanDerWaalsContact NH2-C 3.34Å; R112-N199 PolarHBondContact NH2-O 3.39Å; N199-G201 PolarHBondContact O-N 2.8Å; N199-W203 WeakPolarHBondContact OD1-CZ2 3.5Å; N199-W203 PolarHBondContact OD1-NE1 3.01Å; N199-N227 PolarHBondContact N-OD1 2.85Å; N199-N227 PolarHBondContact OD1-OD1 3.36Å; N199-A279 HydrophobicContact CB-CB 3.78Å
200	E	96.5	Very high	96.1	Very high	99 Å²	99	57.7 Å²	57.7	46%	0.463	28%	0.275	S	S	.	.	S	Bend	trans	-70	125	174.3	-68.8	-179.1	-156.4	0	0	110.4	R197 A279 R305	R197-E200 IonicContact NH1-OE1 3.53Å; E200-A279 WeakPolarHBondContact O-CB 3.47Å; E200-R305 IonicContact OE2-CZ 3.71Å; E200-R305 IonicContact OE2-NE 3.69Å; E200-R305 IonicContact OE2-NH2 3.63Å
201	G	98.2	Very high	96.2	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.01	27%	0.269	C	S	.	.	S	Bend	trans	113.3	-154	-176.1	0	0	0	0	0	113	R112 N199 Q277	R112-G201 VanDerWaalsContact CD-O 3.29Å; R112-G201 WeakPolarHBondContact CD-O 3.28Å; N199-G201 PolarHBondContact O-N 2.8Å; G201-Q277 CarbonylContact C-O 3.52Å; G201-Q277 WeakPolarHBondContact CA-O 3.28Å
202	F	98.7	Very high	96.4	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	154.7	179.5	72.8	-84.6	0	0	0	111.8	I105 C108 V228 I230 I272 H275 Q277 L278 A279 G280	I105-F202 HydrophobicContact CB-CD1 4.49Å; I105-F202 HydrophobicContact CB-CE1 4.41Å; I105-F202 HydrophobicContact CD1-CE1 4.06Å; I105-F202 HydrophobicContact CD1-CE2 4.18Å; I105-F202 HydrophobicContact CD1-CZ 3.67Å; I105-F202 HydrophobicContact CG1-CD1 4.36Å; I105-F202 HydrophobicContact CG1-CD2 4.31Å; I105-F202 HydrophobicContact CG1-CE1 4.01Å; I105-F202 HydrophobicContact CG1-CE2 3.95Å; I105-F202 HydrophobicContact CG1-CZ 3.8Å; I105-F202 HydrophobicContact CG2-CD1 3.53Å; I105-F202 HydrophobicContact CG2-CE1 3.53Å; I105-F202 HydrophobicContact CG2-CG 4.23Å; I105-F202 HydrophobicContact CG2-CZ 4.21Å; C108-F202 HydrophobicContact CB-CB 4.22Å; F202-V228 HydrophobicContact CB-CG2 4.04Å; F202-I230 HydrophobicContact CD2-CG2 3.81Å; F202-I230 HydrophobicContact CE2-CG2 3.92Å; F202-I272 HydrophobicContact CE2-CB 4.12Å; F202-I272 HydrophobicContact CE2-CG2 4.12Å; F202-I272 HydrophobicContact CZ-CB 4.21Å; F202-I272 HydrophobicContact CZ-CG2 4.48Å; F202-H275 HydrophobicContact CE1-CB 3.92Å; F202-H275 AromaticContact CE1-CG 3.83Å; F202-H275 AromaticContact CE1-ND1 3.57Å; F202-H275 HydrophobicContact CZ-CB 4.06Å; F202-Q277 HydrophobicContact CD1-CB 4.35Å; F202-Q277 VanDerWaalsContact CD1-O 3.26Å; F202-Q277 WeakPolarHBondContact CD1-O 3.4Å; F202-Q277 PolarHBondContact N-O 3.1Å; F202-L278 HydrophobicContact CD2-CD1 4.41Å; F202-L278 HydrophobicContact CE1-CB 4.33Å; F202-L278 HydrophobicContact CE2-CD1 3.74Å; F202-L278 HydrophobicContact CZ-CB 4.19Å; F202-L278 HydrophobicContact CZ-CD1 3.83Å; F202-A279 WeakPolarHBondContact O-CA 3.05Å; F202-A279 VanDerWaalsContact O-CB 3.28Å; F202-A279 WeakPolarHBondContact O-CB 3.38Å; F202-A279 PolarHBondContact O-N 2.89Å; F202-G280 PolarHBondContact O-N 3.23Å
203	W	98.8	Very high	96.5	Very high	16 Å²	16	44.4 Å²	44.4	6%	0.061	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	145	171.4	-78.6	68.9	0	0	0	110.7	N199 P222 N227 V228 V229 I230 G280 N282 R309 I311	N199-W203 WeakPolarHBondContact OD1-CZ2 3.5Å; N199-W203 PolarHBondContact OD1-NE1 3.01Å; W203-P222 HydrophobicContact CB-CB 4.27Å; W203-P222 HydrophobicContact CD2-CB 4.05Å; W203-P222 HydrophobicContact CD2-CG 4.34Å; W203-P222 HydrophobicContact CE3-CB 4.36Å; W203-P222 HydrophobicContact CE3-CG 4.14Å; W203-P222 HydrophobicContact CG-CB 4.03Å; W203-N227 VanDerWaalsContact CD1-CB 3.45Å; W203-N227 VanDerWaalsContact CD1-CG 3.49Å; W203-N227 HydrophobicContact CG-CB 4.23Å; W203-N227 PolarHBondContact NE1-OD1 2.74Å; W203-N227 VanDerWaalsContact NE1-OD1 3.08Å; W203-V228 PolarHBondContact N-O 3.23Å; W203-V229 HydrophobicContact CB-CG2 4.25Å; W203-V229 CarbonylContact O-C 3.56Å; W203-V229 VanDerWaalsContact O-CA 3.26Å; W203-V229 WeakPolarHBondContact O-CA 3.13Å; W203-I230 PolarHBondContact O-N 3.11Å; W203-G280 CarbonylContact C-O 3.57Å; W203-G280 VanDerWaalsContact CA-O 3.24Å; W203-G280 WeakPolarHBondContact CA-O 3.41Å; W203-N282 HydrophobicContact CE3-CB 4.35Å; W203-N282 HydrophobicContact CZ3-CB 4.48Å; W203-R309 HydrophobicContact CH2-CB 3.6Å; W203-R309 HydrophobicContact CH2-CG 4.36Å; W203-R309 HydrophobicContact CZ2-CB 3.95Å; W203-R309 HydrophobicContact CZ2-CG 4.28Å; W203-R309 HydrophobicContact CZ3-CB 4.39Å; W203-I311 HydrophobicContact CH2-CD1 4.19Å; W203-I311 HydrophobicContact CZ3-CD1 4.18Å
204	A	98.8	Very high	96.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	123.1	167.1	0	0	0	0	0	110.2	I230 F268 I272 G280 I281 N282	A204-I230 CarbonylContact C-O 3.54Å; A204-I230 WeakPolarHBondContact CA-O 3.41Å; A204-I230 HydrophobicContact CB-CG2 3.97Å; A204-F268 HydrophobicContact CB-CE1 4.19Å; A204-F268 HydrophobicContact CB-CZ 4.39Å; A204-I272 HydrophobicContact CB-CD1 3.46Å; A204-I272 VanDerWaalsContact CB-CD1 3.46Å; A204-I272 HydrophobicContact CB-CG2 4.46Å; A204-G280 PolarHBondContact N-O 3.12Å; A204-I281 HydrophobicContact CB-CG1 4.3Å; A204-I281 WeakPolarHBondContact O-CA 3Å; A204-N282 PolarHBondContact O-N 2.64Å
205	A	98.8	Very high	97	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	118.3	169.2	0	0	0	0	0	108.7	L218 A219 V229 I230 W231 K232 N282	A205-L218 HydrophobicContact CB-CB 4.16Å; A205-A219 HydrophobicContact CB-CB 4.16Å; A205-V229 HydrophobicContact CB-CG1 3.58Å; A205-I230 PolarHBondContact N-O 3.27Å; A205-W231 HydrophobicContact CB-CB 4.28Å; A205-W231 HydrophobicContact CB-CG 4.33Å; A205-W231 CarbonylContact O-C 3.54Å; A205-W231 WeakPolarHBondContact O-CA 3.34Å; A205-K232 PolarHBondContact O-N 3.13Å; A205-N282 WeakPolarHBondContact CA-O 3.31Å
206	I	98.7	Very high	97.4	Very high	20 Å²	20	29.9 Å²	29.9	10%	0.103	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	102.7	178.6	-58.5	169.9	0	0	0	107.1	L218 F268 I272 I281 N282 F283 T284 I293	I206-L218 VanDerWaalsContact O-CD2 3.27Å; I206-L218 WeakPolarHBondContact O-CD2 3.37Å; I206-F268 HydrophobicContact CD1-CD1 4.27Å; I206-F268 HydrophobicContact CD1-CE1 4.08Å; I206-F268 HydrophobicContact CG1-CD1 4.25Å; I206-F268 HydrophobicContact CG1-CE1 3.75Å; I206-I272 HydrophobicContact CD1-CD1 4.13Å; I206-I281 HydrophobicContact CD1-CG2 4.15Å; I206-N282 PolarHBondContact N-O 3.09Å; I206-F283 HydrophobicContact CB-CD2 3.81Å; I206-F283 HydrophobicContact CB-CE2 4.48Å; I206-F283 HydrophobicContact CD1-CD2 4.33Å; I206-F283 HydrophobicContact CG2-CD2 3.75Å; I206-F283 HydrophobicContact CG2-CE2 3.92Å; I206-T284 PolarHBondContact O-N 2.97Å; I206-T284 VanDerWaalsContact O-N 3.14Å; I206-I293 HydrophobicContact CD1-CD1 4.02Å
207	S	98.3	Very high	97.8	Very high	7 Å²	7	25.8 Å²	25.8	5%	0.049	12%	0.119	C	C	.	.			trans	-99.4	152	-169.1	61.9	0	0	0	0	113.8	A215 W231 K232 P233	S207-A215 VanDerWaalsContact CB-CA 3.5Å; S207-W231 PolarHBondContact OG-NE1 2.74Å; S207-K232 PolarHBondContact N-O 3.45Å; S207-P233 WeakPolarHBondContact OG-CA 3.48Å
208	P	97.8	Very high	98.1	Very high	14 Å²	14	17 Å²	17	9%	0.091	9%	0.086	C	C	.	.			trans	-82.8	176.3	-179.4	37.5	-33.8	0	0	0	110.6	N210 I214 S237 T284	P208-N210 VanDerWaalsContact CB-OD1 3.27Å; P208-N210 WeakPolarHBondContact CB-OD1 3.47Å; P208-N210 WeakPolarHBondContact CG-OD1 3.46Å; P208-I214 HydrophobicContact CG-CB 4.49Å; P208-I214 HydrophobicContact CG-CG2 3.81Å; P208-S237 PolarHBondContact O-OG 2.92Å; P208-T284 HydrophobicContact CB-CG2 4.3Å; P208-T284 HydrophobicContact CG-CG2 3.81Å
209	F	98.3	Very high	98.2	Very high	37 Å²	37	16.4 Å²	16.4	16%	0.162	8%	0.081	C	C	.	.	S	Bend	trans	-85.1	-23.6	174.8	72.7	-96.8	0	0	0	113.7	Q150 T236 S237 Q345 I390 F447	Q150-F209 PolarHBondContact NE2-O 2.8Å; F209-T236 WeakPolarHBondContact CB-OG1 3.19Å; F209-S237 WeakPolarHBondContact CA-OG 3.43Å; F209-Q345 HydrophobicContact CE2-CB 4.2Å; F209-Q345 HydrophobicContact CZ-CB 4.29Å; F209-Q345 HydrophobicContact CZ-CG 4.49Å; F209-I390 HydrophobicContact CB-CG1 4.21Å; F209-I390 HydrophobicContact CD1-CG2 4.27Å; F209-I390 HydrophobicContact CD2-CB 3.7Å; F209-I390 HydrophobicContact CD2-CD1 3.72Å; F209-I390 HydrophobicContact CD2-CG1 3.42Å; F209-I390 VanDerWaalsContact CD2-CG1 3.42Å; F209-I390 HydrophobicContact CD2-CG2 3.98Å; F209-I390 HydrophobicContact CE1-CG2 3.95Å; F209-I390 HydrophobicContact CE2-CB 3.53Å; F209-I390 HydrophobicContact CE2-CD1 4.31Å; F209-I390 HydrophobicContact CE2-CG1 3.84Å; F209-I390 HydrophobicContact CE2-CG2 3.64Å; F209-I390 HydrophobicContact CG-CB 4.35Å; F209-I390 HydrophobicContact CG-CD1 4.41Å; F209-I390 HydrophobicContact CG-CG1 3.85Å; F209-I390 HydrophobicContact CG-CG2 4.28Å; F209-I390 HydrophobicContact CZ-CB 4.05Å; F209-I390 HydrophobicContact CZ-CG2 3.6Å; F209-F447 HydrophobicContact CE1-CD1 4.25Å; F209-F447 AromaticContact CE1-CE1 3.9Å; F209-F447 HydrophobicContact CE1-CE1 3.9Å; F209-F447 HydrophobicContact CE2-CE1 4.27Å; F209-F447 AromaticContact CZ-CD1 3.81Å; F209-F447 HydrophobicContact CZ-CD1 3.81Å; F209-F447 AromaticContact CZ-CE1 3.44Å; F209-F447 HydrophobicContact CZ-CE1 3.44Å; F209-F447 VanDerWaalsContact CZ-CE1 3.44Å
210	N	98	Very high	98.4	Very high	5 Å²	5	14 Å²	14	3%	0.027	7%	0.068	C	C	.	.	S	Bend	trans	-79.8	-24.9	-158.4	65.5	-33.9	0	0	0	113.8	K152 P208 Y342 Q345 F447	K152-N210 WeakPolarHBondContact CE-O 3.29Å; K152-N210 PolarHBondContact NZ-O 3.2Å; P208-N210 VanDerWaalsContact CB-OD1 3.27Å; P208-N210 WeakPolarHBondContact CB-OD1 3.47Å; P208-N210 WeakPolarHBondContact CG-OD1 3.46Å; N210-Y342 HydrophobicContact CB-CE1 3.95Å; N210-Y342 WeakPolarHBondContact O-CE1 3.41Å; N210-Q345 WeakPolarHBondContact CB-O 3.34Å; N210-F447 HydrophobicContact CB-CE1 4.27Å; N210-F447 HydrophobicContact CB-CZ 4.25Å
211	F	98.3	Very high	98.4	Very high	36 Å²	36	10.5 Å²	10.5	16%	0.158	6%	0.056	C	C	.	.			trans	-137.9	122.4	179.6	-82.2	-110.2	0	0	0	111.6	D160 E164 A213 I214 A215 K346	D160-F211 HydrophobicContact CB-CD1 3.86Å; D160-F211 HydrophobicContact CB-CE1 4.14Å; D160-F211 WeakPolarHBondContact OD1-CA 3.38Å; D160-F211 WeakPolarHBondContact OD1-CD1 3.46Å; D160-F211 WeakPolarHBondContact OD2-CA 3.36Å; E164-F211 WeakPolarHBondContact OE2-CD1 3.2Å; E164-F211 WeakPolarHBondContact OE2-CE1 3.35Å; F211-A213 VanDerWaalsContact C-N 3.31Å; F211-I214 HydrophobicContact CB-CB 3.82Å; F211-I214 HydrophobicContact CB-CD1 3.78Å; F211-I214 HydrophobicContact CB-CG1 3.66Å; F211-I214 HydrophobicContact CD2-CD1 4.43Å; F211-I214 HydrophobicContact CG-CD1 4.06Å; F211-I214 HydrophobicContact CG-CG1 4.3Å; F211-I214 PolarHBondContact O-N 2.85Å; F211-A215 PolarHBondContact O-N 3.2Å; F211-K346 HydrophobicContact CE2-CG 4.31Å
212	T	98.8	Very high	98.4	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-65.7	-37.5	174	-57.1	0	0	0	0	110.6	T146 Q150 D160 A161 A215 G216 S240 V244	T146-T212 PolarHBondContact OG1-OG1 3.31Å; Q150-T212 PolarHBondContact NE2-OG1 3.1Å; Q150-T212 PolarHBondContact OE1-OG1 3.16Å; Q150-T212 VanDerWaalsContact OE1-OG1 3.07Å; D160-T212 PolarHBondContact OD1-N 2.98Å; D160-T212 PolarHBondContact OD2-N 2.9Å; D160-T212 VanDerWaalsContact OD2-N 3.13Å; A161-T212 HydrophobicContact CB-CG2 4.28Å; T212-A215 PolarHBondContact O-N 2.97Å; T212-G216 PolarHBondContact O-N 3.31Å; T212-S240 PolarHBondContact OG1-OG 3.33Å; T212-V244 HydrophobicContact CG2-CG2 3.76Å
213	A	98.6	Very high	98.4	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-59.8	-48.7	175.7	0	0	0	0	0	112.8	D160 E164 L165 F168 F211 A215 G216 N217	D160-A213 WeakPolarHBondContact O-CB 3.42Å; D160-A213 WeakPolarHBondContact OD1-CB 3.48Å; D160-A213 PolarHBondContact OD1-N 3.5Å; E164-A213 HydrophobicContact CB-CB 3.84Å; E164-A213 HydrophobicContact CG-CB 3.76Å; L165-A213 HydrophobicContact CB-CB 3.99Å; F168-A213 HydrophobicContact CD2-CB 3.93Å; F168-A213 HydrophobicContact CE2-CB 3.95Å; F211-A213 VanDerWaalsContact C-N 3.31Å; A213-A215 VanDerWaalsContact C-N 3.3Å; A213-A215 PolarHBondContact O-N 3.41Å; A213-G216 PolarHBondContact O-N 2.78Å; A213-N217 VanDerWaalsContact O-CB 3.31Å; A213-N217 WeakPolarHBondContact O-CB 3.39Å; A213-N217 PolarHBondContact O-N 2.88Å
214	I	97.8	Very high	98.4	Very high	26 Å²	26	10.3 Å²	10.3	13%	0.133	6%	0.057	C	C	.	.	H	α-helix	trans	-58.9	-46.3	177.2	-68.3	-177.1	0	0	0	109.3	F168 P208 F211 G216 N217 L218 T284	F168-I214 HydrophobicContact CE2-CG1 4.4Å; P208-I214 HydrophobicContact CG-CB 4.49Å; P208-I214 HydrophobicContact CG-CG2 3.81Å; F211-I214 HydrophobicContact CB-CB 3.82Å; F211-I214 HydrophobicContact CB-CD1 3.78Å; F211-I214 HydrophobicContact CB-CG1 3.66Å; F211-I214 HydrophobicContact CD2-CD1 4.43Å; F211-I214 HydrophobicContact CG-CD1 4.06Å; F211-I214 HydrophobicContact CG-CG1 4.3Å; F211-I214 PolarHBondContact O-N 2.85Å; I214-G216 PolarHBondContact O-N 3.29Å; I214-N217 WeakPolarHBondContact O-CB 3.28Å; I214-N217 PolarHBondContact O-N 3.48Å; I214-N217 VanDerWaalsContact O-N 3.14Å; I214-L218 HydrophobicContact CB-CD1 4.47Å; I214-L218 HydrophobicContact CG2-CD1 3.36Å; I214-L218 WeakPolarHBondContact O-CD1 3.35Å; I214-L218 PolarHBondContact O-N 3.01Å; I214-T284 HydrophobicContact CG2-CG2 4.2Å
215	A	98.6	Very high	98.4	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-59.1	-46.4	179.7	0	0	0	0	0	113	S207 F211 T212 A213 N217 L218 W231 N241	S207-A215 VanDerWaalsContact CB-CA 3.5Å; F211-A215 PolarHBondContact O-N 3.2Å; T212-A215 PolarHBondContact O-N 2.97Å; A213-A215 VanDerWaalsContact C-N 3.3Å; A213-A215 PolarHBondContact O-N 3.41Å; A215-N217 PolarHBondContact O-N 3.09Å; A215-L218 PolarHBondContact O-N 2.96Å; A215-W231 HydrophobicContact CB-CZ2 3.8Å; A215-W231 WeakPolarHBondContact O-CZ2 3.46Å; A215-N241 WeakPolarHBondContact CB-OD1 3.35Å
216	G	98.6	Very high	98.3	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-63.6	-38	173.8	0	0	0	0	0	113.4	T212 A213 I214 S220	T212-G216 PolarHBondContact O-N 3.31Å; A213-G216 PolarHBondContact O-N 2.78Å; I214-G216 PolarHBondContact O-N 3.29Å; G216-S220 VanDerWaalsContact O-CB 3.27Å; G216-S220 WeakPolarHBondContact O-CB 3.14Å; G216-S220 PolarHBondContact O-N 3.32Å; G216-S220 PolarHBondContact O-OG 3.29Å
217	N	98.4	Very high	98.3	Very high	27 Å²	27	13 Å²	13	14%	0.144	7%	0.07	C	C	.	.	H	α-helix	trans	-65.1	-43.6	177.7	-177.9	46.6	0	0	0	112	F168 N172 A213 I214 A215 A219 S220 A221	F168-N217 HydrophobicContact CB-CB 4.08Å; F168-N217 HydrophobicContact CD1-CB 4.17Å; F168-N217 HydrophobicContact CD2-CB 3.69Å; F168-N217 HydrophobicContact CE2-CB 4.12Å; F168-N217 HydrophobicContact CG-CB 3.73Å; N172-N217 PolarHBondContact ND2-OD1 3.1Å; A213-N217 VanDerWaalsContact O-CB 3.31Å; A213-N217 WeakPolarHBondContact O-CB 3.39Å; A213-N217 PolarHBondContact O-N 2.88Å; I214-N217 WeakPolarHBondContact O-CB 3.28Å; I214-N217 PolarHBondContact O-N 3.48Å; I214-N217 VanDerWaalsContact O-N 3.14Å; A215-N217 PolarHBondContact O-N 3.09Å; N217-A219 PolarHBondContact O-N 3.18Å; N217-S220 WeakPolarHBondContact CA-OG 3.38Å; N217-S220 PolarHBondContact O-N 3.5Å; N217-S220 PolarHBondContact O-OG 2.86Å; N217-A221 VanDerWaalsContact O-CB 3.31Å; N217-A221 WeakPolarHBondContact O-CB 3.32Å; N217-A221 PolarHBondContact O-N 3.05Å
218	L	98.2	Very high	98.4	Very high	4 Å²	4	12.7 Å²	12.7	2%	0.021	7%	0.068	C	C	.	.	H	α-helix	trans	-59.6	-36.2	-178	-93.2	76.1	0	0	0	112.3	A205 I206 I214 A215 P222 N282	A205-L218 HydrophobicContact CB-CB 4.16Å; I206-L218 VanDerWaalsContact O-CD2 3.27Å; I206-L218 WeakPolarHBondContact O-CD2 3.37Å; I214-L218 HydrophobicContact CB-CD1 4.47Å; I214-L218 HydrophobicContact CG2-CD1 3.36Å; I214-L218 WeakPolarHBondContact O-CD1 3.35Å; I214-L218 PolarHBondContact O-N 3.01Å; A215-L218 PolarHBondContact O-N 2.96Å; L218-P222 WeakPolarHBondContact O-CD 3.49Å; L218-N282 WeakPolarHBondContact CA-ND2 3.11Å; L218-N282 WeakPolarHBondContact CD2-O 3.22Å; L218-N282 HydrophobicContact CG-CB 4.49Å; L218-N282 PolarHBondContact O-ND2 3.2Å
219	A	98.7	Very high	98.4	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-82.7	-42.7	177.6	0	0	0	0	0	112.9	A205 N217 A223 W231 I258	A205-A219 HydrophobicContact CB-CB 4.16Å; N217-A219 PolarHBondContact O-N 3.18Å; A219-A223 WeakPolarHBondContact O-CB 3.34Å; A219-W231 HydrophobicContact CB-CB 4.12Å; A219-W231 HydrophobicContact CB-CD2 3.71Å; A219-W231 HydrophobicContact CB-CE3 3.75Å; A219-W231 HydrophobicContact CB-CG 3.87Å; A219-W231 HydrophobicContact CB-CZ3 4.43Å; A219-I258 HydrophobicContact CB-CD1 4.15Å; A219-I258 HydrophobicContact CB-CG2 4.29Å
220	S	98.8	Very high	98.4	Very high	2 Å²	2	10.2 Å²	10.2	1%	0.014	6%	0.055	C	C	.	.	H	α-helix	trans	-75.8	-34.8	-174.8	59	0	0	0	0	113.8	F127 G216 N217 A223 L224	F127-S220 VanDerWaalsContact CE1-CB 3.49Å; G216-S220 VanDerWaalsContact O-CB 3.27Å; G216-S220 WeakPolarHBondContact O-CB 3.14Å; G216-S220 PolarHBondContact O-N 3.32Å; G216-S220 PolarHBondContact O-OG 3.29Å; N217-S220 WeakPolarHBondContact CA-OG 3.38Å; N217-S220 PolarHBondContact O-N 3.5Å; N217-S220 PolarHBondContact O-OG 2.86Å; S220-A223 PolarHBondContact O-N 3Å; S220-L224 WeakPolarHBondContact O-CB 3.49Å; S220-L224 PolarHBondContact O-N 3.09Å
221	A	98.1	Very high	98.5	Very high	25 Å²	25	10 Å²	10	21%	0.207	5%	0.054	C	C	.	.	H	α-helix	trans	-63.3	-48.1	-175.7	0	0	0	0	0	113.4	N217 A223 L224 M225	N217-A221 VanDerWaalsContact O-CB 3.31Å; N217-A221 WeakPolarHBondContact O-CB 3.32Å; N217-A221 PolarHBondContact O-N 3.05Å; A221-A223 VanDerWaalsContact C-N 3.31Å; A221-A223 PolarHBondContact O-N 3.5Å; A221-L224 PolarHBondContact O-N 2.91Å; A221-M225 PolarHBondContact O-N 3.46Å
222	P	98.2	Very high	98.5	Very high	9 Å²	9	9.4 Å²	9.4	6%	0.058	5%	0.052	C	C	.	.	H	α-helix	trans	-63.7	-37.3	172.8	-20.9	33.1	0	0	0	112.3	W203 L218 M225 G226 N227 V229 N282	W203-P222 HydrophobicContact CB-CB 4.27Å; W203-P222 HydrophobicContact CD2-CB 4.05Å; W203-P222 HydrophobicContact CD2-CG 4.34Å; W203-P222 HydrophobicContact CE3-CB 4.36Å; W203-P222 HydrophobicContact CE3-CG 4.14Å; W203-P222 HydrophobicContact CG-CB 4.03Å; L218-P222 WeakPolarHBondContact O-CD 3.49Å; P222-M225 PolarHBondContact O-N 3.35Å; P222-G226 PolarHBondContact O-N 3.25Å; P222-N227 HydrophobicContact CB-CB 4.13Å; P222-N227 VanDerWaalsContact O-CB 3.24Å; P222-N227 WeakPolarHBondContact O-CB 3.14Å; P222-N227 PolarHBondContact O-N 3.12Å; P222-N227 PolarHBondContact O-ND2 3.22Å; P222-V229 HydrophobicContact CB-CG2 3.94Å; P222-V229 HydrophobicContact CG-CG2 4.48Å; P222-N282 HydrophobicContact CG-CB 4.43Å
223	A	98.8	Very high	98.5	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-65.7	-39.5	-179.6	0	0	0	0	0	112.4	W115 F127 A219 S220 A221 M225 G226 N227 V229 V257 I258	W115-A223 PolarHBondContact NE1-O 2.91Å; F127-A223 HydrophobicContact CE2-CB 4.41Å; F127-A223 HydrophobicContact CZ-CB 3.7Å; A219-A223 WeakPolarHBondContact O-CB 3.34Å; S220-A223 PolarHBondContact O-N 3Å; A221-A223 VanDerWaalsContact C-N 3.31Å; A221-A223 PolarHBondContact O-N 3.5Å; A223-M225 PolarHBondContact O-N 2.94Å; A223-G226 PolarHBondContact O-N 3.26Å; A223-N227 WeakPolarHBondContact CA-O 3.47Å; A223-V229 HydrophobicContact CB-CG2 4.2Å; A223-V257 HydrophobicContact CB-CG1 4.27Å; A223-I258 HydrophobicContact CB-CD1 3.95Å; A223-I258 HydrophobicContact CB-CG1 4.03Å
224	L	98.5	Very high	98.5	Very high	5 Å²	5	10.6 Å²	10.6	3%	0.026	6%	0.06	C	C	.	.	H	α-helix	trans	-57.1	-37	172.3	174.8	64.5	0	0	0	112	F120 R123 A124 F127 N172 V173 A176 S220 A221 G226	F120-L224 HydrophobicContact CE2-CD1 4.06Å; F120-L224 HydrophobicContact CE2-CG 4.47Å; R123-L224 PolarHBondContact NE-O 3.39Å; A124-L224 HydrophobicContact CB-CD1 4.42Å; F127-L224 HydrophobicContact CD2-CB 3.94Å; F127-L224 HydrophobicContact CD2-CD1 3.78Å; F127-L224 HydrophobicContact CD2-CG 4.44Å; F127-L224 HydrophobicContact CE2-CB 3.9Å; F127-L224 HydrophobicContact CE2-CD1 4.38Å; N172-L224 HydrophobicContact CB-CD2 3.79Å; N172-L224 WeakPolarHBondContact O-CD2 3.23Å; V173-L224 HydrophobicContact CG2-CD1 3.9Å; V173-L224 HydrophobicContact CG2-CD2 4.07Å; A176-L224 HydrophobicContact CB-CD2 4.01Å; A176-L224 HydrophobicContact CB-CG 4.46Å; S220-L224 WeakPolarHBondContact O-CB 3.49Å; S220-L224 PolarHBondContact O-N 3.09Å; A221-L224 PolarHBondContact O-N 2.91Å; L224-G226 PolarHBondContact O-N 2.49Å
225	M	97.5	Very high	98.5	Very high	71 Å²	71	11.3 Å²	11.3	35%	0.35	6%	0.064	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	6.8	176.7	-61.2	-53.2	-67.2	0	0	113.8	A176 A221 P222 A223	A176-M225 HydrophobicContact CB-SD 3.73Å; A221-M225 PolarHBondContact O-N 3.46Å; P222-M225 PolarHBondContact O-N 3.35Å; A223-M225 PolarHBondContact O-N 2.94Å
226	G	98.1	Very high	98.5	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	9.7	176.3	0	0	0	0	0	114.3	S116 A198 P222 A223 L224	S116-G226 WeakPolarHBondContact CA-O 3.24Å; A198-G226 WeakPolarHBondContact CB-O 3.45Å; P222-G226 PolarHBondContact O-N 3.25Å; A223-G226 PolarHBondContact O-N 3.26Å; L224-G226 PolarHBondContact O-N 2.49Å
227	N	98.7	Very high	98.5	Very high	5 Å²	5	12.6 Å²	12.6	3%	0.027	7%	0.072	C	C	.	.			trans	-79.2	165.4	170.7	-55.9	-77	0	0	0	110.6	W115 N199 W203 P222 A223	W115-N227 PolarHBondContact NE1-O 3.32Å; N199-N227 PolarHBondContact N-OD1 2.85Å; N199-N227 PolarHBondContact OD1-OD1 3.36Å; W203-N227 VanDerWaalsContact CD1-CB 3.45Å; W203-N227 VanDerWaalsContact CD1-CG 3.49Å; W203-N227 HydrophobicContact CG-CB 4.23Å; W203-N227 PolarHBondContact NE1-OD1 2.74Å; W203-N227 VanDerWaalsContact NE1-OD1 3.08Å; P222-N227 HydrophobicContact CB-CB 4.13Å; P222-N227 VanDerWaalsContact O-CB 3.24Å; P222-N227 WeakPolarHBondContact O-CB 3.14Å; P222-N227 PolarHBondContact O-N 3.12Å; P222-N227 PolarHBondContact O-ND2 3.22Å; A223-N227 WeakPolarHBondContact CA-O 3.47Å
228	V	98.9	Very high	98.5	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	7%	0.065	C	C	.	.			trans	-111.2	146.7	170.9	-68	0	0	0	0	108.8	C108 A111 R112 F202 W203 V257	C108-V228 HydrophobicContact CB-CB 3.86Å; C108-V228 HydrophobicContact CB-CG2 3.67Å; C108-V228 WeakPolarHBondContact O-CG1 3.25Å; C108-V228 WeakPolarHBondContact O-CG2 3.44Å; A111-V228 HydrophobicContact CB-CG1 4.36Å; R112-V228 HydrophobicContact CB-CB 4.5Å; R112-V228 HydrophobicContact CB-CG1 3.8Å; R112-V228 HydrophobicContact CB-CG2 3.88Å; F202-V228 HydrophobicContact CB-CG2 4.04Å; W203-V228 PolarHBondContact N-O 3.23Å; V228-V257 CarbonylContact C-O 3.59Å; V228-V257 VanDerWaalsContact CA-O 3.31Å; V228-V257 WeakPolarHBondContact CA-O 3.32Å
229	V	98.9	Very high	98.5	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	131	-164.9	-171.3	0	0	0	0	111.5	C108 W203 A205 P222 A223 V257 I258 N259	C108-V229 PolarHBondContact SG-O 3.5Å; W203-V229 HydrophobicContact CB-CG2 4.25Å; W203-V229 CarbonylContact O-C 3.56Å; W203-V229 VanDerWaalsContact O-CA 3.26Å; W203-V229 WeakPolarHBondContact O-CA 3.13Å; A205-V229 HydrophobicContact CB-CG1 3.58Å; P222-V229 HydrophobicContact CB-CG2 3.94Å; P222-V229 HydrophobicContact CG-CG2 4.48Å; A223-V229 HydrophobicContact CB-CG2 4.2Å; V229-V257 PolarHBondContact N-O 2.62Å; V229-I258 HydrophobicContact CB-CG1 4.21Å; V229-I258 CarbonylContact O-C 3.59Å; V229-I258 VanDerWaalsContact O-CA 3.25Å; V229-I258 WeakPolarHBondContact O-CA 3.45Å; V229-N259 PolarHBondContact O-N 2.77Å
230	I	98.8	Very high	98.5	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	117.8	160.5	-172.6	175.7	0	0	0	108.3	I101 A104 F202 W203 A204 A205 V261 F268 I272	I101-I230 HydrophobicContact CG2-CD1 3.85Å; A104-I230 HydrophobicContact CB-CD1 3.7Å; A104-I230 HydrophobicContact CB-CG1 4.26Å; F202-I230 HydrophobicContact CD2-CG2 3.81Å; F202-I230 HydrophobicContact CE2-CG2 3.92Å; W203-I230 PolarHBondContact O-N 3.11Å; A204-I230 CarbonylContact C-O 3.54Å; A204-I230 WeakPolarHBondContact CA-O 3.41Å; A204-I230 HydrophobicContact CB-CG2 3.97Å; A205-I230 PolarHBondContact N-O 3.27Å; I230-V261 HydrophobicContact CD1-CB 4.21Å; I230-V261 HydrophobicContact CD1-CG1 4.32Å; I230-V261 HydrophobicContact CD1-CG2 3.94Å; I230-V261 HydrophobicContact CG1-CB 3.98Å; I230-V261 HydrophobicContact CG1-CG2 3.62Å; I230-F268 HydrophobicContact CD1-CE2 3.56Å; I230-F268 HydrophobicContact CD1-CZ 4.1Å; I230-F268 HydrophobicContact CG1-CE2 3.78Å; I230-F268 HydrophobicContact CG1-CZ 4Å; I230-F268 HydrophobicContact CG2-CE2 4.46Å; I230-F268 HydrophobicContact CG2-CZ 3.94Å; I230-I272 HydrophobicContact CG2-CG2 4.31Å
231	W	98.9	Very high	98.6	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	111.6	-175.7	178.4	16.4	0	0	0	110.6	A205 S207 A215 A219 P233 N241 V244 F248 I258 N259 F260 V261	A205-W231 HydrophobicContact CB-CB 4.28Å; A205-W231 HydrophobicContact CB-CG 4.33Å; A205-W231 CarbonylContact O-C 3.54Å; A205-W231 WeakPolarHBondContact O-CA 3.34Å; S207-W231 PolarHBondContact OG-NE1 2.74Å; A215-W231 HydrophobicContact CB-CZ2 3.8Å; A215-W231 WeakPolarHBondContact O-CZ2 3.46Å; A219-W231 HydrophobicContact CB-CB 4.12Å; A219-W231 HydrophobicContact CB-CD2 3.71Å; A219-W231 HydrophobicContact CB-CE3 3.75Å; A219-W231 HydrophobicContact CB-CG 3.87Å; A219-W231 HydrophobicContact CB-CZ3 4.43Å; W231-P233 VanDerWaalsContact O-CD 3.31Å; W231-P233 WeakPolarHBondContact O-CD 3.4Å; W231-N241 HydrophobicContact CH2-CB 3.88Å; W231-N241 VanDerWaalsContact CH2-O 3.25Å; W231-N241 WeakPolarHBondContact CH2-O 3.39Å; W231-N241 HydrophobicContact CZ2-CB 3.62Å; W231-V244 HydrophobicContact CH2-CB 4.1Å; W231-V244 HydrophobicContact CH2-CG1 4.07Å; W231-V244 HydrophobicContact CZ3-CG1 4.39Å; W231-F248 HydrophobicContact CZ3-CE2 4.39Å; W231-I258 HydrophobicContact CB-CG2 4.09Å; W231-I258 HydrophobicContact CE3-CG2 4.22Å; W231-N259 PolarHBondContact N-O 2.82Å; W231-F260 AromaticContact CD2-CD2 3.9Å; W231-F260 HydrophobicContact CD2-CD2 3.9Å; W231-F260 HydrophobicContact CD2-CE2 4.14Å; W231-F260 AromaticContact CE3-CD2 3.62Å; W231-F260 HydrophobicContact CE3-CD2 3.62Å; W231-F260 HydrophobicContact CE3-CE2 4.07Å; W231-F260 HydrophobicContact CG-CD2 4.46Å; W231-F260 HydrophobicContact CH2-CD2 4.5Å; W231-F260 HydrophobicContact CH2-CE2 4.2Å; W231-F260 HydrophobicContact CZ2-CE2 4.26Å; W231-F260 AromaticContact CZ3-CD2 3.96Å; W231-F260 HydrophobicContact CZ3-CD2 3.96Å; W231-F260 HydrophobicContact CZ3-CE2 4.11Å; W231-V261 PolarHBondContact O-N 2.9Å
232	K	98.8	Very high	98.6	Very high	24 Å²	24	11.3 Å²	11.3	10%	0.104	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	107.9	168.4	-163.8	-151.4	107.8	65.7	0	110.4	A205 S207 D235 V261 A263 F268	A205-K232 PolarHBondContact O-N 3.13Å; S207-K232 PolarHBondContact N-O 3.45Å; K232-D235 IonicContact NZ-OD1 3.3Å; K232-V261 WeakPolarHBondContact CA-O 3.29Å; K232-A263 HydrophobicContact CG-CB 4.31Å; K232-A263 PolarHBondContact NZ-O 2.83Å; K232-F268 HydrophobicContact CB-CD1 3.95Å; K232-F268 HydrophobicContact CB-CD2 4.04Å; K232-F268 HydrophobicContact CB-CE1 3.68Å; K232-F268 HydrophobicContact CB-CE2 3.79Å; K232-F268 HydrophobicContact CB-CG 4.11Å; K232-F268 HydrophobicContact CB-CZ 3.61Å; K232-F268 HydrophobicContact CD-CB 3.98Å; K232-F268 HydrophobicContact CD-CD1 3.95Å; K232-F268 HydrophobicContact CD-CD2 4.39Å; K232-F268 HydrophobicContact CD-CG 3.86Å; K232-F268 HydrophobicContact CG-CD1 4.28Å; K232-F268 HydrophobicContact CG-CD2 4.1Å; K232-F268 HydrophobicContact CG-CE1 4.49Å; K232-F268 HydrophobicContact CG-CE2 4.33Å; K232-F268 HydrophobicContact CG-CG 4.07Å
233	P	98.7	Very high	98.6	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.063	C	C	.	.			trans	-70.4	163.4	171.7	32.9	-39.5	0	0	0	112.1	S207 W231 V238 N241 F260 P262	S207-P233 WeakPolarHBondContact OG-CA 3.48Å; W231-P233 VanDerWaalsContact O-CD 3.31Å; W231-P233 WeakPolarHBondContact O-CD 3.4Å; P233-V238 HydrophobicContact CB-CG2 4.33Å; P233-V238 HydrophobicContact CG-CG2 3.8Å; P233-N241 HydrophobicContact CB-CB 4.01Å; P233-N241 WeakPolarHBondContact CB-ND2 3.4Å; P233-F260 HydrophobicContact CB-CE2 3.93Å; P233-F260 HydrophobicContact CB-CZ 3.86Å; P233-F260 HydrophobicContact CG-CE1 4.04Å; P233-F260 HydrophobicContact CG-CE2 3.81Å; P233-F260 HydrophobicContact CG-CZ 3.49Å; P233-F260 VanDerWaalsContact CG-CZ 3.49Å; P233-P262 HydrophobicContact CG-CB 4.06Å; P233-P262 HydrophobicContact CG-CG 4Å
234	S	98.3	Very high	98.6	Very high	25 Å²	25	12.1 Å²	12.1	18%	0.175	6%	0.063	C	C	.	.			trans	-71.4	139.3	160.3	-175.2	0	0	0	0	109.6	T236 S237 V238	S234-T236 PolarHBondContact O-N 2.82Å; S234-T236 PolarHBondContact OG-OG1 3.5Å; S234-T236 VanDerWaalsContact OG-OG1 3.09Å; S234-S237 CarbonylContact O-C 3.51Å; S234-S237 PolarHBondContact O-N 3.05Å; S234-S237 VanDerWaalsContact O-N 3.16Å; S234-V238 WeakPolarHBondContact O-CA 3.37Å; S234-V238 PolarHBondContact O-N 2.76Å; S234-V238 VanDerWaalsContact O-N 3.1Å
235	D	98.4	Very high	98.6	Very high	41 Å²	41	12.2 Å²	12.2	22%	0.219	6%	0.063	C	C	.	.	G	3₁₀ helix	trans	-58.3	-35.8	178.7	-73.3	13	0	0	0	111.5	F93 H95 K232 S237 V238	F93-D235 HydrophobicContact CE1-CB 4.42Å; F93-D235 HydrophobicContact CE2-CB 4.06Å; F93-D235 HydrophobicContact CZ-CB 3.57Å; F93-D235 VanDerWaalsContact CZ-CG 3.49Å; H95-D235 IonicContact CE1-OD2 3.13Å; H95-D235 PolarHBondContact CE1-OD2 2.64Å; H95-D235 VanDerWaalsContact CE1-OD2 3.3Å; H95-D235 IonicContact NE2-OD1 2.89Å; H95-D235 PolarHBondContact NE2-OD1 2.95Å; H95-D235 VanDerWaalsContact NE2-OD1 3.13Å; H95-D235 IonicContact NE2-OD2 3.64Å; H95-D235 PolarHBondContact NE2-OD2 3.03Å; K232-D235 IonicContact NZ-OD1 3.3Å; D235-S237 PolarHBondContact O-N 3.32Å; D235-V238 WeakPolarHBondContact O-CG1 3.31Å
236	T	98.5	Very high	98.7	Very high	27 Å²	27	14.9 Å²	14.9	17%	0.166	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-81.6	-7.9	-178.2	49.1	0	0	0	0	114.8	Q80 G149 F209 S234 I390 D391	Q80-T236 PolarHBondContact NE2-O 3.2Å; G149-T236 VanDerWaalsContact O-O 3.1Å; F209-T236 WeakPolarHBondContact CB-OG1 3.19Å; S234-T236 PolarHBondContact O-N 2.82Å; S234-T236 PolarHBondContact OG-OG1 3.5Å; S234-T236 VanDerWaalsContact OG-OG1 3.09Å; T236-I390 VanDerWaalsContact CB-CG1 3.48Å; T236-I390 HydrophobicContact CG2-CG1 3.96Å; T236-D391 HydrophobicContact CG2-CB 4.14Å
237	S	98.5	Very high	98.7	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-125.7	21.7	172.1	64.8	0	0	0	0	112.1	P208 F209 S234 D235 Y239 S240 N241	P208-S237 PolarHBondContact O-OG 2.92Å; F209-S237 WeakPolarHBondContact CA-OG 3.43Å; S234-S237 CarbonylContact O-C 3.51Å; S234-S237 PolarHBondContact O-N 3.05Å; S234-S237 VanDerWaalsContact O-N 3.16Å; D235-S237 PolarHBondContact O-N 3.32Å; S237-Y239 VanDerWaalsContact C-N 3.33Å; S237-Y239 PolarHBondContact O-N 3.02Å; S237-S240 PolarHBondContact O-OG 3.42Å; S237-S240 VanDerWaalsContact O-OG 3.1Å; S237-N241 WeakPolarHBondContact O-CB 3.38Å; S237-N241 PolarHBondContact O-N 3.29Å; S237-N241 PolarHBondContact O-ND2 2.85Å; S237-N241 PolarHBondContact OG-ND2 3.33Å
238	V	98.7	Very high	98.7	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-64.4	-36.5	-168.4	72.8	0	0	0	0	112.5	V63 Q80 F93 P233 S234 D235 Y242 F260 P262	V63-V238 HydrophobicContact CG1-CG2 3.86Å; Q80-V238 HydrophobicContact CB-CG1 4.08Å; Q80-V238 HydrophobicContact CG-CG1 4.5Å; F93-V238 HydrophobicContact CB-CG1 4.11Å; F93-V238 HydrophobicContact CB-CG2 4.33Å; F93-V238 HydrophobicContact CD1-CG1 3.83Å; F93-V238 HydrophobicContact CD2-CG2 4.4Å; F93-V238 HydrophobicContact CE1-CG1 4.39Å; F93-V238 HydrophobicContact CG-CG1 3.94Å; F93-V238 HydrophobicContact CG-CG2 4.37Å; P233-V238 HydrophobicContact CB-CG2 4.33Å; P233-V238 HydrophobicContact CG-CG2 3.8Å; S234-V238 WeakPolarHBondContact O-CA 3.37Å; S234-V238 PolarHBondContact O-N 2.76Å; S234-V238 VanDerWaalsContact O-N 3.1Å; D235-V238 WeakPolarHBondContact O-CG1 3.31Å; V238-Y242 WeakPolarHBondContact O-CB 3.37Å; V238-Y242 PolarHBondContact O-N 2.57Å; V238-F260 HydrophobicContact CG2-CE1 4.22Å; V238-F260 HydrophobicContact CG2-CZ 4.17Å; V238-P262 HydrophobicContact CG2-CB 4.1Å; V238-P262 HydrophobicContact CG2-CG 3.93Å
239	Y	98.8	Very high	98.7	Very high	16 Å²	16	18 Å²	18	6%	0.063	8%	0.081	C	C	.	.	H	α-helix	trans	-71.4	-48.8	-177.9	-174.8	-126.9	0	0	0	113.5	M55 Y61 V63 L90 A91 S237 N241 Y242 L243	M55-Y239 HydrophobicContact CE-CE1 4.07Å; M55-Y239 HydrophobicContact CG-CE1 4.43Å; M55-Y239 HydrophobicContact SD-CD1 4.5Å; M55-Y239 HydrophobicContact SD-CE1 3.82Å; Y61-Y239 HydrophobicContact CD1-CE2 4.01Å; Y61-Y239 AromaticContact CD1-CZ 3.67Å; Y61-Y239 WeakPolarHBondContact CD1-OH 3.21Å; Y61-Y239 HydrophobicContact CD2-CD1 4.45Å; Y61-Y239 AromaticContact CD2-CE1 3.73Å; Y61-Y239 HydrophobicContact CD2-CE1 3.73Å; Y61-Y239 HydrophobicContact CD2-CE2 4.26Å; Y61-Y239 AromaticContact CD2-CZ 3.63Å; Y61-Y239 WeakPolarHBondContact CE1-OH 3.31Å; Y61-Y239 HydrophobicContact CE2-CE1 4.1Å; Y61-Y239 HydrophobicContact CG-CD2 4.44Å; Y61-Y239 AromaticContact CG-CE1 3.98Å; Y61-Y239 HydrophobicContact CG-CE1 3.98Å; Y61-Y239 AromaticContact CG-CE2 3.67Å; Y61-Y239 HydrophobicContact CG-CE2 3.67Å; Y61-Y239 AromaticContact CG-CZ 3.39Å; V63-Y239 HydrophobicContact CG2-CD2 3.74Å; L90-Y239 HydrophobicContact CD1-CD1 4.28Å; L90-Y239 HydrophobicContact CD2-CD1 4.08Å; L90-Y239 HydrophobicContact CG-CD1 4.06Å; A91-Y239 HydrophobicContact CB-CD2 4.36Å; A91-Y239 HydrophobicContact CB-CG 4.2Å; S237-Y239 VanDerWaalsContact C-N 3.33Å; S237-Y239 PolarHBondContact O-N 3.02Å; Y239-N241 VanDerWaalsContact C-N 3.26Å; Y239-N241 PolarHBondContact O-N 3.42Å; Y239-Y242 WeakPolarHBondContact O-CB 3.44Å; Y239-Y242 PolarHBondContact O-N 3.17Å; Y239-Y242 VanDerWaalsContact O-N 3.09Å; Y239-L243 HydrophobicContact CE1-CD1 4.22Å; Y239-L243 HydrophobicContact CE2-CD2 4.16Å; Y239-L243 HydrophobicContact CE2-CG 4.35Å; Y239-L243 PolarHBondContact O-N 3.12Å
240	S	98.8	Very high	98.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-59.1	-41.2	175.7	52.2	0	0	0	0	110.8	Q150 T212 S237 Y242 L243 V244	Q150-S240 PolarHBondContact OE1-OG 3.12Å; T212-S240 PolarHBondContact OG1-OG 3.33Å; S237-S240 PolarHBondContact O-OG 3.42Å; S237-S240 VanDerWaalsContact O-OG 3.1Å; S240-Y242 PolarHBondContact O-N 2.78Å; S240-L243 WeakPolarHBondContact O-CB 3.37Å; S240-L243 PolarHBondContact O-N 2.79Å; S240-V244 WeakPolarHBondContact O-CG2 3.4Å; S240-V244 PolarHBondContact O-N 2.95Å; S240-V244 VanDerWaalsContact O-N 3.11Å
241	N	98.9	Very high	98.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-63.8	-38.4	174.8	-65.8	-18.9	0	0	0	113	A215 W231 P233 S237 Y239 L243 V244 Y245 F260	A215-N241 WeakPolarHBondContact CB-OD1 3.35Å; W231-N241 HydrophobicContact CH2-CB 3.88Å; W231-N241 VanDerWaalsContact CH2-O 3.25Å; W231-N241 WeakPolarHBondContact CH2-O 3.39Å; W231-N241 HydrophobicContact CZ2-CB 3.62Å; P233-N241 HydrophobicContact CB-CB 4.01Å; P233-N241 WeakPolarHBondContact CB-ND2 3.4Å; S237-N241 WeakPolarHBondContact O-CB 3.38Å; S237-N241 PolarHBondContact O-N 3.29Å; S237-N241 PolarHBondContact O-ND2 2.85Å; S237-N241 PolarHBondContact OG-ND2 3.33Å; Y239-N241 VanDerWaalsContact C-N 3.26Å; Y239-N241 PolarHBondContact O-N 3.42Å; N241-L243 VanDerWaalsContact C-N 3.35Å; N241-V244 WeakPolarHBondContact O-CB 3.27Å; N241-V244 PolarHBondContact O-N 3.34Å; N241-Y245 PolarHBondContact O-N 3.02Å; N241-F260 HydrophobicContact CB-CE2 3.8Å; N241-F260 HydrophobicContact CB-CZ 3.98Å
242	Y	98.8	Very high	98.6	Very high	14 Å²	14	23.6 Å²	23.6	6%	0.055	12%	0.12	C	C	.	.	H	α-helix	trans	-65.4	-37.4	175.3	175.5	-117.4	0	0	0	111.9	V63 P64 E71 V238 Y239 S240 V244 Y245 R246 F260	V63-Y242 HydrophobicContact CG1-CD1 4.3Å; V63-Y242 HydrophobicContact CG1-CD2 4.19Å; V63-Y242 HydrophobicContact CG1-CG 3.82Å; V63-Y242 HydrophobicContact CG2-CD1 4.14Å; V63-Y242 HydrophobicContact CG2-CG 4.39Å; P64-Y242 HydrophobicContact CG-CE2 3.99Å; E71-Y242 PolarHBondContact OE1-OH 2.99Å; V238-Y242 WeakPolarHBondContact O-CB 3.37Å; V238-Y242 PolarHBondContact O-N 2.57Å; Y239-Y242 WeakPolarHBondContact O-CB 3.44Å; Y239-Y242 PolarHBondContact O-N 3.17Å; Y239-Y242 VanDerWaalsContact O-N 3.09Å; S240-Y242 PolarHBondContact O-N 2.78Å; Y242-V244 VanDerWaalsContact C-N 3.35Å; Y242-Y245 HydrophobicContact CD2-CD1 4.07Å; Y242-Y245 HydrophobicContact CE2-CD1 4.14Å; Y242-Y245 WeakPolarHBondContact O-CB 3.37Å; Y242-Y245 PolarHBondContact O-N 3.31Å; Y242-R246 HydrophobicContact CD1-CG 4.35Å; Y242-R246 HydrophobicContact CD2-CG 4.25Å; Y242-R246 HydrophobicContact CE1-CG 3.99Å; Y242-R246 HydrophobicContact CE2-CG 3.87Å; Y242-R246 HydrophobicContact CG-CG 4.48Å; Y242-R246 VanDerWaalsContact O-CG 3.25Å; Y242-R246 WeakPolarHBondContact O-CG 3.33Å; Y242-R246 PolarHBondContact O-N 2.75Å; Y242-F260 HydrophobicContact CD2-CD1 4.06Å; Y242-F260 HydrophobicContact CD2-CE1 4.08Å; Y242-F260 HydrophobicContact CG-CE1 4.38Å
243	L	98.8	Very high	98.6	Very high	26 Å²	26	22.7 Å²	22.7	14%	0.136	12%	0.116	C	C	.	.	H	α-helix	trans	-62.2	-42.1	172.8	-64.9	-178	0	0	0	111.7	E141 L142 S145 Y239 S240 N241 Y245 R246 L247	E141-L243 HydrophobicContact CB-CD1 4.35Å; L142-L243 HydrophobicContact CD2-CB 4Å; S145-L243 WeakPolarHBondContact OG-CD1 3.27Å; Y239-L243 HydrophobicContact CE1-CD1 4.22Å; Y239-L243 HydrophobicContact CE2-CD2 4.16Å; Y239-L243 HydrophobicContact CE2-CG 4.35Å; Y239-L243 PolarHBondContact O-N 3.12Å; S240-L243 WeakPolarHBondContact O-CB 3.37Å; S240-L243 PolarHBondContact O-N 2.79Å; N241-L243 VanDerWaalsContact C-N 3.35Å; L243-Y245 PolarHBondContact O-N 2.89Å; L243-R246 PolarHBondContact O-N 3.22Å; L243-L247 VanDerWaalsContact O-CB 3.32Å; L243-L247 WeakPolarHBondContact O-CB 3.4Å; L243-L247 PolarHBondContact O-N 3.33Å
244	V	98.9	Very high	98.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60.9	-44.4	173.6	175.1	0	0	0	0	111.3	L142 L165 T212 W231 S240 N241 Y242 L247 F248	L142-V244 HydrophobicContact CD2-CG2 3.72Å; L165-V244 HydrophobicContact CD1-CG1 4.43Å; L165-V244 HydrophobicContact CD2-CG1 4.39Å; L165-V244 HydrophobicContact CD2-CG2 3.69Å; T212-V244 HydrophobicContact CG2-CG2 3.76Å; W231-V244 HydrophobicContact CH2-CB 4.1Å; W231-V244 HydrophobicContact CH2-CG1 4.07Å; W231-V244 HydrophobicContact CZ3-CG1 4.39Å; S240-V244 WeakPolarHBondContact O-CG2 3.4Å; S240-V244 PolarHBondContact O-N 2.95Å; S240-V244 VanDerWaalsContact O-N 3.11Å; N241-V244 WeakPolarHBondContact O-CB 3.27Å; N241-V244 PolarHBondContact O-N 3.34Å; Y242-V244 VanDerWaalsContact C-N 3.35Å; V244-L247 WeakPolarHBondContact O-CB 3.32Å; V244-L247 PolarHBondContact O-N 2.88Å; V244-F248 HydrophobicContact CG1-CD2 4.38Å; V244-F248 HydrophobicContact CG1-CE1 3.99Å; V244-F248 HydrophobicContact CG1-CE2 3.71Å; V244-F248 HydrophobicContact CG1-CZ 3.48Å; V244-F248 VanDerWaalsContact CG1-CZ 3.48Å; V244-F248 WeakPolarHBondContact O-CG 3.32Å; V244-F248 PolarHBondContact O-N 3.44Å
245	Y	98.8	Very high	98.6	Very high	8 Å²	8	26.3 Å²	26.3	3%	0.031	14%	0.139	C	C	.	.	H	α-helix	trans	-59.4	-47.7	174.9	168	-106.9	0	0	0	112.3	C66 N241 Y242 L243 L247 F248 R249 I258 F260	C66-Y245 HydrophobicContact CB-CD1 4.38Å; C66-Y245 HydrophobicContact CB-CE1 3.46Å; C66-Y245 VanDerWaalsContact CB-CE1 3.46Å; C66-Y245 WeakPolarHBondContact CB-OH 3.43Å; C66-Y245 WeakPolarHBondContact SG-CE1 3.34Å; N241-Y245 PolarHBondContact O-N 3.02Å; Y242-Y245 HydrophobicContact CD2-CD1 4.07Å; Y242-Y245 HydrophobicContact CE2-CD1 4.14Å; Y242-Y245 WeakPolarHBondContact O-CB 3.37Å; Y242-Y245 PolarHBondContact O-N 3.31Å; L243-Y245 PolarHBondContact O-N 2.89Å; Y245-L247 PolarHBondContact O-N 3.47Å; Y245-F248 WeakPolarHBondContact O-CB 3.4Å; Y245-F248 PolarHBondContact O-N 2.84Å; Y245-F248 VanDerWaalsContact O-N 3.12Å; Y245-R249 HydrophobicContact CD2-CG 4.46Å; Y245-R249 HydrophobicContact CE1-CG 4.05Å; Y245-R249 HydrophobicContact CE2-CG 3.94Å; Y245-R249 WeakPolarHBondContact O-CG 3.48Å; Y245-R249 PolarHBondContact O-N 3.23Å; Y245-I258 HydrophobicContact CD2-CG2 4.38Å; Y245-I258 WeakPolarHBondContact CE2-O 3.42Å; Y245-F260 HydrophobicContact CD1-CB 3.81Å; Y245-F260 HydrophobicContact CD1-CG 4.28Å; Y245-F260 HydrophobicContact CD2-CB 3.87Å; Y245-F260 HydrophobicContact CE1-CB 4.11Å; Y245-F260 HydrophobicContact CE2-CB 4.17Å; Y245-F260 HydrophobicContact CG-CB 3.68Å; Y245-F260 HydrophobicContact CG-CD2 4.25Å; Y245-F260 HydrophobicContact CG-CG 4.12Å
246	R	98.5	Very high	98.6	Very high	127 Å²	127	24.3 Å²	24.3	48%	0.479	13%	0.128	S	C	.	.	H	α-helix	trans	-57.6	-40.3	176.6	-72.3	-112.6	-62.1	-173.6	3.4	111.8	Y242 L243 R249 E250	Y242-R246 HydrophobicContact CD1-CG 4.35Å; Y242-R246 HydrophobicContact CD2-CG 4.25Å; Y242-R246 HydrophobicContact CE1-CG 3.99Å; Y242-R246 HydrophobicContact CE2-CG 3.87Å; Y242-R246 HydrophobicContact CG-CG 4.48Å; Y242-R246 VanDerWaalsContact O-CG 3.25Å; Y242-R246 WeakPolarHBondContact O-CG 3.33Å; Y242-R246 PolarHBondContact O-N 2.75Å; L243-R246 PolarHBondContact O-N 3.22Å; R246-R249 WeakPolarHBondContact O-CB 3.03Å; R246-R249 PolarHBondContact O-N 3.34Å; R246-E250 PolarHBondContact O-N 3.32Å
247	L	98.2	Very high	98.6	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-65.6	-40.1	177.2	-178.5	153.6	0	0	0	111.8	A130 L133 V134 Y138 L142 L243 V244 Y245 R249 E250 A251	A130-L247 HydrophobicContact CB-CD2 3.5Å; A130-L247 WeakPolarHBondContact O-CD2 3.39Å; L133-L247 HydrophobicContact CB-CD1 3.68Å; L133-L247 HydrophobicContact CB-CD2 4.05Å; L133-L247 HydrophobicContact CB-CG 3.67Å; L133-L247 HydrophobicContact CD1-CD2 4.44Å; L133-L247 HydrophobicContact CD1-CG 4.07Å; V134-L247 HydrophobicContact CB-CD1 4.44Å; V134-L247 HydrophobicContact CG2-CD1 3.58Å; V134-L247 HydrophobicContact CG2-CD2 3.93Å; V134-L247 HydrophobicContact CG2-CG 4.44Å; Y138-L247 HydrophobicContact CD2-CD1 3.65Å; Y138-L247 HydrophobicContact CD2-CG 4.15Å; Y138-L247 HydrophobicContact CG-CD1 4.03Å; L142-L247 HydrophobicContact CD1-CD1 4.32Å; L243-L247 VanDerWaalsContact O-CB 3.32Å; L243-L247 WeakPolarHBondContact O-CB 3.4Å; L243-L247 PolarHBondContact O-N 3.33Å; V244-L247 WeakPolarHBondContact O-CB 3.32Å; V244-L247 PolarHBondContact O-N 2.88Å; Y245-L247 PolarHBondContact O-N 3.47Å; L247-R249 VanDerWaalsContact C-N 3.29Å; L247-R249 PolarHBondContact O-N 3.31Å; L247-E250 PolarHBondContact O-N 3.39Å; L247-A251 WeakPolarHBondContact O-CB 3.37Å; L247-A251 PolarHBondContact O-N 2.99Å
248	F	98.8	Very high	98.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-60.4	-40	171.7	-63.6	-24.5	0	0	0	112.1	A130 L169 W231 V244 Y245 A251 G252 L253 I258	A130-F248 HydrophobicContact CB-CD1 3.79Å; A130-F248 HydrophobicContact CB-CE1 4.11Å; L169-F248 HydrophobicContact CD1-CE1 4.22Å; L169-F248 HydrophobicContact CD2-CE1 3.76Å; L169-F248 HydrophobicContact CD2-CZ 4.15Å; W231-F248 HydrophobicContact CZ3-CE2 4.39Å; V244-F248 HydrophobicContact CG1-CD2 4.38Å; V244-F248 HydrophobicContact CG1-CE1 3.99Å; V244-F248 HydrophobicContact CG1-CE2 3.71Å; V244-F248 HydrophobicContact CG1-CZ 3.48Å; V244-F248 VanDerWaalsContact CG1-CZ 3.48Å; V244-F248 WeakPolarHBondContact O-CG 3.32Å; V244-F248 PolarHBondContact O-N 3.44Å; Y245-F248 WeakPolarHBondContact O-CB 3.4Å; Y245-F248 PolarHBondContact O-N 2.84Å; Y245-F248 VanDerWaalsContact O-N 3.12Å; F248-A251 WeakPolarHBondContact O-CB 3.38Å; F248-A251 PolarHBondContact O-N 3.47Å; F248-G252 PolarHBondContact O-N 3.02Å; F248-L253 HydrophobicContact CB-CB 4.21Å; F248-L253 HydrophobicContact CB-CD2 3.99Å; F248-L253 WeakPolarHBondContact O-CB 3.32Å; F248-L253 PolarHBondContact O-N 3.48Å; F248-I258 HydrophobicContact CD2-CD1 3.99Å; F248-I258 HydrophobicContact CE2-CD1 4.3Å
249	R	98.4	Very high	98.6	Very high	69 Å²	69	23.1 Å²	23.1	26%	0.26	12%	0.12	S	C	.	.	H	α-helix	trans	-62.2	-47.1	175.7	-62.7	-74.6	-71.1	157.9	-10.9	111.4	S69 Y245 R246 L247 A251 G252 L253 P255	S69-R249 PolarHBondContact OG-NH2 3.15Å; Y245-R249 HydrophobicContact CD2-CG 4.46Å; Y245-R249 HydrophobicContact CE1-CG 4.05Å; Y245-R249 HydrophobicContact CE2-CG 3.94Å; Y245-R249 WeakPolarHBondContact O-CG 3.48Å; Y245-R249 PolarHBondContact O-N 3.23Å; R246-R249 WeakPolarHBondContact O-CB 3.03Å; R246-R249 PolarHBondContact O-N 3.34Å; L247-R249 VanDerWaalsContact C-N 3.29Å; L247-R249 PolarHBondContact O-N 3.31Å; R249-A251 VanDerWaalsContact C-N 3.28Å; R249-A251 PolarHBondContact O-N 2.99Å; R249-G252 PolarHBondContact O-N 3.45Å; R249-L253 PolarHBondContact NH1-O 2.82Å; R249-P255 VanDerWaalsContact NH1-CD 3.33Å
250	E	98.5	Very high	98.7	Very high	69 Å²	69	22.3 Å²	22.3	32%	0.322	12%	0.117	S	C	.	.	H	α-helix	trans	-63.9	-33.2	175.6	-176.6	173.5	149.4	0	0	112.7	K129 L133 K137 Y138 R246 L247 G252	K129-E250 PolarHBondContact NZ-O 3.01Å; L133-E250 HydrophobicContact CD1-CB 4.1Å; L133-E250 HydrophobicContact CD1-CG 3.98Å; K137-E250 VanDerWaalsContact NZ-CD 3.29Å; K137-E250 IonicContact NZ-OE1 2.64Å; K137-E250 PolarHBondContact NZ-OE1 3.14Å; K137-E250 IonicContact NZ-OE2 2.73Å; K137-E250 PolarHBondContact NZ-OE2 2.83Å; K137-E250 VanDerWaalsContact NZ-OE2 3.12Å; Y138-E250 WeakPolarHBondContact CE2-OE2 3.42Å; Y138-E250 VanDerWaalsContact CZ-OE2 3.31Å; Y138-E250 PolarHBondContact OH-OE2 3.05Å; R246-E250 PolarHBondContact O-N 3.32Å; L247-E250 PolarHBondContact O-N 3.39Å; E250-G252 PolarHBondContact O-N 2.78Å; E250-G252 VanDerWaalsContact O-N 3.15Å
251	A	98.7	Very high	98.6	Very high	5 Å²	5	22.3 Å²	22.3	4%	0.041	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-8.6	174.3	0	0	0	0	0	113.3	V126 K129 A130 L133 L247 F248 R249	V126-A251 HydrophobicContact CG1-CB 4.24Å; V126-A251 VanDerWaalsContact O-CB 3.32Å; V126-A251 WeakPolarHBondContact O-CB 3.18Å; K129-A251 HydrophobicContact CB-CB 4.22Å; K129-A251 HydrophobicContact CD-CB 4.45Å; K129-A251 HydrophobicContact CG-CB 4.2Å; A130-A251 HydrophobicContact CB-CB 3.75Å; L133-A251 HydrophobicContact CD1-CB 4.1Å; L247-A251 WeakPolarHBondContact O-CB 3.37Å; L247-A251 PolarHBondContact O-N 2.99Å; F248-A251 WeakPolarHBondContact O-CB 3.38Å; F248-A251 PolarHBondContact O-N 3.47Å; R249-A251 VanDerWaalsContact C-N 3.28Å; R249-A251 PolarHBondContact O-N 2.99Å
252	G	98.4	Very high	98.6	Very high	44 Å²	44	22.3 Å²	22.3	45%	0.454	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	101.1	17.9	176.2	0	0	0	0	0	114	F248 R249 E250 P254	F248-G252 PolarHBondContact O-N 3.02Å; R249-G252 PolarHBondContact O-N 3.45Å; E250-G252 PolarHBondContact O-N 2.78Å; E250-G252 VanDerWaalsContact O-N 3.15Å; G252-P254 VanDerWaalsContact O-CD 3.28Å; G252-P254 WeakPolarHBondContact O-CD 3.26Å
253	L	98.6	Very high	98.6	Very high	4 Å²	4	21.7 Å²	21.7	2%	0.021	12%	0.115	C	C	.	.	P	Polyproline II helix	trans	-63	119.5	173.2	-171.3	78.1	0	0	0	110.2	W115 V126 F127 F248 R249 V257 I258	W115-L253 HydrophobicContact CH2-CD1 4.24Å; W115-L253 HydrophobicContact CZ2-CD1 4.16Å; V126-L253 HydrophobicContact CG1-CB 4.03Å; V126-L253 HydrophobicContact CG1-CD1 4.28Å; F127-L253 HydrophobicContact CZ-CD1 4.03Å; F248-L253 HydrophobicContact CB-CB 4.21Å; F248-L253 HydrophobicContact CB-CD2 3.99Å; F248-L253 WeakPolarHBondContact O-CB 3.32Å; F248-L253 PolarHBondContact O-N 3.48Å; R249-L253 PolarHBondContact NH1-O 2.82Å; L253-V257 HydrophobicContact CD1-CB 4.04Å; L253-V257 HydrophobicContact CD1-CG1 3.64Å; L253-V257 HydrophobicContact CD2-CB 4.5Å; L253-V257 HydrophobicContact CG-CB 4.1Å; L253-V257 HydrophobicContact CG-CG1 4.24Å; L253-I258 HydrophobicContact CD2-CB 3.66Å; L253-I258 HydrophobicContact CD2-CD1 3.73Å; L253-I258 HydrophobicContact CD2-CG1 3.67Å
254	P	98.5	Very high	98.5	Very high	44 Å²	44	23.1 Å²	23.1	29%	0.286	12%	0.123	S	C	.	.	P	Polyproline II helix	trans	-61	149.4	-179	-23	33.4	0	0	0	112.5	W115 G252 G256 V257	W115-P254 HydrophobicContact CE3-CG 3.88Å; W115-P254 HydrophobicContact CZ3-CG 3.87Å; G252-P254 VanDerWaalsContact O-CD 3.28Å; G252-P254 WeakPolarHBondContact O-CD 3.26Å; P254-G256 PolarHBondContact O-N 3.12Å; P254-V257 HydrophobicContact CB-CG2 3.88Å; P254-V257 HydrophobicContact CG-CG2 4.18Å; P254-V257 WeakPolarHBondContact O-CB 3.3Å; P254-V257 PolarHBondContact O-N 3.06Å
255	P	98.3	Very high	98.4	Very high	57 Å²	57	24.8 Å²	24.8	37%	0.37	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	140.2	174.4	-20.7	29.5	0	0	0	111.7	D68 S69 A111 R249 V257	D68-P255 HydrophobicContact CB-CB 4.27Å; S69-P255 WeakPolarHBondContact OG-CG 3.36Å; A111-P255 WeakPolarHBondContact CB-O 3.46Å; R249-P255 VanDerWaalsContact NH1-CD 3.33Å; P255-V257 PolarHBondContact O-N 2.92Å
256	G	98.4	Very high	98.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	-11.1	177.5	0	0	0	0	0	115.4	D68 S107 C108 P254	D68-G256 WeakPolarHBondContact OD1-CA 3.39Å; S107-G256 WeakPolarHBondContact OG-CA 3.44Å; C108-G256 WeakPolarHBondContact CA-O 3.44Å; C108-G256 PolarHBondContact SG-O 3.25Å; P254-G256 PolarHBondContact O-N 3.12Å
257	V	98.8	Very high	98.2	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.006	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-44.9	176.3	174.4	0	0	0	0	111.4	A111 W115 A223 V228 V229 L253 P254 P255	A111-V257 HydrophobicContact CB-CG2 4.26Å; W115-V257 HydrophobicContact CB-CG2 3.77Å; W115-V257 HydrophobicContact CD2-CB 4.46Å; W115-V257 HydrophobicContact CD2-CG1 3.82Å; W115-V257 HydrophobicContact CD2-CG2 3.74Å; W115-V257 HydrophobicContact CE3-CG2 4.1Å; W115-V257 HydrophobicContact CG-CB 4.39Å; W115-V257 HydrophobicContact CG-CG1 3.82Å; W115-V257 HydrophobicContact CG-CG2 3.61Å; W115-V257 HydrophobicContact CZ2-CG1 4.07Å; A223-V257 HydrophobicContact CB-CG1 4.27Å; V228-V257 CarbonylContact C-O 3.59Å; V228-V257 VanDerWaalsContact CA-O 3.31Å; V228-V257 WeakPolarHBondContact CA-O 3.32Å; V229-V257 PolarHBondContact N-O 2.62Å; L253-V257 HydrophobicContact CD1-CB 4.04Å; L253-V257 HydrophobicContact CD1-CG1 3.64Å; L253-V257 HydrophobicContact CD2-CB 4.5Å; L253-V257 HydrophobicContact CG-CB 4.1Å; L253-V257 HydrophobicContact CG-CG1 4.24Å; P254-V257 HydrophobicContact CB-CG2 3.88Å; P254-V257 HydrophobicContact CG-CG2 4.18Å; P254-V257 WeakPolarHBondContact O-CB 3.3Å; P254-V257 PolarHBondContact O-N 3.06Å; P255-V257 PolarHBondContact O-N 2.92Å
258	I	98.9	Very high	98.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	123.3	164	-59.4	175.6	0	0	0	106.1	A219 A223 V229 W231 Y245 F248 L253	A219-I258 HydrophobicContact CB-CD1 4.15Å; A219-I258 HydrophobicContact CB-CG2 4.29Å; A223-I258 HydrophobicContact CB-CD1 3.95Å; A223-I258 HydrophobicContact CB-CG1 4.03Å; V229-I258 HydrophobicContact CB-CG1 4.21Å; V229-I258 CarbonylContact O-C 3.59Å; V229-I258 VanDerWaalsContact O-CA 3.25Å; V229-I258 WeakPolarHBondContact O-CA 3.45Å; W231-I258 HydrophobicContact CB-CG2 4.09Å; W231-I258 HydrophobicContact CE3-CG2 4.22Å; Y245-I258 HydrophobicContact CD2-CG2 4.38Å; Y245-I258 WeakPolarHBondContact CE2-O 3.42Å; F248-I258 HydrophobicContact CD2-CD1 3.99Å; F248-I258 HydrophobicContact CE2-CD1 4.3Å; L253-I258 HydrophobicContact CD2-CB 3.66Å; L253-I258 HydrophobicContact CD2-CD1 3.73Å; L253-I258 HydrophobicContact CD2-CG1 3.67Å
259	N	98.9	Very high	98.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	129.9	168.7	-73.7	-41.8	0	0	0	108.9	C66 I67 D68 A104 S107 C108 V229 W231 V261	C66-N259 CarbonylContact O-C 3.55Å; C66-N259 WeakPolarHBondContact O-CA 3.34Å; C66-N259 WeakPolarHBondContact O-CB 3.49Å; I67-N259 WeakPolarHBondContact CA-OD1 3.3Å; D68-N259 PolarHBondContact N-OD1 3.33Å; A104-N259 HydrophobicContact CB-CB 4.23Å; A104-N259 PolarHBondContact O-ND2 2.86Å; S107-N259 PolarHBondContact OG-ND2 3.37Å; S107-N259 PolarHBondContact OG-OD1 3.48Å; C108-N259 PolarHBondContact SG-ND2 2.98Å; V229-N259 PolarHBondContact O-N 2.77Å; W231-N259 PolarHBondContact N-O 2.82Å; N259-V261 HydrophobicContact CB-CG2 4.06Å
260	F	98.9	Very high	98.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	107.5	-179.1	-173.4	-99.6	0	0	0	109.6	V63 C66 W231 P233 V238 N241 Y242 Y245 P262	V63-F260 HydrophobicContact CG1-CE1 3.76Å; C66-F260 HydrophobicContact CB-CB 4Å; C66-F260 PolarHBondContact N-O 2.91Å; C66-F260 PolarHBondContact O-N 3.31Å; W231-F260 AromaticContact CD2-CD2 3.9Å; W231-F260 HydrophobicContact CD2-CD2 3.9Å; W231-F260 HydrophobicContact CD2-CE2 4.14Å; W231-F260 AromaticContact CE3-CD2 3.62Å; W231-F260 HydrophobicContact CE3-CD2 3.62Å; W231-F260 HydrophobicContact CE3-CE2 4.07Å; W231-F260 HydrophobicContact CG-CD2 4.46Å; W231-F260 HydrophobicContact CH2-CD2 4.5Å; W231-F260 HydrophobicContact CH2-CE2 4.2Å; W231-F260 HydrophobicContact CZ2-CE2 4.26Å; W231-F260 AromaticContact CZ3-CD2 3.96Å; W231-F260 HydrophobicContact CZ3-CD2 3.96Å; W231-F260 HydrophobicContact CZ3-CE2 4.11Å; P233-F260 HydrophobicContact CB-CE2 3.93Å; P233-F260 HydrophobicContact CB-CZ 3.86Å; P233-F260 HydrophobicContact CG-CE1 4.04Å; P233-F260 HydrophobicContact CG-CE2 3.81Å; P233-F260 HydrophobicContact CG-CZ 3.49Å; P233-F260 VanDerWaalsContact CG-CZ 3.49Å; V238-F260 HydrophobicContact CG2-CE1 4.22Å; V238-F260 HydrophobicContact CG2-CZ 4.17Å; N241-F260 HydrophobicContact CB-CE2 3.8Å; N241-F260 HydrophobicContact CB-CZ 3.98Å; Y242-F260 HydrophobicContact CD2-CD1 4.06Å; Y242-F260 HydrophobicContact CD2-CE1 4.08Å; Y242-F260 HydrophobicContact CG-CE1 4.38Å; Y245-F260 HydrophobicContact CD1-CB 3.81Å; Y245-F260 HydrophobicContact CD1-CG 4.28Å; Y245-F260 HydrophobicContact CD2-CB 3.87Å; Y245-F260 HydrophobicContact CE1-CB 4.11Å; Y245-F260 HydrophobicContact CE2-CB 4.17Å; Y245-F260 HydrophobicContact CG-CB 3.68Å; Y245-F260 HydrophobicContact CG-CD2 4.25Å; Y245-F260 HydrophobicContact CG-CG 4.12Å; F260-P262 HydrophobicContact CD1-CG 3.99Å; F260-P262 HydrophobicContact CE1-CG 3.67Å; F260-P262 WeakPolarHBondContact O-CD 3.21Å
261	V	98.7	Very high	98.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	18%	0.175	C	C	.	.			trans	-127.4	80.6	-165.9	-172.4	0	0	0	0	109.8	I65 A96 I101 A104 I230 W231 K232 N259 A263 F268	I65-V261 HydrophobicContact CG2-CG1 4.38Å; A96-V261 HydrophobicContact CB-CG1 3.4Å; A96-V261 VanDerWaalsContact CB-CG1 3.4Å; I101-V261 HydrophobicContact CG1-CG1 4.06Å; A104-V261 HydrophobicContact CB-CG2 3.85Å; I230-V261 HydrophobicContact CD1-CB 4.21Å; I230-V261 HydrophobicContact CD1-CG1 4.32Å; I230-V261 HydrophobicContact CD1-CG2 3.94Å; I230-V261 HydrophobicContact CG1-CB 3.98Å; I230-V261 HydrophobicContact CG1-CG2 3.62Å; W231-V261 PolarHBondContact O-N 2.9Å; K232-V261 WeakPolarHBondContact CA-O 3.29Å; N259-V261 HydrophobicContact CB-CG2 4.06Å; V261-A263 HydrophobicContact CG1-CB 4.46Å; V261-A263 PolarHBondContact O-N 3.13Å; V261-F268 HydrophobicContact CB-CE2 4.5Å; V261-F268 HydrophobicContact CG1-CE2 4.46Å
262	P	98.7	Very high	98.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	17%	0.173	C	C	.	.			trans	-57.9	128.3	166.1	-13.7	27	0	0	0	108.6	F93 Y94 H95 A96 P233 V238 F260	F93-P262 HydrophobicContact CD2-CB 4.06Å; Y94-P262 WeakPolarHBondContact O-CB 3.45Å; H95-P262 CarbonylContact C-O 3.55Å; H95-P262 WeakPolarHBondContact CA-O 3.17Å; A96-P262 PolarHBondContact N-O 3.45Å; P233-P262 HydrophobicContact CG-CB 4.06Å; P233-P262 HydrophobicContact CG-CG 4Å; V238-P262 HydrophobicContact CG2-CB 4.1Å; V238-P262 HydrophobicContact CG2-CG 3.93Å; F260-P262 HydrophobicContact CD1-CG 3.99Å; F260-P262 HydrophobicContact CE1-CG 3.67Å; F260-P262 WeakPolarHBondContact O-CD 3.21Å
263	A	98.2	Very high	98	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.152	C	C	.	.			trans	-157.9	155.1	-174.3	0	0	0	0	0	110.8	A96 I101 K232 V261 G265 F268	A96-A263 HydrophobicContact CB-CB 4.31Å; I101-A263 HydrophobicContact CD1-CB 4.18Å; K232-A263 HydrophobicContact CG-CB 4.31Å; K232-A263 PolarHBondContact NZ-O 2.83Å; V261-A263 HydrophobicContact CG1-CB 4.46Å; V261-A263 PolarHBondContact O-N 3.13Å; A263-G265 PolarHBondContact O-N 3.45Å; A263-F268 HydrophobicContact CB-CB 4.01Å; A263-F268 HydrophobicContact CB-CD2 3.93Å; A263-F268 HydrophobicContact CB-CG 4.38Å
264	D	96.7	Very high	97.9	Very high	56 Å²	56	28.8 Å²	28.8	30%	0.299	17%	0.172	S	C	.	.			trans	-58.7	134.5	168.2	171.6	65.2	0	0	0	110.5	H95 P266 T267 F268	H95-D264 PolarHBondContact ND1-N 3.1Å; D264-P266 WeakPolarHBondContact OD2-CD 3.5Å; D264-T267 PolarHBondContact O-N 3.06Å; D264-T267 WeakPolarHBondContact OD2-CB 3.22Å; D264-T267 PolarHBondContact OD2-N 2.88Å; D264-T267 PolarHBondContact OD2-OG1 3.07Å; D264-F268 VanDerWaalsContact O-CB 3.26Å; D264-F268 WeakPolarHBondContact O-CB 3.38Å; D264-F268 PolarHBondContact O-N 2.93Å
265	G	96.2	Very high	97.9	Very high	36 Å²	36	28.2 Å²	28.2	37%	0.371	17%	0.165	S	C	.	.	H	α-helix	trans	-59.6	-55.4	-172.2	0	0	0	0	0	113.5	A263 T267 F268 G269	A263-G265 PolarHBondContact O-N 3.45Å; G265-T267 PolarHBondContact O-N 3.31Å; G265-F268 PolarHBondContact O-N 2.82Å; G265-G269 PolarHBondContact O-N 2.71Å
266	P	96.8	Very high	97.9	Very high	101 Å²	101	28.5 Å²	28.5	66%	0.656	17%	0.167	S	C	*	.	H	α-helix	trans	-55.6	-45.5	174.1	-29.2	35.5	0	0	0	113.9	D264 G269 K270	D264-P266 WeakPolarHBondContact OD2-CD 3.5Å; P266-G269 PolarHBondContact O-N 2.96Å; P266-K270 WeakPolarHBondContact O-CB 3.27Å; P266-K270 PolarHBondContact O-N 3.35Å
267	T	97.2	Very high	97.9	Very high	56 Å²	56	30.6 Å²	30.6	34%	0.344	18%	0.177	S	C	.	.	H	α-helix	trans	-61.9	-48.3	178.9	-56.5	0	0	0	0	111.3	I101 D264 G265 K270 V271	I101-T267 HydrophobicContact CD1-CG2 4.11Å; D264-T267 PolarHBondContact O-N 3.06Å; D264-T267 WeakPolarHBondContact OD2-CB 3.22Å; D264-T267 PolarHBondContact OD2-N 2.88Å; D264-T267 PolarHBondContact OD2-OG1 3.07Å; G265-T267 PolarHBondContact O-N 3.31Å; T267-K270 PolarHBondContact O-N 2.8Å; T267-V271 WeakPolarHBondContact O-CG2 3.21Å; T267-V271 PolarHBondContact O-N 2.82Å; T267-V271 VanDerWaalsContact O-N 3.16Å
268	F	98.4	Very high	97.9	Very high	1 Å²	1	30.7 Å²	30.7	0%	0.004	18%	0.177	C	C	.	.	H	α-helix	trans	-59.6	-52.1	176.9	-172.5	-95.7	0	0	0	111.8	I101 A204 I206 I230 K232 V261 A263 D264 G265 K270 V271 I272	I101-F268 HydrophobicContact CD1-CB 4.44Å; I101-F268 HydrophobicContact CD1-CD2 4.24Å; I101-F268 HydrophobicContact CG1-CD2 4.26Å; I101-F268 HydrophobicContact CG2-CD2 4.29Å; I101-F268 HydrophobicContact CG2-CE2 4.47Å; A204-F268 HydrophobicContact CB-CE1 4.19Å; A204-F268 HydrophobicContact CB-CZ 4.39Å; I206-F268 HydrophobicContact CD1-CD1 4.27Å; I206-F268 HydrophobicContact CD1-CE1 4.08Å; I206-F268 HydrophobicContact CG1-CD1 4.25Å; I206-F268 HydrophobicContact CG1-CE1 3.75Å; I230-F268 HydrophobicContact CD1-CE2 3.56Å; I230-F268 HydrophobicContact CD1-CZ 4.1Å; I230-F268 HydrophobicContact CG1-CE2 3.78Å; I230-F268 HydrophobicContact CG1-CZ 4Å; I230-F268 HydrophobicContact CG2-CE2 4.46Å; I230-F268 HydrophobicContact CG2-CZ 3.94Å; K232-F268 HydrophobicContact CB-CD1 3.95Å; K232-F268 HydrophobicContact CB-CD2 4.04Å; K232-F268 HydrophobicContact CB-CE1 3.68Å; K232-F268 HydrophobicContact CB-CE2 3.79Å; K232-F268 HydrophobicContact CB-CG 4.11Å; K232-F268 HydrophobicContact CB-CZ 3.61Å; K232-F268 HydrophobicContact CD-CB 3.98Å; K232-F268 HydrophobicContact CD-CD1 3.95Å; K232-F268 HydrophobicContact CD-CD2 4.39Å; K232-F268 HydrophobicContact CD-CG 3.86Å; K232-F268 HydrophobicContact CG-CD1 4.28Å; K232-F268 HydrophobicContact CG-CD2 4.1Å; K232-F268 HydrophobicContact CG-CE1 4.49Å; K232-F268 HydrophobicContact CG-CE2 4.33Å; K232-F268 HydrophobicContact CG-CG 4.07Å; V261-F268 HydrophobicContact CB-CE2 4.5Å; V261-F268 HydrophobicContact CG1-CE2 4.46Å; A263-F268 HydrophobicContact CB-CB 4.01Å; A263-F268 HydrophobicContact CB-CD2 3.93Å; A263-F268 HydrophobicContact CB-CG 4.38Å; D264-F268 VanDerWaalsContact O-CB 3.26Å; D264-F268 WeakPolarHBondContact O-CB 3.38Å; D264-F268 PolarHBondContact O-N 2.93Å; G265-F268 PolarHBondContact O-N 2.82Å; F268-K270 VanDerWaalsContact C-N 3.33Å; F268-K270 PolarHBondContact O-N 3.38Å; F268-V271 PolarHBondContact O-N 2.69Å; F268-I272 HydrophobicContact CD1-CD1 3.92Å; F268-I272 HydrophobicContact CD1-CG2 4.29Å; F268-I272 HydrophobicContact CE1-CD1 3.65Å; F268-I272 HydrophobicContact CE1-CG2 3.98Å; F268-I272 HydrophobicContact CE2-CG2 4.28Å; F268-I272 HydrophobicContact CZ-CG2 3.96Å; F268-I272 WeakPolarHBondContact O-CG1 3.44Å; F268-I272 PolarHBondContact O-N 2.9Å
269	G	97.4	Very high	97.9	Very high	18 Å²	18	31 Å²	31	19%	0.186	18%	0.18	C	C	.	.	H	α-helix	trans	-57.7	-43.9	-179.1	0	0	0	0	0	112.5	G265 P266 I272 C273	G265-G269 PolarHBondContact O-N 2.71Å; P266-G269 PolarHBondContact O-N 2.96Å; G269-I272 WeakPolarHBondContact O-CG1 3.48Å; G269-C273 VanDerWaalsContact O-CB 3.25Å; G269-C273 WeakPolarHBondContact O-CB 3.4Å; G269-C273 PolarHBondContact O-N 3.2Å; G269-C273 VanDerWaalsContact O-N 3.08Å; G269-C273 PolarHBondContact O-SG 3.09Å
270	K	96.8	Very high	97.8	Very high	124 Å²	124	31 Å²	31	54%	0.539	18%	0.18	S	C	.	.	H	α-helix	trans	-59.2	-54.9	176.1	-177.6	-178.1	177.2	-177.3	0	111.4	P266 T267 F268 I272 C273 E274	P266-K270 WeakPolarHBondContact O-CB 3.27Å; P266-K270 PolarHBondContact O-N 3.35Å; T267-K270 PolarHBondContact O-N 2.8Å; F268-K270 VanDerWaalsContact C-N 3.33Å; F268-K270 PolarHBondContact O-N 3.38Å; K270-I272 PolarHBondContact O-N 3.02Å; K270-C273 PolarHBondContact O-N 3.17Å; K270-E274 WeakPolarHBondContact CE-OE1 3.32Å; K270-E274 WeakPolarHBondContact CE-OE2 3.38Å; K270-E274 HydrophobicContact CG-CG 4.41Å; K270-E274 WeakPolarHBondContact CG-OE1 3.28Å; K270-E274 WeakPolarHBondContact O-CB 3.28Å; K270-E274 WeakPolarHBondContact O-CG 3.38Å; K270-E274 PolarHBondContact O-N 2.93Å
271	V	98.3	Very high	97.8	Very high	16 Å²	16	31 Å²	31	10%	0.097	18%	0.18	C	C	.	.	H	α-helix	trans	-63	-44.4	-174.2	176.2	0	0	0	0	111.8	I101 K102 I105 T267 F268	I101-V271 HydrophobicContact CB-CB 4.36Å; I101-V271 HydrophobicContact CB-CG1 3.96Å; I101-V271 HydrophobicContact CD1-CG2 4.49Å; I101-V271 HydrophobicContact CG2-CB 3.84Å; I101-V271 HydrophobicContact CG2-CG1 3.48Å; I101-V271 VanDerWaalsContact CG2-CG1 3.48Å; K102-V271 HydrophobicContact CG-CG1 3.8Å; I105-V271 HydrophobicContact CD1-CG1 4.17Å; T267-V271 WeakPolarHBondContact O-CG2 3.21Å; T267-V271 PolarHBondContact O-N 2.82Å; T267-V271 VanDerWaalsContact O-N 3.16Å; F268-V271 PolarHBondContact O-N 2.69Å
272	I	98.3	Very high	97.8	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-68.8	-38.4	-179.5	67.9	173.6	0	0	0	112.1	I101 I105 F202 A204 I206 I230 F268 G269 K270 H275 I281	I101-I272 HydrophobicContact CG2-CG2 4.32Å; I105-I272 HydrophobicContact CD1-CG2 4.49Å; F202-I272 HydrophobicContact CE2-CB 4.12Å; F202-I272 HydrophobicContact CE2-CG2 4.12Å; F202-I272 HydrophobicContact CZ-CB 4.21Å; F202-I272 HydrophobicContact CZ-CG2 4.48Å; A204-I272 HydrophobicContact CB-CD1 3.46Å; A204-I272 VanDerWaalsContact CB-CD1 3.46Å; A204-I272 HydrophobicContact CB-CG2 4.46Å; I206-I272 HydrophobicContact CD1-CD1 4.13Å; I230-I272 HydrophobicContact CG2-CG2 4.31Å; F268-I272 HydrophobicContact CD1-CD1 3.92Å; F268-I272 HydrophobicContact CD1-CG2 4.29Å; F268-I272 HydrophobicContact CE1-CD1 3.65Å; F268-I272 HydrophobicContact CE1-CG2 3.98Å; F268-I272 HydrophobicContact CE2-CG2 4.28Å; F268-I272 HydrophobicContact CZ-CG2 3.96Å; F268-I272 WeakPolarHBondContact O-CG1 3.44Å; F268-I272 PolarHBondContact O-N 2.9Å; G269-I272 WeakPolarHBondContact O-CG1 3.48Å; K270-I272 PolarHBondContact O-N 3.02Å; I272-H275 PolarHBondContact O-N 3.09Å; I272-I281 HydrophobicContact CD1-CD1 3.94Å
273	C	97.5	Very high	97.7	Very high	2 Å²	2	32 Å²	32	1%	0.014	19%	0.185	C	C	.	.	H	α-helix	trans	-79.5	-23	-175.5	-61.9	0	0	0	0	112.3	G269 K270 H275 V296 Y304	G269-C273 VanDerWaalsContact O-CB 3.25Å; G269-C273 WeakPolarHBondContact O-CB 3.4Å; G269-C273 PolarHBondContact O-N 3.2Å; G269-C273 VanDerWaalsContact O-N 3.08Å; G269-C273 PolarHBondContact O-SG 3.09Å; K270-C273 PolarHBondContact O-N 3.17Å; C273-H275 VanDerWaalsContact C-N 3.3Å; C273-V296 HydrophobicContact CB-CB 4.4Å; C273-V296 HydrophobicContact CB-CG1 3.44Å; C273-V296 VanDerWaalsContact CB-CG1 3.44Å; C273-Y304 WeakPolarHBondContact O-CE1 3.47Å; C273-Y304 VanDerWaalsContact O-CZ 3.28Å; C273-Y304 PolarHBondContact O-OH 3.14Å
274	E	96.5	Very high	97.6	Very high	91 Å²	91	33 Å²	33	43%	0.425	19%	0.191	S	C	.	.	H	α-helix	trans	-79.8	-12.1	173.1	-71.9	174.9	173.1	0	0	112.8	K270	K270-E274 WeakPolarHBondContact CE-OE1 3.32Å; K270-E274 WeakPolarHBondContact CE-OE2 3.38Å; K270-E274 HydrophobicContact CG-CG 4.41Å; K270-E274 WeakPolarHBondContact CG-OE1 3.28Å; K270-E274 WeakPolarHBondContact O-CB 3.28Å; K270-E274 WeakPolarHBondContact O-CG 3.38Å; K270-E274 PolarHBondContact O-N 2.93Å
275	H	98.1	Very high	97.6	Very high	33 Å²	33	31.5 Å²	31.5	15%	0.153	19%	0.189	C	C	.	.			trans	-80.9	125.5	-173.1	-160.6	-83.1	0	0	0	113	I105 E106 F202 I272 C273 Q277 L278 Y304	I105-H275 HydrophobicContact CD1-CB 4.31Å; E106-H275 IonicContact OE1-NE2 3.75Å; F202-H275 HydrophobicContact CE1-CB 3.92Å; F202-H275 AromaticContact CE1-CG 3.83Å; F202-H275 AromaticContact CE1-ND1 3.57Å; F202-H275 HydrophobicContact CZ-CB 4.06Å; I272-H275 PolarHBondContact O-N 3.09Å; C273-H275 VanDerWaalsContact C-N 3.3Å; H275-Q277 PolarHBondContact ND1-N 3.04Å; H275-Q277 PolarHBondContact O-N 2.65Å; H275-L278 PolarHBondContact O-N 3.24Å; H275-L278 VanDerWaalsContact O-N 3.07Å; H275-Y304 WeakPolarHBondContact O-CD1 3.43Å
276	P	98.1	Very high	97.6	Very high	62 Å²	62	32.2 Å²	32.2	40%	0.403	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-20	-177.5	-28.4	36.7	0	0	0	115.9	K303 R305	P276-K303 WeakPolarHBondContact CA-O 3.23Å; P276-K303 WeakPolarHBondContact CB-O 3.21Å; P276-R305 PolarHBondContact O-N 3.24Å
277	Q	98.3	Very high	97.5	Very high	45 Å²	45	27.9 Å²	27.9	21%	0.21	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	15.5	179.4	-59.6	-64.4	-71.5	0	0	113.7	L109 G201 F202 H275 A279 R305	L109-Q277 HydrophobicContact CD1-CB 4.13Å; L109-Q277 HydrophobicContact CD1-CG 4.05Å; L109-Q277 HydrophobicContact CD2-CB 4.06Å; L109-Q277 HydrophobicContact CD2-CG 4.42Å; G201-Q277 CarbonylContact C-O 3.52Å; G201-Q277 WeakPolarHBondContact CA-O 3.28Å; F202-Q277 HydrophobicContact CD1-CB 4.35Å; F202-Q277 VanDerWaalsContact CD1-O 3.26Å; F202-Q277 WeakPolarHBondContact CD1-O 3.4Å; F202-Q277 PolarHBondContact N-O 3.1Å; H275-Q277 PolarHBondContact ND1-N 3.04Å; H275-Q277 PolarHBondContact O-N 2.65Å; Q277-A279 PolarHBondContact O-N 2.93Å; Q277-A279 VanDerWaalsContact O-N 3.14Å; Q277-R305 VanDerWaalsContact NE2-CD 3.27Å
278	L	98.7	Very high	97.4	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.016	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	115.7	172.5	179.9	64.6	0	0	0	109.8	F202 H275 I281 I297 Y304 P308	F202-L278 HydrophobicContact CD2-CD1 4.41Å; F202-L278 HydrophobicContact CE1-CB 4.33Å; F202-L278 HydrophobicContact CE2-CD1 3.74Å; F202-L278 HydrophobicContact CZ-CB 4.19Å; F202-L278 HydrophobicContact CZ-CD1 3.83Å; H275-L278 PolarHBondContact O-N 3.24Å; H275-L278 VanDerWaalsContact O-N 3.07Å; L278-I281 HydrophobicContact CD1-CG1 4.17Å; L278-I281 HydrophobicContact CD2-CD1 4.24Å; L278-I281 HydrophobicContact CD2-CG1 4.28Å; L278-I297 HydrophobicContact CD2-CD1 4.49Å; L278-I297 HydrophobicContact CD2-CG1 4.42Å; L278-Y304 HydrophobicContact CB-CD1 4.23Å; L278-Y304 HydrophobicContact CB-CE1 4.01Å; L278-Y304 HydrophobicContact CD2-CE1 4.25Å; L278-P308 HydrophobicContact CB-CG 4.48Å; L278-P308 HydrophobicContact CD2-CB 4.2Å; L278-P308 HydrophobicContact CD2-CG 4.18Å; L278-P308 HydrophobicContact CG-CB 4.16Å; L278-P308 HydrophobicContact CG-CG 4.22Å
279	A	98.4	Very high	97.3	Very high	6 Å²	6	36.5 Å²	36.5	5%	0.05	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-29.8	-179	0	0	0	0	0	112.5	N199 E200 F202 Q277 P308 R309	N199-A279 HydrophobicContact CB-CB 3.78Å; E200-A279 WeakPolarHBondContact O-CB 3.47Å; F202-A279 WeakPolarHBondContact O-CA 3.05Å; F202-A279 VanDerWaalsContact O-CB 3.28Å; F202-A279 WeakPolarHBondContact O-CB 3.38Å; F202-A279 PolarHBondContact O-N 2.89Å; Q277-A279 PolarHBondContact O-N 2.93Å; Q277-A279 VanDerWaalsContact O-N 3.14Å; A279-P308 WeakPolarHBondContact O-CA 3.34Å; A279-R309 PolarHBondContact O-N 2.81Å
280	G	98.2	Very high	97.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-180	168.5	174.8	0	0	0	0	0	114.7	F202 W203 A204 R309	F202-G280 PolarHBondContact O-N 3.23Å; W203-G280 CarbonylContact C-O 3.57Å; W203-G280 VanDerWaalsContact CA-O 3.24Å; W203-G280 WeakPolarHBondContact CA-O 3.41Å; A204-G280 PolarHBondContact N-O 3.12Å; G280-R309 CarbonylContact C-O 3.54Å; G280-R309 WeakPolarHBondContact CA-O 3.4Å
281	I	98.4	Very high	97.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	128.4	174.7	-59	-172.2	0	0	0	107.8	A204 I206 I272 L278 F283 I293 I297 R309 I311	A204-I281 HydrophobicContact CB-CG1 4.3Å; A204-I281 WeakPolarHBondContact O-CA 3Å; I206-I281 HydrophobicContact CD1-CG2 4.15Å; I272-I281 HydrophobicContact CD1-CD1 3.94Å; L278-I281 HydrophobicContact CD1-CG1 4.17Å; L278-I281 HydrophobicContact CD2-CD1 4.24Å; L278-I281 HydrophobicContact CD2-CG1 4.28Å; I281-F283 HydrophobicContact CG2-CB 4.02Å; I281-I293 HydrophobicContact CD1-CG2 3.52Å; I281-I297 HydrophobicContact CD1-CD1 3.81Å; I281-I297 HydrophobicContact CG1-CD1 4.36Å; I281-R309 PolarHBondContact N-O 2.78Å; I281-I311 PolarHBondContact O-N 3.39Å
282	N	97.7	Very high	97.1	Very high	17 Å²	17	38.1 Å²	38.1	9%	0.091	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	114.3	167.3	-160.9	8.1	0	0	0	107.5	W203 A204 A205 I206 L218 P222	W203-N282 HydrophobicContact CE3-CB 4.35Å; W203-N282 HydrophobicContact CZ3-CB 4.48Å; A204-N282 PolarHBondContact O-N 2.64Å; A205-N282 WeakPolarHBondContact CA-O 3.31Å; I206-N282 PolarHBondContact N-O 3.09Å; L218-N282 WeakPolarHBondContact CA-ND2 3.11Å; L218-N282 WeakPolarHBondContact CD2-O 3.22Å; L218-N282 HydrophobicContact CG-CB 4.49Å; L218-N282 PolarHBondContact O-ND2 3.2Å; P222-N282 HydrophobicContact CG-CB 4.43Å
283	F	97.4	Very high	97	Very high	5 Å²	5	38.8 Å²	38.8	2%	0.022	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	138.2	-167.3	173.9	-89.5	0	0	0	111.4	I206 I281 G285 T289 F290 I293 I311 G312 E313	I206-F283 HydrophobicContact CB-CD2 3.81Å; I206-F283 HydrophobicContact CB-CE2 4.48Å; I206-F283 HydrophobicContact CD1-CD2 4.33Å; I206-F283 HydrophobicContact CG2-CD2 3.75Å; I206-F283 HydrophobicContact CG2-CE2 3.92Å; I281-F283 HydrophobicContact CG2-CB 4.02Å; F283-G285 VanDerWaalsContact CE1-N 3.28Å; F283-G285 VanDerWaalsContact CZ-CA 3.49Å; F283-T289 HydrophobicContact CE2-CG2 3.67Å; F283-T289 HydrophobicContact CZ-CG2 3.8Å; F283-F290 HydrophobicContact CB-CD2 4.2Å; F283-F290 HydrophobicContact CB-CE2 4.4Å; F283-F290 HydrophobicContact CD1-CB 3.91Å; F283-F290 AromaticContact CD1-CD2 3.62Å; F283-F290 HydrophobicContact CD1-CD2 3.62Å; F283-F290 HydrophobicContact CD1-CE2 4.47Å; F283-F290 AromaticContact CD1-CG 4Å; F283-F290 HydrophobicContact CD1-CG 4Å; F283-F290 HydrophobicContact CE1-CB 3.65Å; F283-F290 HydrophobicContact CE1-CD2 4.26Å; F283-F290 HydrophobicContact CE1-CG 4.26Å; F283-F290 AromaticContact CG-CD2 4Å; F283-F290 HydrophobicContact CG-CD2 4Å; F283-F290 HydrophobicContact CZ-CB 4.38Å; F283-I293 HydrophobicContact CD2-CD1 3.57Å; F283-I293 HydrophobicContact CE2-CD1 3.81Å; F283-I293 HydrophobicContact CG-CD1 4.22Å; F283-I311 PolarHBondContact N-O 2.9Å; F283-G312 VanDerWaalsContact O-CA 3.3Å; F283-G312 WeakPolarHBondContact O-CA 3.47Å; F283-E313 PolarHBondContact O-N 3.14Å
284	T	97.3	Very high	97	Very high	20 Å²	20	41.7 Å²	41.7	12%	0.123	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	127.8	161.8	-55.2	0	0	0	0	109.4	I206 P208 I214 E313	I206-T284 PolarHBondContact O-N 2.97Å; I206-T284 VanDerWaalsContact O-N 3.14Å; P208-T284 HydrophobicContact CB-CG2 4.3Å; P208-T284 HydrophobicContact CG-CG2 3.81Å; I214-T284 HydrophobicContact CG2-CG2 4.2Å; T284-E313 VanDerWaalsContact CA-O 3.25Å; T284-E313 WeakPolarHBondContact CA-O 3.45Å; T284-E313 HydrophobicContact CG2-CB 4.19Å
285	G	96	Very high	97	Very high	25 Å²	25	44.8 Å²	44.8	26%	0.258	23%	0.228	S	C	.	.	S	Bend	trans	165.2	-154.1	-175.8	0	0	0	0	0	112.8	F283 E313 C314	F283-G285 VanDerWaalsContact CE1-N 3.28Å; F283-G285 VanDerWaalsContact CZ-CA 3.49Å; G285-E313 PolarHBondContact N-O 2.83Å; G285-C314 VanDerWaalsContact O-CA 3.31Å; G285-C314 WeakPolarHBondContact O-CA 3.46Å
286	S	95.5	Very high	96.9	Very high	51 Å²	51	45.2 Å²	45.2	36%	0.357	23%	0.233	S	C	.	.			trans	-72.5	146.3	-174.7	85.1	0	0	0	0	113.3	K288 T289 F290	S286-K288 PolarHBondContact O-N 2.86Å; S286-T289 PolarHBondContact O-N 3.15Å; S286-T289 VanDerWaalsContact O-N 3.12Å; S286-T289 WeakPolarHBondContact OG-CB 2.96Å; S286-T289 PolarHBondContact OG-N 2.95Å; S286-T289 PolarHBondContact OG-OG1 3.38Å; S286-F290 PolarHBondContact O-N 3.17Å
287	T	95.6	Very high	96.9	Very high	10 Å²	10	43.2 Å²	43.2	6%	0.061	22%	0.218	C	C	.	.	H	α-helix	trans	-56.8	-37.2	172.6	-51.7	0	0	0	0	112.1	F290 R291 Y474 L523	T287-F290 PolarHBondContact O-N 3.14Å; T287-R291 HydrophobicContact CG2-CG 4.4Å; T287-R291 WeakPolarHBondContact O-CB 3.44Å; T287-R291 WeakPolarHBondContact O-CG 3.44Å; T287-R291 PolarHBondContact O-N 3.09Å; T287-Y474 WeakPolarHBondContact OG1-CE1 3.34Å; T287-Y474 PolarHBondContact OG1-OH 3.49Å; T287-L523 HydrophobicContact CG2-CB 4.14Å; T287-L523 HydrophobicContact CG2-CD1 4.34Å
288	K	95.3	Very high	96.8	Very high	171 Å²	171	43 Å²	43	74%	0.743	23%	0.229	S	C	*	.	H	α-helix	trans	-59.1	-49.4	176.4	-178.7	-179.8	177.3	-178.7	0	110.6	S286 R291 T292	S286-K288 PolarHBondContact O-N 2.86Å; K288-R291 PolarHBondContact O-N 3.44Å; K288-T292 PolarHBondContact O-N 2.93Å; K288-T292 VanDerWaalsContact O-N 3.09Å; K288-T292 PolarHBondContact O-OG1 2.69Å
289	T	96.2	Very high	96.7	Very high	67 Å²	67	49.2 Å²	49.2	41%	0.411	26%	0.262	S	S	.	.	H	α-helix	trans	-64	-45.5	179	-56.1	0	0	0	0	111.3	F283 S286 R291 T292 I293	F283-T289 HydrophobicContact CE2-CG2 3.67Å; F283-T289 HydrophobicContact CZ-CG2 3.8Å; S286-T289 PolarHBondContact O-N 3.15Å; S286-T289 VanDerWaalsContact O-N 3.12Å; S286-T289 WeakPolarHBondContact OG-CB 2.96Å; S286-T289 PolarHBondContact OG-N 2.95Å; S286-T289 PolarHBondContact OG-OG1 3.38Å; T289-R291 PolarHBondContact O-N 2.88Å; T289-T292 WeakPolarHBondContact O-CB 3.36Å; T289-T292 PolarHBondContact O-N 2.78Å; T289-T292 VanDerWaalsContact O-N 3.16Å; T289-I293 HydrophobicContact CG2-CD1 4.1Å; T289-I293 WeakPolarHBondContact O-CG1 2.99Å; T289-I293 PolarHBondContact O-N 3.27Å
290	F	95.9	Very high	96.6	Very high	15 Å²	15	49.6 Å²	49.6	7%	0.066	26%	0.263	C	S	.	.	H	α-helix	trans	-63.9	-41.4	-179.7	-169.4	-127	0	0	0	112.4	F283 S286 T287 T292 I293 L294	F283-F290 HydrophobicContact CB-CD2 4.2Å; F283-F290 HydrophobicContact CB-CE2 4.4Å; F283-F290 HydrophobicContact CD1-CB 3.91Å; F283-F290 AromaticContact CD1-CD2 3.62Å; F283-F290 HydrophobicContact CD1-CD2 3.62Å; F283-F290 HydrophobicContact CD1-CE2 4.47Å; F283-F290 AromaticContact CD1-CG 4Å; F283-F290 HydrophobicContact CD1-CG 4Å; F283-F290 HydrophobicContact CE1-CB 3.65Å; F283-F290 HydrophobicContact CE1-CD2 4.26Å; F283-F290 HydrophobicContact CE1-CG 4.26Å; F283-F290 AromaticContact CG-CD2 4Å; F283-F290 HydrophobicContact CG-CD2 4Å; F283-F290 HydrophobicContact CZ-CB 4.38Å; S286-F290 PolarHBondContact O-N 3.17Å; T287-F290 PolarHBondContact O-N 3.14Å; F290-T292 VanDerWaalsContact C-N 3.31Å; F290-T292 PolarHBondContact O-N 3.23Å; F290-I293 WeakPolarHBondContact O-CB 3.42Å; F290-I293 PolarHBondContact O-N 2.8Å; F290-L294 HydrophobicContact CD1-CD1 4Å; F290-L294 HydrophobicContact CD1-CG 4.46Å; F290-L294 HydrophobicContact CE1-CD1 3.76Å; F290-L294 HydrophobicContact CE1-CD2 4.44Å; F290-L294 HydrophobicContact CE1-CG 4.23Å; F290-L294 HydrophobicContact CE2-CD2 4.32Å; F290-L294 HydrophobicContact CE2-CG 4.39Å; F290-L294 HydrophobicContact CZ-CD1 4.16Å; F290-L294 HydrophobicContact CZ-CD2 4Å; F290-L294 HydrophobicContact CZ-CG 4.17Å; F290-L294 WeakPolarHBondContact O-CG 3.37Å; F290-L294 PolarHBondContact O-N 3.39Å
291	R	96	Very high	96.5	Very high	109 Å²	109	52.4 Å²	52.4	41%	0.411	28%	0.28	S	S	.	.	H	α-helix	trans	-59.4	-41.1	172.8	-76.9	176.3	170.3	179	-5.2	112	T287 K288 T289 L294 R295	T287-R291 HydrophobicContact CG2-CG 4.4Å; T287-R291 WeakPolarHBondContact O-CB 3.44Å; T287-R291 WeakPolarHBondContact O-CG 3.44Å; T287-R291 PolarHBondContact O-N 3.09Å; K288-R291 PolarHBondContact O-N 3.44Å; T289-R291 PolarHBondContact O-N 2.88Å; R291-L294 PolarHBondContact O-N 3.36Å; R291-R295 WeakPolarHBondContact O-CG 3.46Å; R291-R295 PolarHBondContact O-N 3.29Å
292	T	96.9	Very high	96.5	Very high	68 Å²	68	60.1 Å²	60.1	42%	0.417	32%	0.321	S	S	.	.	H	α-helix	trans	-61.1	-46.9	173.8	-62.2	0	0	0	0	111.2	K288 T289 F290 L294 R295 V296	K288-T292 PolarHBondContact O-N 2.93Å; K288-T292 VanDerWaalsContact O-N 3.09Å; K288-T292 PolarHBondContact O-OG1 2.69Å; T289-T292 WeakPolarHBondContact O-CB 3.36Å; T289-T292 PolarHBondContact O-N 2.78Å; T289-T292 VanDerWaalsContact O-N 3.16Å; F290-T292 VanDerWaalsContact C-N 3.31Å; F290-T292 PolarHBondContact O-N 3.23Å; T292-L294 VanDerWaalsContact C-N 3.33Å; T292-L294 PolarHBondContact O-N 2.97Å; T292-R295 PolarHBondContact O-N 2.94Å; T292-V296 HydrophobicContact CG2-CG2 4.33Å; T292-V296 VanDerWaalsContact O-CG2 3.32Å; T292-V296 WeakPolarHBondContact O-CG2 3.46Å; T292-V296 PolarHBondContact O-N 2.98Å
293	I	96.3	Very high	96.4	Very high	15 Å²	15	64.9 Å²	64.9	8%	0.077	34%	0.341	C	S	.	.	H	α-helix	trans	-56.7	-46.9	176.6	-70	167	0	0	0	111.1	I206 I281 F283 T289 F290 R295 V296 I297	I206-I293 HydrophobicContact CD1-CD1 4.02Å; I281-I293 HydrophobicContact CD1-CG2 3.52Å; F283-I293 HydrophobicContact CD2-CD1 3.57Å; F283-I293 HydrophobicContact CE2-CD1 3.81Å; F283-I293 HydrophobicContact CG-CD1 4.22Å; T289-I293 HydrophobicContact CG2-CD1 4.1Å; T289-I293 WeakPolarHBondContact O-CG1 2.99Å; T289-I293 PolarHBondContact O-N 3.27Å; F290-I293 WeakPolarHBondContact O-CB 3.42Å; F290-I293 PolarHBondContact O-N 2.8Å; I293-R295 PolarHBondContact O-N 2.91Å; I293-V296 PolarHBondContact O-N 3.02Å; I293-I297 HydrophobicContact CG2-CD1 3.97Å; I293-I297 WeakPolarHBondContact O-CG1 3.27Å; I293-I297 PolarHBondContact O-N 2.97Å
294	L	96.1	Very high	96.4	Very high	62 Å²	62	65.7 Å²	65.7	33%	0.325	34%	0.344	S	S	.	.	H	α-helix	trans	-62.1	-41.2	179.3	-68.7	175.7	0	0	0	112.6	F290 R291 T292 I297 G298 T310	F290-L294 HydrophobicContact CD1-CD1 4Å; F290-L294 HydrophobicContact CD1-CG 4.46Å; F290-L294 HydrophobicContact CE1-CD1 3.76Å; F290-L294 HydrophobicContact CE1-CD2 4.44Å; F290-L294 HydrophobicContact CE1-CG 4.23Å; F290-L294 HydrophobicContact CE2-CD2 4.32Å; F290-L294 HydrophobicContact CE2-CG 4.39Å; F290-L294 HydrophobicContact CZ-CD1 4.16Å; F290-L294 HydrophobicContact CZ-CD2 4Å; F290-L294 HydrophobicContact CZ-CG 4.17Å; F290-L294 WeakPolarHBondContact O-CG 3.37Å; F290-L294 PolarHBondContact O-N 3.39Å; R291-L294 PolarHBondContact O-N 3.36Å; T292-L294 VanDerWaalsContact C-N 3.33Å; T292-L294 PolarHBondContact O-N 2.97Å; L294-I297 PolarHBondContact O-N 3.02Å; L294-G298 PolarHBondContact O-N 3.2Å; L294-T310 HydrophobicContact CD2-CG2 4.07Å
295	R	97	Very high	96.3	Very high	156 Å²	156	73 Å²	73	59%	0.589	37%	0.37	S	S	*	.	H	α-helix	trans	-62.4	-49.7	175.2	-72.2	179.6	-169.5	123.1	-3.2	111.3	R291 T292 I293 I297 G298 D299	R291-R295 WeakPolarHBondContact O-CG 3.46Å; R291-R295 PolarHBondContact O-N 3.29Å; T292-R295 PolarHBondContact O-N 2.94Å; I293-R295 PolarHBondContact O-N 2.91Å; R295-I297 VanDerWaalsContact C-N 3.27Å; R295-I297 PolarHBondContact O-N 3.34Å; R295-G298 CarbonylContact O-C 3.55Å; R295-G298 WeakPolarHBondContact O-CA 3.48Å; R295-G298 PolarHBondContact O-N 3.35Å; R295-D299 VanDerWaalsContact O-CG 3.23Å; R295-D299 PolarHBondContact O-N 3Å
296	V	96.3	Very high	96.3	Very high	43 Å²	43	73.9 Å²	73.9	26%	0.261	38%	0.379	S	S	.	.	H	α-helix	trans	-61.6	-37.8	-179.5	180	0	0	0	0	111.1	C273 T292 I293 N300	C273-V296 HydrophobicContact CB-CB 4.4Å; C273-V296 HydrophobicContact CB-CG1 3.44Å; C273-V296 VanDerWaalsContact CB-CG1 3.44Å; T292-V296 HydrophobicContact CG2-CG2 4.33Å; T292-V296 VanDerWaalsContact O-CG2 3.32Å; T292-V296 WeakPolarHBondContact O-CG2 3.46Å; T292-V296 PolarHBondContact O-N 2.98Å; I293-V296 PolarHBondContact O-N 3.02Å; V296-N300 PolarHBondContact O-N 3.27Å; V296-N300 PolarHBondContact O-ND2 2.93Å
297	I	96.8	Very high	96.2	Very high	19 Å²	19	79.7 Å²	79.7	10%	0.097	39%	0.394	C	S	.	.	H	α-helix	trans	-63.3	-45.5	172.1	-72.9	173.7	0	0	0	111.2	L278 I281 I293 L294 R295 D299 N300 V301 Y304 P308 T310	L278-I297 HydrophobicContact CD2-CD1 4.49Å; L278-I297 HydrophobicContact CD2-CG1 4.42Å; I281-I297 HydrophobicContact CD1-CD1 3.81Å; I281-I297 HydrophobicContact CG1-CD1 4.36Å; I293-I297 HydrophobicContact CG2-CD1 3.97Å; I293-I297 WeakPolarHBondContact O-CG1 3.27Å; I293-I297 PolarHBondContact O-N 2.97Å; L294-I297 PolarHBondContact O-N 3.02Å; R295-I297 VanDerWaalsContact C-N 3.27Å; R295-I297 PolarHBondContact O-N 3.34Å; I297-D299 VanDerWaalsContact C-N 3.34Å; I297-D299 PolarHBondContact O-N 2.77Å; I297-N300 CarbonylContact O-C 3.27Å; I297-N300 PolarHBondContact O-N 3.37Å; I297-N300 VanDerWaalsContact O-N 3.16Å; I297-V301 PolarHBondContact O-N 3.22Å; I297-Y304 HydrophobicContact CG2-CE2 4.07Å; I297-Y304 WeakPolarHBondContact O-CE2 3.25Å; I297-P308 HydrophobicContact CG2-CB 4.47Å; I297-P308 HydrophobicContact CG2-CG 4.3Å; I297-T310 HydrophobicContact CD1-CG2 3.37Å
298	G	96.5	Very high	96.3	Very high	42 Å²	42	80 Å²	80	43%	0.433	40%	0.396	S	S	.	.	H	α-helix	trans	-57.7	-45.6	176.9	0	0	0	0	0	112.5	L294 R295 N300 V301	L294-G298 PolarHBondContact O-N 3.2Å; R295-G298 CarbonylContact O-C 3.55Å; R295-G298 WeakPolarHBondContact O-CA 3.48Å; R295-G298 PolarHBondContact O-N 3.35Å; G298-N300 PolarHBondContact O-N 3.07Å; G298-V301 PolarHBondContact O-N 3.45Å
299	D	96.9	Very high	96.4	Very high	132 Å²	132	78 Å²	78	71%	0.706	38%	0.384	S	S	*	.	H	α-helix	trans	-66.5	-16.3	179.4	-62	-22.4	0	0	0	113.2	R295 I297	R295-D299 VanDerWaalsContact O-CG 3.23Å; R295-D299 PolarHBondContact O-N 3Å; I297-D299 VanDerWaalsContact C-N 3.34Å; I297-D299 PolarHBondContact O-N 2.77Å
300	N	96.8	Very high	96.3	Very high	15 Å²	15	76.1 Å²	76.1	8%	0.08	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	11.3	-179.2	-73	-79.8	0	0	0	113.3	V296 I297 G298 D302 K303 Y304	V296-N300 PolarHBondContact O-N 3.27Å; V296-N300 PolarHBondContact O-ND2 2.93Å; I297-N300 CarbonylContact O-C 3.27Å; I297-N300 PolarHBondContact O-N 3.37Å; I297-N300 VanDerWaalsContact O-N 3.16Å; G298-N300 PolarHBondContact O-N 3.07Å; N300-D302 PolarHBondContact O-N 3.31Å; N300-D302 VanDerWaalsContact O-N 3.12Å; N300-K303 HydrophobicContact CB-CD 4.36Å; N300-K303 WeakPolarHBondContact O-CB 3.37Å; N300-K303 PolarHBondContact O-N 3.04Å; N300-K303 VanDerWaalsContact OD1-CD 3.32Å; N300-K303 WeakPolarHBondContact OD1-CD 3.28Å; N300-K303 VanDerWaalsContact OD1-CE 3.29Å; N300-K303 WeakPolarHBondContact OD1-CE 3.5Å; N300-K303 PolarHBondContact OD1-NZ 2.85Å; N300-Y304 HydrophobicContact CB-CE1 4.41Å; N300-Y304 HydrophobicContact CB-CE2 4Å; N300-Y304 WeakPolarHBondContact CB-OH 3.32Å; N300-Y304 WeakPolarHBondContact O-CD2 3.48Å; N300-Y304 WeakPolarHBondContact O-CE2 3.47Å
301	V	96.5	Very high	96.2	Very high	58 Å²	58	79.3 Å²	79.3	35%	0.352	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-55.2	-36.9	-171.5	71.5	0	0	0	0	113.5	I297 G298 K303 Y304 Y307	I297-V301 PolarHBondContact O-N 3.22Å; G298-V301 PolarHBondContact O-N 3.45Å; V301-K303 PolarHBondContact O-N 2.9Å; V301-Y304 PolarHBondContact O-N 3.34Å; V301-Y307 HydrophobicContact CG2-CD1 4.06Å; V301-Y307 HydrophobicContact CG2-CE1 3.93Å
302	D	96.9	Very high	96.1	Very high	163 Å²	163	74.1 Å²	74.1	87%	0.872	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-72	-15.1	-179	-61.1	-37.9	0	0	0	113.8	N300	N300-D302 PolarHBondContact O-N 3.31Å; N300-D302 VanDerWaalsContact O-N 3.12Å
303	K	96.2	Very high	96	Very high	117 Å²	117	72.7 Å²	72.7	51%	0.509	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-86.9	-21.6	-179.2	-60.3	-177.6	-173.4	167.6	0	112.7	P276 N300 V301	P276-K303 WeakPolarHBondContact CA-O 3.23Å; P276-K303 WeakPolarHBondContact CB-O 3.21Å; N300-K303 HydrophobicContact CB-CD 4.36Å; N300-K303 WeakPolarHBondContact O-CB 3.37Å; N300-K303 PolarHBondContact O-N 3.04Å; N300-K303 VanDerWaalsContact OD1-CD 3.32Å; N300-K303 WeakPolarHBondContact OD1-CD 3.28Å; N300-K303 VanDerWaalsContact OD1-CE 3.29Å; N300-K303 WeakPolarHBondContact OD1-CE 3.5Å; N300-K303 PolarHBondContact OD1-NZ 2.85Å; V301-K303 PolarHBondContact O-N 2.9Å
304	Y	97.8	Very high	95.9	Very high	21 Å²	21	72.3 Å²	72.3	8%	0.082	36%	0.357	C	S	.	.			trans	-81.8	139.7	-171.5	-56	-54.4	0	0	0	112.1	C273 H275 L278 I297 N300 V301 G306 P308	C273-Y304 WeakPolarHBondContact O-CE1 3.47Å; C273-Y304 VanDerWaalsContact O-CZ 3.28Å; C273-Y304 PolarHBondContact O-OH 3.14Å; H275-Y304 WeakPolarHBondContact O-CD1 3.43Å; L278-Y304 HydrophobicContact CB-CD1 4.23Å; L278-Y304 HydrophobicContact CB-CE1 4.01Å; L278-Y304 HydrophobicContact CD2-CE1 4.25Å; I297-Y304 HydrophobicContact CG2-CE2 4.07Å; I297-Y304 WeakPolarHBondContact O-CE2 3.25Å; N300-Y304 HydrophobicContact CB-CE1 4.41Å; N300-Y304 HydrophobicContact CB-CE2 4Å; N300-Y304 WeakPolarHBondContact CB-OH 3.32Å; N300-Y304 WeakPolarHBondContact O-CD2 3.48Å; N300-Y304 WeakPolarHBondContact O-CE2 3.47Å; V301-Y304 PolarHBondContact O-N 3.34Å; Y304-G306 VanDerWaalsContact CB-O 3.31Å; Y304-G306 WeakPolarHBondContact CB-O 3.47Å; Y304-G306 PolarHBondContact O-N 2.96Å; Y304-P308 HydrophobicContact CD1-CG 4.14Å; Y304-P308 HydrophobicContact CD2-CG 3.54Å; Y304-P308 HydrophobicContact CE1-CG 4.26Å; Y304-P308 HydrophobicContact CE2-CG 3.64Å; Y304-P308 HydrophobicContact CG-CG 3.8Å
305	R	95.9	Very high	95.7	Very high	175 Å²	175	69.5 Å²	69.5	66%	0.66	34%	0.343	S	S	*	.	S	Bend	trans	-66.3	-26.4	172	-176.7	174.8	177.2	171.5	2.1	112.6	E200 P276 Q277	E200-R305 IonicContact OE2-CZ 3.71Å; E200-R305 IonicContact OE2-NE 3.69Å; E200-R305 IonicContact OE2-NH2 3.63Å; P276-R305 PolarHBondContact O-N 3.24Å; Q277-R305 VanDerWaalsContact NE2-CD 3.27Å
306	G	94.1	Very high	95.5	Very high	43 Å²	43	62.1 Å²	62.1	44%	0.443	32%	0.316	S	S	.	.	S	Bend	trans	-154.1	158.9	173.1	0	0	0	0	0	110.4	Y304 P308	Y304-G306 VanDerWaalsContact CB-O 3.31Å; Y304-G306 WeakPolarHBondContact CB-O 3.47Å; Y304-G306 PolarHBondContact O-N 2.96Å; G306-P308 WeakPolarHBondContact O-CD 3.44Å
307	Y	95.2	Very high	95.6	Very high	173 Å²	173	60.2 Å²	60.2	68%	0.678	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-65.1	116.3	-176	-61	-65.7	0	0	0	112.3	V301 R309	V301-Y307 HydrophobicContact CG2-CD1 4.06Å; V301-Y307 HydrophobicContact CG2-CE1 3.93Å; Y307-R309 PolarHBondContact O-N 2.95Å; Y307-R309 PolarHBondContact O-NH1 3.13Å
308	P	97.6	Very high	95.6	Very high	15 Å²	15	59.4 Å²	59.4	10%	0.097	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-58.3	133.1	178.1	-23.8	33.8	0	0	0	111.5	L278 A279 I297 Y304 G306	L278-P308 HydrophobicContact CB-CG 4.48Å; L278-P308 HydrophobicContact CD2-CB 4.2Å; L278-P308 HydrophobicContact CD2-CG 4.18Å; L278-P308 HydrophobicContact CG-CB 4.16Å; L278-P308 HydrophobicContact CG-CG 4.22Å; A279-P308 WeakPolarHBondContact O-CA 3.34Å; I297-P308 HydrophobicContact CG2-CB 4.47Å; I297-P308 HydrophobicContact CG2-CG 4.3Å; Y304-P308 HydrophobicContact CD1-CG 4.14Å; Y304-P308 HydrophobicContact CD2-CG 3.54Å; Y304-P308 HydrophobicContact CE1-CG 4.26Å; Y304-P308 HydrophobicContact CE2-CG 3.64Å; Y304-P308 HydrophobicContact CG-CG 3.8Å; G306-P308 WeakPolarHBondContact O-CD 3.44Å
309	R	95.7	Very high	95.7	Very high	131 Å²	131	57.4 Å²	57.4	49%	0.494	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	135.5	171.2	-58.5	-58.2	-176.8	-117.9	10.7	109.5	W203 A279 G280 I281 Y307	W203-R309 HydrophobicContact CH2-CB 3.6Å; W203-R309 HydrophobicContact CH2-CG 4.36Å; W203-R309 HydrophobicContact CZ2-CB 3.95Å; W203-R309 HydrophobicContact CZ2-CG 4.28Å; W203-R309 HydrophobicContact CZ3-CB 4.39Å; A279-R309 PolarHBondContact O-N 2.81Å; G280-R309 CarbonylContact C-O 3.54Å; G280-R309 WeakPolarHBondContact CA-O 3.4Å; I281-R309 PolarHBondContact N-O 2.78Å; Y307-R309 PolarHBondContact O-N 2.95Å; Y307-R309 PolarHBondContact O-NH1 3.13Å
310	T	94.3	Very high	95.8	Very high	27 Å²	27	51.1 Å²	51.1	17%	0.166	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	108.9	-179.6	51	0	0	0	0	110.6	L294 I297 K526	L294-T310 HydrophobicContact CD2-CG2 4.07Å; I297-T310 HydrophobicContact CD1-CG2 3.37Å; T310-K526 PolarHBondContact O-NZ 3.17Å; T310-K526 PolarHBondContact OG1-NZ 3.35Å
311	I	93.8	Very high	95.9	Very high	81 Å²	81	50.4 Å²	50.4	42%	0.415	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	124	173.4	-54.6	171.7	0	0	0	106.1	W203 I281 F283	W203-I311 HydrophobicContact CH2-CD1 4.19Å; W203-I311 HydrophobicContact CZ3-CD1 4.18Å; I281-I311 PolarHBondContact O-N 3.39Å; F283-I311 PolarHBondContact N-O 2.9Å
312	G	93.8	Very high	96	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	114.8	-174.9	0	0	0	0	0	110.5	F283	F283-G312 VanDerWaalsContact O-CA 3.3Å; F283-G312 WeakPolarHBondContact O-CA 3.47Å
313	E	94.4	Very high	96.1	Very high	37 Å²	37	40.6 Å²	40.6	17%	0.173	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	127.5	167.9	-63.9	-57.3	132.1	0	0	108.3	F283 T284 G285 G520	F283-E313 PolarHBondContact O-N 3.14Å; T284-E313 VanDerWaalsContact CA-O 3.25Å; T284-E313 WeakPolarHBondContact CA-O 3.45Å; T284-E313 HydrophobicContact CG2-CB 4.19Å; G285-E313 PolarHBondContact N-O 2.83Å; E313-G520 PolarHBondContact OE2-N 2.7Å
314	C	94.7	Very high	96.2	Very high	7 Å²	7	37.2 Å²	37.2	5%	0.047	18%	0.177	C	C	.	.			trans	-116.4	-174.5	-173.9	-68.1	0	0	0	0	111.2	G285 L523 S524	G285-C314 VanDerWaalsContact O-CA 3.31Å; G285-C314 WeakPolarHBondContact O-CA 3.46Å; C314-L523 VanDerWaalsContact CB-O 3.23Å; C314-L523 WeakPolarHBondContact CB-O 3.37Å; C314-S524 PolarHBondContact N-O 2.78Å
315	G	91.8	Very high	96.2	Very high	3 Å²	3	38.2 Å²	38.2	3%	0.031	19%	0.187	C	C	.	.			trans	-62.2	177.5	175.1	0	0	0	0	0	114	D445 Y474 S524	G315-D445 WeakPolarHBondContact CA-OD2 3.31Å; G315-Y474 VanDerWaalsContact O-CD1 3.28Å; G315-Y474 WeakPolarHBondContact O-CD1 3.47Å; G315-S524 WeakPolarHBondContact O-CA 3.41Å; G315-S524 WeakPolarHBondContact O-CB 3.41Å; G315-S524 PolarHBondContact O-OG 2.88Å
316	G	93.9	Very high	96.3	Very high	2 Å²	2	30.5 Å²	30.5	2%	0.021	16%	0.161	C	C	.	.			trans	-142.4	164.9	178.4	0	0	0	0	0	110.8
317	K	97.2	Very high	96.5	Very high	3 Å²	3	31.1 Å²	31.1	1%	0.013	15%	0.154	C	C	.	.			trans	-131.3	65	170.8	-168.2	63.3	176.2	-176	0	108.9	R352 L441 M442 D444 T472 Y474	K317-R352 HydrophobicContact CD-CG 4.44Å; K317-R352 HydrophobicContact CG-CG 4.02Å; K317-R352 VanDerWaalsContact O-CZ 3.28Å; K317-R352 PolarHBondContact O-NE 3.49Å; K317-R352 PolarHBondContact O-NH2 3.18Å; K317-L441 WeakPolarHBondContact CE-O 3.31Å; K317-L441 PolarHBondContact NZ-O 2.76Å; K317-M442 VanDerWaalsContact CE-C 3.42Å; K317-M442 VanDerWaalsContact CE-O 3.29Å; K317-M442 WeakPolarHBondContact CE-O 3.34Å; K317-M442 VanDerWaalsContact CG-O 3.3Å; K317-M442 WeakPolarHBondContact CG-O 3.44Å; K317-D444 WeakPolarHBondContact CD-O 3.32Å; K317-D444 WeakPolarHBondContact CE-O 3.41Å; K317-D444 PolarHBondContact NZ-O 3.09Å; K317-T472 HydrophobicContact CB-CG2 4.02Å; K317-T472 HydrophobicContact CG-CG2 4.39Å; K317-Y474 HydrophobicContact CB-CD2 3.95Å; K317-Y474 HydrophobicContact CB-CG 4.33Å
318	N	98.2	Very high	96.7	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.011	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	152.5	-164.7	-43.9	-65.9	0	0	0	111.2	C347 S348 A349 S351 R352 L476 T477	N318-C347 PolarHBondContact ND2-O 3.13Å; N318-S348 WeakPolarHBondContact ND2-CA 3.36Å; N318-S348 PolarHBondContact ND2-O 2.92Å; N318-A349 PolarHBondContact ND2-N 2.87Å; N318-A349 PolarHBondContact ND2-O 2.86Å; N318-S351 PolarHBondContact O-N 2.96Å; N318-R352 PolarHBondContact O-N 2.91Å; N318-L476 WeakPolarHBondContact OD1-CB 3.5Å; N318-T477 VanDerWaalsContact CA-O 3.29Å; N318-T477 WeakPolarHBondContact CA-O 3.48Å; N318-T477 WeakPolarHBondContact CB-O 3.44Å; N318-T477 VanDerWaalsContact CB-OG1 3.28Å; N318-T477 WeakPolarHBondContact CB-OG1 3.4Å; N318-T477 PolarHBondContact OD1-N 3.24Å; N318-T477 PolarHBondContact OD1-O 3Å; N318-T477 PolarHBondContact OD1-OG1 2.81Å; N318-T477 VanDerWaalsContact OD1-OG1 3.11Å
319	Y	98.5	Very high	96.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	149.7	-172.1	66.8	-89.6	0	0	0	113.1	F321 R352 V468 G478 S479 L495 T498 T499 F502	Y319-F321 HydrophobicContact CD2-CB 4.38Å; Y319-R352 CarbonylContact C-O 3.45Å; Y319-R352 WeakPolarHBondContact CA-O 3.34Å; Y319-V468 HydrophobicContact CD1-CG1 3.91Å; Y319-V468 HydrophobicContact CD2-CG1 3.82Å; Y319-V468 HydrophobicContact CE1-CG1 3.81Å; Y319-V468 HydrophobicContact CE2-CG1 3.74Å; Y319-V468 HydrophobicContact CG-CG1 3.91Å; Y319-G478 CarbonylContact O-C 3.51Å; Y319-G478 VanDerWaalsContact O-CA 3.31Å; Y319-G478 WeakPolarHBondContact O-CA 3.44Å; Y319-S479 PolarHBondContact O-N 2.92Å; Y319-L495 HydrophobicContact CE2-CD1 4.23Å; Y319-T498 PolarHBondContact OH-OG1 3.32Å; Y319-T499 HydrophobicContact CE1-CG2 3.71Å; Y319-T499 WeakPolarHBondContact OH-CG2 3.29Å; Y319-F502 WeakPolarHBondContact OH-CE2 3.03Å
320	H	98.8	Very high	96.8	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	132.3	157	-74.2	-174	0	0	0	109.2	I322 T335 C350 R352 L353 Y354 S479 F481 S508	H320-I322 HydrophobicContact CB-CD1 4.46Å; H320-T335 PolarHBondContact ND1-OG1 2.7Å; H320-C350 VanDerWaalsContact CG-SG 3.56Å; H320-R352 PolarHBondContact N-O 3.46Å; H320-L353 HydrophobicContact CB-CD1 3.85Å; H320-L353 WeakPolarHBondContact O-CA 3.27Å; H320-Y354 PolarHBondContact O-N 3.21Å; H320-S479 CarbonylContact C-O 3.59Å; H320-S479 WeakPolarHBondContact CA-O 3.48Å; H320-F481 HydrophobicContact CB-CE2 4.26Å; H320-F481 AromaticContact CE1-CE2 3.8Å; H320-F481 AromaticContact CG-CE2 3.77Å; H320-F481 AromaticContact ND1-CE2 3.52Å; H320-S508 PolarHBondContact CD2-OG 3.27Å; H320-S508 WeakPolarHBondContact NE2-CB 3.27Å; H320-S508 PolarHBondContact NE2-N 3.37Å; H320-S508 PolarHBondContact NE2-OG 2.95Å
321	F	98.8	Very high	97	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	119.6	173	-178.4	-83.4	0	0	0	109.1	Y319 H323 Y456 I461 T464 L465 V468 S479 I480 F481 F487	Y319-F321 HydrophobicContact CD2-CB 4.38Å; F321-H323 HydrophobicContact CE1-CB 4.29Å; F321-Y456 HydrophobicContact CE2-CE1 4.14Å; F321-Y456 HydrophobicContact CZ-CE1 4.21Å; F321-Y456 HydrophobicContact CZ-CE2 4.4Å; F321-Y456 AromaticContact CZ-CZ 3.76Å; F321-Y456 VanDerWaalsContact CZ-OH 3.31Å; F321-Y456 WeakPolarHBondContact CZ-OH 3.47Å; F321-I461 HydrophobicContact CZ-CG2 4.28Å; F321-T464 HydrophobicContact CD2-CG2 4.33Å; F321-T464 HydrophobicContact CE2-CG2 3.67Å; F321-L465 HydrophobicContact CD2-CD2 4.19Å; F321-L465 HydrophobicContact CE1-CD2 4.43Å; F321-L465 HydrophobicContact CE2-CD2 3.89Å; F321-L465 HydrophobicContact CZ-CD2 4.03Å; F321-V468 HydrophobicContact CD2-CG2 3.98Å; F321-S479 PolarHBondContact N-O 2.97Å; F321-I480 HydrophobicContact CB-CG2 4.3Å; F321-I480 WeakPolarHBondContact O-CA 3.29Å; F321-F481 PolarHBondContact O-N 3.43Å; F321-F487 HydrophobicContact CD1-CE1 4.29Å; F321-F487 HydrophobicContact CD1-CZ 4.11Å; F321-F487 AromaticContact CE1-CE1 3.98Å; F321-F487 HydrophobicContact CE1-CE1 3.98Å; F321-F487 AromaticContact CE1-CZ 3.5Å; F321-F487 HydrophobicContact CE1-CZ 3.5Å; F321-F487 VanDerWaalsContact CE1-CZ 3.5Å; F321-F487 HydrophobicContact CZ-CZ 4.22Å
322	I	98.8	Very high	97.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	111	-178.9	-49.7	-49	0	0	0	108.3	H320 A326 L328 A331 L353 Y354 V355 P356 F363 Y456 F481	H320-I322 HydrophobicContact CB-CD1 4.46Å; I322-A326 HydrophobicContact CG2-CB 3.68Å; I322-L328 HydrophobicContact CG2-CD2 3.9Å; I322-A331 HydrophobicContact CD1-CB 3.82Å; I322-L353 HydrophobicContact CD1-CD1 4.09Å; I322-L353 HydrophobicContact CG1-CD1 3.84Å; I322-Y354 PolarHBondContact N-O 2.95Å; I322-V355 HydrophobicContact CB-CG1 4.43Å; I322-V355 HydrophobicContact CG1-CG2 4.09Å; I322-P356 WeakPolarHBondContact O-CD 3.31Å; I322-F363 HydrophobicContact CD1-CZ 4.2Å; I322-F363 HydrophobicContact CG1-CE1 4.32Å; I322-F363 HydrophobicContact CG1-CZ 4.1Å; I322-Y456 PolarHBondContact O-OH 2.92Å; I322-F481 HydrophobicContact CD1-CB 3.94Å; I322-F481 HydrophobicContact CD1-CD2 3.64Å; I322-F481 HydrophobicContact CD1-CE2 4.47Å; I322-F481 HydrophobicContact CD1-CG 4.01Å
323	H	98.5	Very high	97.4	Very high	14 Å²	14	25.4 Å²	25.4	7%	0.065	14%	0.136	C	C	.	.			trans	-78.5	155	175	-175.6	-104.6	0	0	0	110.9	F321 S325 A326 F481 A482 F487	F321-H323 HydrophobicContact CE1-CB 4.29Å; H323-S325 PolarHBondContact CE1-OG 3.04Å; H323-S325 PolarHBondContact ND1-N 3.47Å; H323-S325 VanDerWaalsContact ND1-N 3.2Å; H323-S325 PolarHBondContact ND1-OG 3.25Å; H323-S325 PolarHBondContact O-N 3.24Å; H323-A326 WeakPolarHBondContact O-CB 3.19Å; H323-A326 PolarHBondContact O-N 3.09Å; H323-F481 VanDerWaalsContact CB-O 3.24Å; H323-F481 WeakPolarHBondContact CB-O 3.3Å; H323-F481 PolarHBondContact N-O 3.47Å; H323-A482 HydrophobicContact CB-CB 3.62Å; H323-F487 HydrophobicContact CB-CD1 4.01Å; H323-F487 HydrophobicContact CB-CE1 3.77Å; H323-F487 AromaticContact CD2-CD1 3.37Å; H323-F487 WeakPolarHBondContact CD2-CD1 3.23Å; H323-F487 AromaticContact CD2-CD2 3.66Å; H323-F487 AromaticContact CD2-CE1 3.44Å; H323-F487 VanDerWaalsContact CD2-CE1 3.44Å; H323-F487 WeakPolarHBondContact CD2-CE1 3.38Å; H323-F487 AromaticContact CD2-CE2 3.74Å; H323-F487 AromaticContact CD2-CG 3.48Å; H323-F487 VanDerWaalsContact CD2-CG 3.48Å; H323-F487 WeakPolarHBondContact CD2-CG 3.31Å; H323-F487 AromaticContact CD2-CZ 3.63Å; H323-F487 AromaticContact CG-CD1 3.57Å; H323-F487 AromaticContact CG-CE1 3.71Å; H323-F487 AromaticContact NE2-CD1 3.88Å; H323-F487 AromaticContact NE2-CD2 3.72Å; H323-F487 AromaticContact NE2-CG 3.54Å
324	P	98.3	Very high	97.6	Very high	47 Å²	47	23.8 Å²	23.8	31%	0.305	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-27.2	175.9	-32.1	38.8	0	0	0	115.6	A326 P356 E458 I461	P324-A326 VanDerWaalsContact C-N 3.35Å; P324-P356 HydrophobicContact CG-CG 4.06Å; P324-E458 HydrophobicContact CG-CB 4.49Å; P324-I461 HydrophobicContact CG-CD1 4.36Å
325	S	98	Very high	97.8	Very high	41 Å²	41	23.5 Å²	23.5	29%	0.287	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	5.1	176.1	70.8	0	0	0	0	114.7	H323 Q483 D484	H323-S325 PolarHBondContact CE1-OG 3.04Å; H323-S325 PolarHBondContact ND1-N 3.47Å; H323-S325 VanDerWaalsContact ND1-N 3.2Å; H323-S325 PolarHBondContact ND1-OG 3.25Å; H323-S325 PolarHBondContact O-N 3.24Å; S325-Q483 VanDerWaalsContact O-CB 3.23Å; S325-Q483 WeakPolarHBondContact O-CB 3.23Å; S325-Q483 WeakPolarHBondContact O-CG 3.42Å; S325-Q483 PolarHBondContact O-N 3.22Å; S325-Q483 PolarHBondContact OG-N 3.03Å; S325-D484 WeakPolarHBondContact OG-CB 3.35Å; S325-D484 PolarHBondContact OG-N 2.82Å
326	A	98.3	Very high	98.1	Very high	14 Å²	14	23.5 Å²	23.5	12%	0.116	13%	0.126	C	C	.	.			trans	-62.1	146.9	-175.7	0	0	0	0	0	113.7	I322 H323 P324 L328 F481	I322-A326 HydrophobicContact CG2-CB 3.68Å; H323-A326 WeakPolarHBondContact O-CB 3.19Å; H323-A326 PolarHBondContact O-N 3.09Å; P324-A326 VanDerWaalsContact C-N 3.35Å; A326-L328 HydrophobicContact CB-CD2 4.35Å; A326-L328 PolarHBondContact O-N 3.05Å; A326-L328 VanDerWaalsContact O-N 3.16Å; A326-F481 HydrophobicContact CB-CB 3.94Å; A326-F481 WeakPolarHBondContact CB-O 3.26Å
327	N	98.3	Very high	98.3	Very high	55 Å²	55	28 Å²	28	29%	0.294	14%	0.143	S	C	.	.			trans	-72.5	104.1	158.4	-175.9	-17.8	0	0	0	108.7	E329 E330 A331	N327-E329 VanDerWaalsContact C-N 3.29Å; N327-E329 PolarHBondContact O-N 2.71Å; N327-E329 PolarHBondContact OD1-N 3.21Å; N327-E329 VanDerWaalsContact OD1-N 3.11Å; N327-E330 HydrophobicContact CB-CB 4.26Å; N327-E330 HydrophobicContact CB-CG 4.36Å; N327-E330 PolarHBondContact ND2-OE1 2.87Å; N327-A331 VanDerWaalsContact O-CB 3.28Å; N327-A331 WeakPolarHBondContact O-CB 3.48Å; N327-A331 PolarHBondContact O-N 3.01Å
328	L	98.5	Very high	98.4	Very high	16 Å²	16	27.9 Å²	27.9	8%	0.084	14%	0.142	C	C	.	.	H	α-helix	trans	-66.1	-27.3	-174.8	-64.5	-176.2	0	0	0	113.9	I322 A326 A332 L359 K362 F363 L366	I322-L328 HydrophobicContact CG2-CD2 3.9Å; A326-L328 HydrophobicContact CB-CD2 4.35Å; A326-L328 PolarHBondContact O-N 3.05Å; A326-L328 VanDerWaalsContact O-N 3.16Å; L328-A332 VanDerWaalsContact O-CB 3.26Å; L328-A332 WeakPolarHBondContact O-CB 3.47Å; L328-A332 PolarHBondContact O-N 3.38Å; L328-L359 HydrophobicContact CD1-CB 4.43Å; L328-L359 HydrophobicContact CD2-CD1 4.17Å; L328-K362 HydrophobicContact CD1-CB 4.27Å; L328-K362 HydrophobicContact CD1-CD 3.88Å; L328-K362 HydrophobicContact CD1-CG 4.01Å; L328-F363 HydrophobicContact CB-CD2 4.2Å; L328-F363 HydrophobicContact CD2-CD2 3.88Å; L328-L366 HydrophobicContact CB-CD1 3.73Å
329	E	98.2	Very high	98.4	Very high	124 Å²	124	27.8 Å²	27.8	58%	0.579	14%	0.142	S	C	*	.	H	α-helix	trans	-71.9	-50.4	179.3	-174.2	172	-177	0	0	110.7	N327 A331 A332 L333	N327-E329 VanDerWaalsContact C-N 3.29Å; N327-E329 PolarHBondContact O-N 2.71Å; N327-E329 PolarHBondContact OD1-N 3.21Å; N327-E329 VanDerWaalsContact OD1-N 3.11Å; E329-A331 VanDerWaalsContact C-N 3.31Å; E329-A331 PolarHBondContact O-N 3.31Å; E329-A332 PolarHBondContact O-N 3.17Å; E329-L333 PolarHBondContact O-N 3.36Å
330	E	97.8	Very high	98.4	Very high	92 Å²	92	27.8 Å²	27.8	43%	0.43	14%	0.142	S	C	.	.	H	α-helix	trans	-60.2	-42.2	174.5	-70.8	171.3	-163.2	0	0	111.8	N327 G334	N327-E330 HydrophobicContact CB-CB 4.26Å; N327-E330 HydrophobicContact CB-CG 4.36Å; N327-E330 PolarHBondContact ND2-OE1 2.87Å; E330-G334 PolarHBondContact O-N 2.83Å
331	A	98.6	Very high	98.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62.8	-41.9	177.3	0	0	0	0	0	112.6	I322 N327 E329 T335 F363 F481	I322-A331 HydrophobicContact CD1-CB 3.82Å; N327-A331 VanDerWaalsContact O-CB 3.28Å; N327-A331 WeakPolarHBondContact O-CB 3.48Å; N327-A331 PolarHBondContact O-N 3.01Å; E329-A331 VanDerWaalsContact C-N 3.31Å; E329-A331 PolarHBondContact O-N 3.31Å; A331-T335 VanDerWaalsContact O-CB 3.23Å; A331-T335 WeakPolarHBondContact O-CB 3.38Å; A331-T335 PolarHBondContact O-N 2.9Å; A331-T335 PolarHBondContact O-OG1 3.48Å; A331-F363 HydrophobicContact CB-CE2 3.66Å; A331-F363 HydrophobicContact CB-CZ 4.21Å; A331-F481 HydrophobicContact CB-CB 3.99Å; A331-F481 HydrophobicContact CB-CD1 3.62Å; A331-F481 HydrophobicContact CB-CD2 4.29Å; A331-F481 HydrophobicContact CB-CE1 4.15Å; A331-F481 HydrophobicContact CB-CG 3.69Å
332	A	98.7	Very high	98.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-67.5	-49.6	179.9	0	0	0	0	0	110.6	L328 E329 G334 T335 I336 F363 L366 L367	L328-A332 VanDerWaalsContact O-CB 3.26Å; L328-A332 WeakPolarHBondContact O-CB 3.47Å; L328-A332 PolarHBondContact O-N 3.38Å; E329-A332 PolarHBondContact O-N 3.17Å; A332-G334 PolarHBondContact O-N 3.49Å; A332-T335 PolarHBondContact O-N 3.38Å; A332-I336 WeakPolarHBondContact O-CG1 3.32Å; A332-I336 PolarHBondContact O-N 3.22Å; A332-F363 HydrophobicContact CB-CD2 4.27Å; A332-F363 HydrophobicContact CB-CE2 3.8Å; A332-F363 HydrophobicContact CB-CZ 4.36Å; A332-L366 HydrophobicContact CB-CB 3.65Å; A332-L367 HydrophobicContact CB-CD2 4.01Å; A332-L367 HydrophobicContact CB-CG 4.19Å
333	L	98.1	Very high	98.3	Very high	77 Å²	77	29.8 Å²	29.8	40%	0.403	15%	0.151	S	C	.	.	H	α-helix	trans	-59.5	-48.3	177.1	178.2	60.8	0	0	0	111.8	E329 T335 I336 R337	E329-L333 PolarHBondContact O-N 3.36Å; L333-T335 VanDerWaalsContact C-N 3.28Å; L333-T335 PolarHBondContact O-N 2.88Å; L333-I336 PolarHBondContact O-N 3.29Å; L333-R337 HydrophobicContact CD1-CG 4.27Å; L333-R337 WeakPolarHBondContact O-CG 3.28Å; L333-R337 PolarHBondContact O-N 3.09Å; L333-R337 VanDerWaalsContact O-N 3.08Å
334	G	98.2	Very high	98.3	Very high	3 Å²	3	29.2 Å²	29.2	3%	0.031	15%	0.149	C	C	.	.	H	α-helix	trans	-59	-40.6	177.9	0	0	0	0	0	111.9	E330 A332 S338 Q507	E330-G334 PolarHBondContact O-N 2.83Å; A332-G334 PolarHBondContact O-N 3.49Å; G334-S338 WeakPolarHBondContact O-CB 3.4Å; G334-S338 PolarHBondContact O-N 2.84Å; G334-Q507 WeakPolarHBondContact O-CB 3.35Å
335	T	98.8	Very high	98.3	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-66.1	-47.1	178.3	-60	0	0	0	0	112.3	H320 A331 A332 L333 R337 S338 S339 L353 L367 L451	H320-T335 PolarHBondContact ND1-OG1 2.7Å; A331-T335 VanDerWaalsContact O-CB 3.23Å; A331-T335 WeakPolarHBondContact O-CB 3.38Å; A331-T335 PolarHBondContact O-N 2.9Å; A331-T335 PolarHBondContact O-OG1 3.48Å; A332-T335 PolarHBondContact O-N 3.38Å; L333-T335 VanDerWaalsContact C-N 3.28Å; L333-T335 PolarHBondContact O-N 2.88Å; T335-R337 PolarHBondContact O-N 3.26Å; T335-S338 PolarHBondContact O-N 3.35Å; T335-S339 VanDerWaalsContact O-CB 3.32Å; T335-S339 WeakPolarHBondContact O-CB 3.33Å; T335-S339 PolarHBondContact O-N 2.96Å; T335-S339 PolarHBondContact O-OG 2.78Å; T335-L353 HydrophobicContact CG2-CD1 4.24Å; T335-L353 HydrophobicContact CG2-CD2 4.25Å; T335-L367 HydrophobicContact CG2-CD2 4.18Å; T335-L451 HydrophobicContact CG2-CD1 4.49Å; T335-L451 HydrophobicContact CG2-CD2 3.47Å; T335-L451 VanDerWaalsContact CG2-CD2 3.47Å
336	I	98.6	Very high	98.3	Very high	3 Å²	3	25.9 Å²	25.9	2%	0.015	13%	0.125	C	C	.	.	H	α-helix	trans	-57.9	-50.3	177.3	-71	-63.2	0	0	0	111	A332 L333 S339 F340 L367 H370 L374 I431	A332-I336 WeakPolarHBondContact O-CG1 3.32Å; A332-I336 PolarHBondContact O-N 3.22Å; L333-I336 PolarHBondContact O-N 3.29Å; I336-S339 PolarHBondContact O-N 2.98Å; I336-F340 HydrophobicContact CD1-CD2 4.02Å; I336-F340 HydrophobicContact CD1-CE2 3.74Å; I336-F340 HydrophobicContact CG2-CD2 4.31Å; I336-F340 WeakPolarHBondContact O-CB 3.28Å; I336-F340 WeakPolarHBondContact O-CD2 3.08Å; I336-F340 PolarHBondContact O-N 3.34Å; I336-L367 HydrophobicContact CD1-CD2 4.04Å; I336-L367 HydrophobicContact CG1-CD2 3.93Å; I336-H370 HydrophobicContact CB-CB 4.44Å; I336-H370 HydrophobicContact CG1-CB 3.87Å; I336-H370 HydrophobicContact CG2-CB 4.43Å; I336-L374 HydrophobicContact CG2-CD1 4.05Å; I336-L374 HydrophobicContact CG2-CD2 3.82Å; I336-L374 HydrophobicContact CG2-CG 4.41Å; I336-I431 HydrophobicContact CD1-CD1 4.11Å
337	R	97.8	Very high	98.2	Very high	97 Å²	97	26.1 Å²	26.1	37%	0.366	13%	0.125	S	C	.	.	H	α-helix	trans	-64	-45	-179.8	-68.9	-173.4	63.5	-170.3	-1.2	112.5	L333 T335 S339 E341	L333-R337 HydrophobicContact CD1-CG 4.27Å; L333-R337 WeakPolarHBondContact O-CG 3.28Å; L333-R337 PolarHBondContact O-N 3.09Å; L333-R337 VanDerWaalsContact O-N 3.08Å; T335-R337 PolarHBondContact O-N 3.26Å; R337-S339 VanDerWaalsContact C-N 3.3Å; R337-S339 PolarHBondContact O-N 2.95Å; R337-E341 HydrophobicContact CB-CG 4.42Å; R337-E341 IonicContact CZ-OE1 3.35Å; R337-E341 IonicContact NE-OE1 2.93Å; R337-E341 PolarHBondContact NE-OE1 3.31Å; R337-E341 IonicContact NH2-OE1 2.87Å; R337-E341 PolarHBondContact NH2-OE1 3.32Å; R337-E341 VanDerWaalsContact O-CB 3.27Å; R337-E341 WeakPolarHBondContact O-CB 3.29Å; R337-E341 VanDerWaalsContact O-CG 3.26Å; R337-E341 WeakPolarHBondContact O-CG 3.38Å; R337-E341 PolarHBondContact O-N 3.11Å
338	S	98.2	Very high	98.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-61.8	-40.1	-179.5	-162.7	0	0	0	0	112.4	G334 T335 A349 C350 S508 T509	G334-S338 WeakPolarHBondContact O-CB 3.4Å; G334-S338 PolarHBondContact O-N 2.84Å; T335-S338 PolarHBondContact O-N 3.35Å; S338-A349 WeakPolarHBondContact O-CA 3.28Å; S338-C350 PolarHBondContact O-N 2.98Å; S338-C350 VanDerWaalsContact OG-CB 3.28Å; S338-C350 WeakPolarHBondContact OG-CB 3.19Å; S338-C350 PolarHBondContact OG-N 3.24Å; S338-S508 PolarHBondContact OG-OG 3.01Å; S338-S508 VanDerWaalsContact OG-OG 3.05Å; S338-T509 WeakPolarHBondContact OG-CG2 3.19Å
339	S	98.7	Very high	98.1	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.007	11%	0.114	C	C	.	.	H	α-helix	trans	-80.4	-38	-174	-47.8	0	0	0	0	112.7	T335 I336 R337 G344 C350	T335-S339 VanDerWaalsContact O-CB 3.32Å; T335-S339 WeakPolarHBondContact O-CB 3.33Å; T335-S339 PolarHBondContact O-N 2.96Å; T335-S339 PolarHBondContact O-OG 2.78Å; I336-S339 PolarHBondContact O-N 2.98Å; R337-S339 VanDerWaalsContact C-N 3.3Å; R337-S339 PolarHBondContact O-N 2.95Å; S339-G344 VanDerWaalsContact O-CA 3.3Å; S339-G344 WeakPolarHBondContact O-CA 3.08Å; S339-C350 WeakPolarHBondContact CA-O 3.05Å; S339-C350 WeakPolarHBondContact CB-O 3.21Å; S339-C350 PolarHBondContact OG-O 2.8Å
340	F	98.7	Very high	98.1	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-117.8	-14.3	-162.7	-55.1	-44.4	0	0	0	115.6	I336 Y342 S343 L374 F385 T386 P429 I431 P449 L451	I336-F340 HydrophobicContact CD1-CD2 4.02Å; I336-F340 HydrophobicContact CD1-CE2 3.74Å; I336-F340 HydrophobicContact CG2-CD2 4.31Å; I336-F340 WeakPolarHBondContact O-CB 3.28Å; I336-F340 WeakPolarHBondContact O-CD2 3.08Å; I336-F340 PolarHBondContact O-N 3.34Å; F340-Y342 PolarHBondContact O-N 2.91Å; F340-S343 PolarHBondContact O-N 2.74Å; F340-L374 HydrophobicContact CD2-CD1 4.04Å; F340-F385 HydrophobicContact CB-CE1 3.68Å; F340-F385 HydrophobicContact CB-CZ 4.27Å; F340-T386 PolarHBondContact O-OG1 3.35Å; F340-P429 HydrophobicContact CB-CB 4.19Å; F340-P429 HydrophobicContact CB-CG 4.16Å; F340-P429 HydrophobicContact CD1-CB 3.65Å; F340-P429 HydrophobicContact CD1-CG 4.34Å; F340-P429 HydrophobicContact CD2-CB 3.81Å; F340-P429 HydrophobicContact CE1-CB 3.88Å; F340-P429 HydrophobicContact CE2-CB 4.01Å; F340-P429 HydrophobicContact CG-CB 3.62Å; F340-P429 HydrophobicContact CG-CG 4.14Å; F340-P429 HydrophobicContact CZ-CB 4.04Å; F340-I431 HydrophobicContact CE2-CD1 4.24Å; F340-I431 HydrophobicContact CE2-CG1 3.94Å; F340-I431 HydrophobicContact CZ-CD1 4.47Å; F340-I431 HydrophobicContact CZ-CG1 3.68Å; F340-P449 HydrophobicContact CD1-CB 3.95Å; F340-P449 WeakPolarHBondContact CE1-O 3.45Å; F340-L451 HydrophobicContact CE1-CB 4.25Å; F340-L451 HydrophobicContact CZ-CB 4Å
341	E	97.9	Very high	98.1	Very high	37 Å²	37	14.3 Å²	14.3	17%	0.173	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-56.4	136.8	167.6	-78.1	174.1	174.9	0	0	109.4	R337 S343 G344 K346 F385	R337-E341 HydrophobicContact CB-CG 4.42Å; R337-E341 IonicContact CZ-OE1 3.35Å; R337-E341 IonicContact NE-OE1 2.93Å; R337-E341 PolarHBondContact NE-OE1 3.31Å; R337-E341 IonicContact NH2-OE1 2.87Å; R337-E341 PolarHBondContact NH2-OE1 3.32Å; R337-E341 VanDerWaalsContact O-CB 3.27Å; R337-E341 WeakPolarHBondContact O-CB 3.29Å; R337-E341 VanDerWaalsContact O-CG 3.26Å; R337-E341 WeakPolarHBondContact O-CG 3.38Å; R337-E341 PolarHBondContact O-N 3.11Å; E341-S343 PolarHBondContact O-N 2.75Å; E341-G344 PolarHBondContact O-N 3.18Å; E341-K346 VanDerWaalsContact O-CE 3.26Å; E341-K346 WeakPolarHBondContact O-CE 3.35Å; E341-K346 IonicContact OE2-NZ 3.7Å; E341-K346 PolarHBondContact OE2-NZ 3.41Å; E341-F385 HydrophobicContact CG-CE2 4.07Å; E341-F385 HydrophobicContact CG-CZ 3.87Å
342	Y	98.3	Very high	98.1	Very high	4 Å²	4	14.4 Å²	14.4	2%	0.016	7%	0.073	C	C	.	.	G	3₁₀ helix	trans	54.4	33.2	-176.2	-167.6	-134.3	0	0	0	113.7	Q150 K152 N210 F340 G344 Q345 K346 T386	Q150-Y342 WeakPolarHBondContact O-CE2 3.44Å; Q150-Y342 PolarHBondContact O-OH 3.12Å; K152-Y342 HydrophobicContact CB-CE2 4.4Å; K152-Y342 HydrophobicContact CD-CD2 4.42Å; K152-Y342 HydrophobicContact CD-CE2 4.16Å; K152-Y342 VanDerWaalsContact CE-CE1 3.47Å; K152-Y342 HydrophobicContact CG-CD2 3.61Å; K152-Y342 HydrophobicContact CG-CE2 3.28Å; K152-Y342 HydrophobicContact CG-CG 4.42Å; N210-Y342 HydrophobicContact CB-CE1 3.95Å; N210-Y342 WeakPolarHBondContact O-CE1 3.41Å; F340-Y342 PolarHBondContact O-N 2.91Å; Y342-G344 PolarHBondContact O-N 2.83Å; Y342-G344 VanDerWaalsContact O-N 3.16Å; Y342-Q345 HydrophobicContact CD1-CB 3.9Å; Y342-Q345 WeakPolarHBondContact CD1-O 3.33Å; Y342-Q345 HydrophobicContact CE1-CB 3.85Å; Y342-Q345 WeakPolarHBondContact CE1-O 3.35Å; Y342-Q345 WeakPolarHBondContact O-CB 3.42Å; Y342-Q345 PolarHBondContact O-N 2.97Å; Y342-K346 HydrophobicContact CD1-CG 4.19Å; Y342-T386 PolarHBondContact N-OG1 3.45Å
343	S	98.5	Very high	98.1	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.007	7%	0.073	C	C	.	.	G	3₁₀ helix	trans	54.4	36.8	177.1	-60.1	0	0	0	0	112.3	F340 E341 Q345 T386 S387 G448 P449	F340-S343 PolarHBondContact O-N 2.74Å; E341-S343 PolarHBondContact O-N 2.75Å; S343-Q345 PolarHBondContact O-N 2.97Å; S343-Q345 VanDerWaalsContact O-N 3.14Å; S343-T386 WeakPolarHBondContact CA-OG1 3.26Å; S343-T386 PolarHBondContact N-OG1 3.39Å; S343-T386 WeakPolarHBondContact OG-CG2 3.33Å; S343-T386 PolarHBondContact OG-OG1 2.77Å; S343-S387 PolarHBondContact OG-O 3.1Å; S343-G448 CarbonylContact O-C 3.56Å; S343-G448 VanDerWaalsContact O-C 3.27Å; S343-G448 WeakPolarHBondContact O-CA 3.49Å; S343-P449 WeakPolarHBondContact O-CD 3.26Å; S343-P449 VanDerWaalsContact O-N 3.1Å
344	G	98.2	Very high	98.2	Very high	2 Å²	2	10.8 Å²	10.8	2%	0.021	5%	0.054	C	C	.	.	G	3₁₀ helix	trans	66.4	10	-178.9	0	0	0	0	0	114.6	S339 E341 Y342 K346	S339-G344 VanDerWaalsContact O-CA 3.3Å; S339-G344 WeakPolarHBondContact O-CA 3.08Å; E341-G344 PolarHBondContact O-N 3.18Å; Y342-G344 PolarHBondContact O-N 2.83Å; Y342-G344 VanDerWaalsContact O-N 3.16Å; G344-K346 PolarHBondContact O-N 2.97Å
345	Q	98.3	Very high	98.2	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.052	C	C	.	.			trans	-83.1	42.3	-178.7	-59.9	178.6	108.2	0	0	112.2	F209 N210 Y342 S343 F447	F209-Q345 HydrophobicContact CE2-CB 4.2Å; F209-Q345 HydrophobicContact CZ-CB 4.29Å; F209-Q345 HydrophobicContact CZ-CG 4.49Å; N210-Q345 WeakPolarHBondContact CB-O 3.34Å; Y342-Q345 HydrophobicContact CD1-CB 3.9Å; Y342-Q345 WeakPolarHBondContact CD1-O 3.33Å; Y342-Q345 HydrophobicContact CE1-CB 3.85Å; Y342-Q345 WeakPolarHBondContact CE1-O 3.35Å; Y342-Q345 WeakPolarHBondContact O-CB 3.42Å; Y342-Q345 PolarHBondContact O-N 2.97Å; S343-Q345 PolarHBondContact O-N 2.97Å; S343-Q345 VanDerWaalsContact O-N 3.14Å; Q345-F447 VanDerWaalsContact C-CE1 3.43Å; Q345-F447 HydrophobicContact CB-CD1 3.97Å; Q345-F447 HydrophobicContact CB-CE1 3.75Å; Q345-F447 HydrophobicContact CG-CD1 4.26Å; Q345-F447 HydrophobicContact CG-CE1 4.49Å; Q345-F447 WeakPolarHBondContact O-CE1 3.47Å; Q345-F447 WeakPolarHBondContact O-CZ 3.43Å
346	K	97.3	Very high	98.2	Very high	18 Å²	18	10.6 Å²	10.6	8%	0.078	5%	0.052	C	C	.	.	S	Bend	trans	-119.2	136.7	175.9	-57.4	177.2	-73.2	-178.5	0	107.7	F211 E341 Y342 G344 S348 A349	F211-K346 HydrophobicContact CE2-CG 4.31Å; E341-K346 VanDerWaalsContact O-CE 3.26Å; E341-K346 WeakPolarHBondContact O-CE 3.35Å; E341-K346 IonicContact OE2-NZ 3.7Å; E341-K346 PolarHBondContact OE2-NZ 3.41Å; Y342-K346 HydrophobicContact CD1-CG 4.19Å; G344-K346 PolarHBondContact O-N 2.97Å; K346-S348 PolarHBondContact O-N 2.77Å; K346-S348 VanDerWaalsContact O-N 3.17Å; K346-A349 HydrophobicContact CB-CB 4.07Å; K346-A349 WeakPolarHBondContact O-CB 3.29Å; K346-A349 PolarHBondContact O-N 3.06Å
347	C	96.6	Very high	98.2	Very high	19 Å²	19	15.2 Å²	15.2	13%	0.128	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-31.1	172.8	52.7	0	0	0	0	111.6	N318 F447 L476	N318-C347 PolarHBondContact ND2-O 3.13Å; C347-F447 HydrophobicContact CB-CE2 4.48Å; C347-L476 HydrophobicContact CB-CD2 3.6Å; C347-L476 VanDerWaalsContact O-CD2 3.32Å; C347-L476 WeakPolarHBondContact O-CD2 3.42Å
348	S	96.8	Very high	98.2	Very high	14 Å²	14	14.1 Å²	14.1	10%	0.098	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	1.9	176.9	50.1	0	0	0	0	115.2	N318 K346 C350 T477 T509	N318-S348 WeakPolarHBondContact ND2-CA 3.36Å; N318-S348 PolarHBondContact ND2-O 2.92Å; K346-S348 PolarHBondContact O-N 2.77Å; K346-S348 VanDerWaalsContact O-N 3.17Å; S348-C350 PolarHBondContact O-N 3.29Å; S348-T477 PolarHBondContact O-OG1 2.95Å; S348-T509 WeakPolarHBondContact O-CG2 3.22Å
349	A	98.2	Very high	98.2	Very high	6 Å²	6	15.9 Å²	15.9	5%	0.05	8%	0.084	C	C	.	.			trans	-58.5	131.9	-179.3	0	0	0	0	0	111.6	N318 S338 K346 S351	N318-A349 PolarHBondContact ND2-N 2.87Å; N318-A349 PolarHBondContact ND2-O 2.86Å; S338-A349 WeakPolarHBondContact O-CA 3.28Å; K346-A349 HydrophobicContact CB-CB 4.07Å; K346-A349 WeakPolarHBondContact O-CB 3.29Å; K346-A349 PolarHBondContact O-N 3.06Å; A349-S351 PolarHBondContact O-N 2.98Å; A349-S351 PolarHBondContact O-OG 3.46Å
350	C	98.5	Very high	98.2	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.014	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	126	174.2	-174.3	0	0	0	0	109.4	H320 S338 S339 S348 R352	H320-C350 VanDerWaalsContact CG-SG 3.56Å; S338-C350 PolarHBondContact O-N 2.98Å; S338-C350 VanDerWaalsContact OG-CB 3.28Å; S338-C350 WeakPolarHBondContact OG-CB 3.19Å; S338-C350 PolarHBondContact OG-N 3.24Å; S339-C350 WeakPolarHBondContact CA-O 3.05Å; S339-C350 WeakPolarHBondContact CB-O 3.21Å; S339-C350 PolarHBondContact OG-O 2.8Å; S348-C350 PolarHBondContact O-N 3.29Å; C350-R352 PolarHBondContact SG-O 2.84Å; C350-R352 VanDerWaalsContact SG-O 3.4Å
351	S	98.1	Very high	98.2	Very high	16 Å²	16	21.2 Å²	21.2	11%	0.112	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	-10	-175.8	29.4	0	0	0	0	113.2	N318 A349 C452	N318-S351 PolarHBondContact O-N 2.96Å; A349-S351 PolarHBondContact O-N 2.98Å; A349-S351 PolarHBondContact O-OG 3.46Å; S351-C452 PolarHBondContact O-N 3.39Å
352	R	98.6	Very high	98.2	Very high	3 Å²	3	25.7 Å²	25.7	1%	0.011	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	135.7	168.9	-62.5	-174.7	-73	164.7	0.2	110.2	K317 N318 Y319 H320 C350 Y354 M442 C452 V468 T472	K317-R352 HydrophobicContact CD-CG 4.44Å; K317-R352 HydrophobicContact CG-CG 4.02Å; K317-R352 VanDerWaalsContact O-CZ 3.28Å; K317-R352 PolarHBondContact O-NE 3.49Å; K317-R352 PolarHBondContact O-NH2 3.18Å; N318-R352 PolarHBondContact O-N 2.91Å; Y319-R352 CarbonylContact C-O 3.45Å; Y319-R352 WeakPolarHBondContact CA-O 3.34Å; H320-R352 PolarHBondContact N-O 3.46Å; C350-R352 PolarHBondContact SG-O 2.84Å; C350-R352 VanDerWaalsContact SG-O 3.4Å; R352-Y354 HydrophobicContact CB-CE2 3.94Å; R352-Y354 PolarHBondContact NH1-OH 3.28Å; R352-Y354 VanDerWaalsContact NH1-OH 3.13Å; R352-M442 HydrophobicContact CB-CE 4.04Å; R352-M442 HydrophobicContact CB-SD 4.32Å; R352-M442 VanDerWaalsContact CD-O 3.26Å; R352-M442 WeakPolarHBondContact CD-O 3.25Å; R352-M442 HydrophobicContact CG-CE 3.98Å; R352-M442 HydrophobicContact CG-SD 3.98Å; R352-C452 CarbonylContact C-O 3.59Å; R352-C452 WeakPolarHBondContact CA-O 3.41Å; R352-V468 PolarHBondContact NH1-O 2.86Å; R352-T472 VanDerWaalsContact CZ-CG2 3.45Å; R352-T472 VanDerWaalsContact NH2-CG2 3.35Å
353	L	98.8	Very high	98.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	130.4	175.2	173.9	68.2	0	0	0	109.3	H320 I322 T335 V355 F363 L367 L451 C452 T453 Y454	H320-L353 HydrophobicContact CB-CD1 3.85Å; H320-L353 WeakPolarHBondContact O-CA 3.27Å; I322-L353 HydrophobicContact CD1-CD1 4.09Å; I322-L353 HydrophobicContact CG1-CD1 3.84Å; T335-L353 HydrophobicContact CG2-CD1 4.24Å; T335-L353 HydrophobicContact CG2-CD2 4.25Å; L353-V355 HydrophobicContact CD1-CG2 3.94Å; L353-V355 HydrophobicContact CD2-CG2 3.78Å; L353-V355 HydrophobicContact CG-CG2 3.58Å; L353-F363 HydrophobicContact CD1-CE1 4.15Å; L353-F363 HydrophobicContact CD1-CZ 4.47Å; L353-F363 HydrophobicContact CD2-CE1 3.72Å; L353-F363 HydrophobicContact CG-CE1 4.45Å; L353-L367 HydrophobicContact CD2-CD1 4.18Å; L353-L451 HydrophobicContact CB-CD1 3.92Å; L353-L451 HydrophobicContact CB-CD2 4.36Å; L353-L451 HydrophobicContact CB-CG 4.24Å; L353-L451 HydrophobicContact CD2-CD2 4.07Å; L353-C452 PolarHBondContact N-O 3.4Å; L353-T453 HydrophobicContact CB-CG2 4.14Å; L353-T453 HydrophobicContact CD2-CG2 3.66Å; L353-T453 HydrophobicContact CG-CG2 3.9Å; L353-T453 CarbonylContact O-C 3.56Å; L353-T453 VanDerWaalsContact O-CA 3.29Å; L353-T453 WeakPolarHBondContact O-CA 3.37Å; L353-Y454 PolarHBondContact O-N 3.41Å
354	Y	98.9	Very high	98.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	121.2	176.1	-58.7	-93.2	0	0	0	109	H320 I322 R352 M442 Y454 T464 L467 V468	H320-Y354 PolarHBondContact O-N 3.21Å; I322-Y354 PolarHBondContact N-O 2.95Å; R352-Y354 HydrophobicContact CB-CE2 3.94Å; R352-Y354 PolarHBondContact NH1-OH 3.28Å; R352-Y354 VanDerWaalsContact NH1-OH 3.13Å; Y354-M442 HydrophobicContact CE1-CE 3.78Å; Y354-M442 HydrophobicContact CE2-CE 4.33Å; Y354-Y454 WeakPolarHBondContact CA-O 3.48Å; Y354-Y454 HydrophobicContact CD1-CD1 4.04Å; Y354-Y454 HydrophobicContact CE1-CD1 4.4Å; Y354-T464 HydrophobicContact CD1-CG2 3.92Å; Y354-T464 HydrophobicContact CG-CG2 4.37Å; Y354-L467 HydrophobicContact CD1-CD2 4.41Å; Y354-L467 HydrophobicContact CE1-CD2 3.87Å; Y354-L467 HydrophobicContact CE1-CG 4.12Å; Y354-V468 HydrophobicContact CD1-CG2 4.25Å; Y354-V468 HydrophobicContact CD2-CG2 3.7Å; Y354-V468 HydrophobicContact CE1-CG2 4.17Å; Y354-V468 HydrophobicContact CE2-CB 4.43Å; Y354-V468 HydrophobicContact CE2-CG2 3.59Å; Y354-V468 HydrophobicContact CG-CG2 4.03Å
355	V	98.9	Very high	98.3	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	139.2	-174.9	-165.5	0	0	0	0	111	I322 L353 E357 W360 F363 T453 Y454 L455 Y456	I322-V355 HydrophobicContact CB-CG1 4.43Å; I322-V355 HydrophobicContact CG1-CG2 4.09Å; L353-V355 HydrophobicContact CD1-CG2 3.94Å; L353-V355 HydrophobicContact CD2-CG2 3.78Å; L353-V355 HydrophobicContact CG-CG2 3.58Å; V355-E357 PolarHBondContact O-N 3.5Å; V355-W360 HydrophobicContact CB-CE3 4.32Å; V355-W360 HydrophobicContact CG1-CE3 4.25Å; V355-W360 HydrophobicContact CG2-CE3 4.25Å; V355-W360 HydrophobicContact CG2-CZ3 4.36Å; V355-F363 HydrophobicContact CG1-CB 4.33Å; V355-F363 HydrophobicContact CG1-CD1 3.93Å; V355-F363 HydrophobicContact CG1-CG 4.27Å; V355-F363 HydrophobicContact CG2-CD1 3.87Å; V355-F363 HydrophobicContact CG2-CE1 3.89Å; V355-T453 HydrophobicContact CG2-CG2 4Å; V355-Y454 PolarHBondContact N-O 3.44Å; V355-Y454 VanDerWaalsContact N-O 3.09Å; V355-L455 HydrophobicContact CB-CD2 4.04Å; V355-L455 CarbonylContact O-C 3.57Å; V355-L455 VanDerWaalsContact O-CA 3.31Å; V355-L455 WeakPolarHBondContact O-CA 3.33Å; V355-Y456 VanDerWaalsContact O-CD1 3.23Å; V355-Y456 WeakPolarHBondContact O-CD1 3.47Å; V355-Y456 PolarHBondContact O-N 3.28Å
356	P	98.7	Very high	98.3	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	130.9	169.8	-22.8	32.9	0	0	0	110.5	I322 P324 N358 L359 W360 Y456 E458	I322-P356 WeakPolarHBondContact O-CD 3.31Å; P324-P356 HydrophobicContact CG-CG 4.06Å; P356-N358 WeakPolarHBondContact CB-OD1 3.38Å; P356-N358 PolarHBondContact O-N 3.37Å; P356-L359 HydrophobicContact CB-CB 4.27Å; P356-L359 HydrophobicContact CB-CD1 4.35Å; P356-L359 HydrophobicContact CB-CG 4.12Å; P356-L359 HydrophobicContact CG-CD1 4.08Å; P356-L359 HydrophobicContact CG-CG 4.39Å; P356-L359 PolarHBondContact O-N 2.57Å; P356-W360 PolarHBondContact O-N 2.95Å; P356-W360 VanDerWaalsContact O-N 3.08Å; P356-Y456 CarbonylContact C-O 3.53Å; P356-Y456 WeakPolarHBondContact CA-O 3.44Å; P356-Y456 HydrophobicContact CG-CE1 3.96Å; P356-Y456 HydrophobicContact CG-CE2 4.3Å; P356-Y456 WeakPolarHBondContact CG-OH 3.49Å; P356-E458 HydrophobicContact CB-CB 4.39Å
357	E	98.2	Very high	98.4	Very high	100 Å²	100	36.2 Å²	36.2	47%	0.467	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-35.6	-177.7	66.4	-176.3	-176.1	0	0	112.7	V355 L359 W360 L455 Y456	V355-E357 PolarHBondContact O-N 3.5Å; E357-L359 VanDerWaalsContact C-N 3.34Å; E357-L359 PolarHBondContact O-N 3.3Å; E357-W360 WeakPolarHBondContact O-CB 3.46Å; E357-W360 PolarHBondContact O-N 3.44Å; E357-L455 HydrophobicContact CB-CB 4.39Å; E357-Y456 PolarHBondContact N-O 2.78Å
358	N	98.2	Very high	98.5	Very high	74 Å²	74	37.3 Å²	37.3	40%	0.396	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-25.5	178.6	65.8	-40.3	0	0	0	113.3	P356 E458	P356-N358 WeakPolarHBondContact CB-OD1 3.38Å; P356-N358 PolarHBondContact O-N 3.37Å; N358-E458 PolarHBondContact ND2-OE2 2.82Å
359	L	98.5	Very high	98.5	Very high	36 Å²	36	38.1 Å²	38.1	19%	0.188	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-16.4	176	-61.7	-170.7	0	0	0	112.7	L328 P356 E357 K362 F363	L328-L359 HydrophobicContact CD1-CB 4.43Å; L328-L359 HydrophobicContact CD2-CD1 4.17Å; P356-L359 HydrophobicContact CB-CB 4.27Å; P356-L359 HydrophobicContact CB-CD1 4.35Å; P356-L359 HydrophobicContact CB-CG 4.12Å; P356-L359 HydrophobicContact CG-CD1 4.08Å; P356-L359 HydrophobicContact CG-CG 4.39Å; P356-L359 PolarHBondContact O-N 2.57Å; E357-L359 VanDerWaalsContact C-N 3.34Å; E357-L359 PolarHBondContact O-N 3.3Å; L359-K362 PolarHBondContact O-N 2.74Å; L359-F363 WeakPolarHBondContact O-CB 3.33Å; L359-F363 PolarHBondContact O-N 3.42Å
360	W	98.6	Very high	98.5	Very high	23 Å²	23	39.6 Å²	39.6	9%	0.087	21%	0.205	C	C	.	.	H	α-helix	trans	-53.9	-44.1	-176	179	-119.4	0	0	0	114.4	V355 P356 E357 K362 F363 K364 L367 V414 I433 T453 L455	V355-W360 HydrophobicContact CB-CE3 4.32Å; V355-W360 HydrophobicContact CG1-CE3 4.25Å; V355-W360 HydrophobicContact CG2-CE3 4.25Å; V355-W360 HydrophobicContact CG2-CZ3 4.36Å; P356-W360 PolarHBondContact O-N 2.95Å; P356-W360 VanDerWaalsContact O-N 3.08Å; E357-W360 WeakPolarHBondContact O-CB 3.46Å; E357-W360 PolarHBondContact O-N 3.44Å; W360-K362 VanDerWaalsContact C-N 3.34Å; W360-K362 PolarHBondContact O-N 2.9Å; W360-F363 HydrophobicContact CE3-CD1 4.05Å; W360-F363 AromaticContact CZ3-CD1 3.87Å; W360-F363 HydrophobicContact CZ3-CD1 3.87Å; W360-F363 PolarHBondContact O-N 3.2Å; W360-K364 HydrophobicContact CD2-CB 4.08Å; W360-K364 HydrophobicContact CE3-CB 4.41Å; W360-K364 HydrophobicContact CH2-CB 4.11Å; W360-K364 HydrophobicContact CH2-CG 4.39Å; W360-K364 HydrophobicContact CZ2-CB 3.73Å; W360-K364 HydrophobicContact CZ2-CD 3.73Å; W360-K364 HydrophobicContact CZ2-CG 3.8Å; W360-K364 HydrophobicContact CZ3-CB 4.44Å; W360-K364 WeakPolarHBondContact O-CB 3.39Å; W360-K364 PolarHBondContact O-N 2.87Å; W360-L367 HydrophobicContact CH2-CD1 4.11Å; W360-L367 HydrophobicContact CZ3-CD1 3.93Å; W360-V414 HydrophobicContact CZ2-CG2 4.25Å; W360-I433 HydrophobicContact CH2-CD1 4.41Å; W360-I433 HydrophobicContact CH2-CG1 4.38Å; W360-I433 HydrophobicContact CZ2-CD1 3.42Å; W360-I433 VanDerWaalsContact CZ2-CD1 3.42Å; W360-I433 HydrophobicContact CZ2-CG1 3.82Å; W360-T453 HydrophobicContact CH2-CG2 4.32Å; W360-T453 HydrophobicContact CZ3-CG2 4Å; W360-L455 HydrophobicContact CB-CD1 4.09Å; W360-L455 HydrophobicContact CB-CD2 3.93Å; W360-L455 HydrophobicContact CD2-CD1 4.21Å; W360-L455 HydrophobicContact CD2-CD2 3.6Å; W360-L455 HydrophobicContact CE3-CD2 3.71Å; W360-L455 HydrophobicContact CG-CD1 3.67Å; W360-L455 HydrophobicContact CG-CD2 3.68Å; W360-L455 HydrophobicContact CG-CG 4.35Å; W360-L455 HydrophobicContact CZ3-CD2 4.46Å
361	P	98.5	Very high	98.5	Very high	91 Å²	91	41.2 Å²	41.2	59%	0.591	21%	0.211	S	C	*	.	H	α-helix	trans	-57.2	-45.7	-179.2	-26.7	35.8	0	0	0	113.1	Q365	P361-Q365 PolarHBondContact O-N 3Å
362	K	98.6	Very high	98.5	Very high	131 Å²	131	48 Å²	48	57%	0.57	24%	0.241	S	C	*	.	H	α-helix	trans	-70.8	-41.6	177.5	-178.1	172.7	174.5	-175.9	0	111.5	L328 L359 W360 Q365 L366	L328-K362 HydrophobicContact CD1-CB 4.27Å; L328-K362 HydrophobicContact CD1-CD 3.88Å; L328-K362 HydrophobicContact CD1-CG 4.01Å; L359-K362 PolarHBondContact O-N 2.74Å; W360-K362 VanDerWaalsContact C-N 3.34Å; W360-K362 PolarHBondContact O-N 2.9Å; K362-Q365 WeakPolarHBondContact O-CB 3.46Å; K362-Q365 PolarHBondContact O-N 2.86Å; K362-L366 HydrophobicContact CG-CD1 4.3Å; K362-L366 WeakPolarHBondContact O-CG 3.28Å; K362-L366 PolarHBondContact O-N 2.89Å; K362-L366 VanDerWaalsContact O-N 3.17Å
363	F	98.7	Very high	98.5	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-66.5	-41.8	180	-167.7	-114.5	0	0	0	112.5	I322 L328 A331 A332 L353 V355 L359 W360 Q365 L366 L367	I322-F363 HydrophobicContact CD1-CZ 4.2Å; I322-F363 HydrophobicContact CG1-CE1 4.32Å; I322-F363 HydrophobicContact CG1-CZ 4.1Å; L328-F363 HydrophobicContact CB-CD2 4.2Å; L328-F363 HydrophobicContact CD2-CD2 3.88Å; A331-F363 HydrophobicContact CB-CE2 3.66Å; A331-F363 HydrophobicContact CB-CZ 4.21Å; A332-F363 HydrophobicContact CB-CD2 4.27Å; A332-F363 HydrophobicContact CB-CE2 3.8Å; A332-F363 HydrophobicContact CB-CZ 4.36Å; L353-F363 HydrophobicContact CD1-CE1 4.15Å; L353-F363 HydrophobicContact CD1-CZ 4.47Å; L353-F363 HydrophobicContact CD2-CE1 3.72Å; L353-F363 HydrophobicContact CG-CE1 4.45Å; V355-F363 HydrophobicContact CG1-CB 4.33Å; V355-F363 HydrophobicContact CG1-CD1 3.93Å; V355-F363 HydrophobicContact CG1-CG 4.27Å; V355-F363 HydrophobicContact CG2-CD1 3.87Å; V355-F363 HydrophobicContact CG2-CE1 3.89Å; L359-F363 WeakPolarHBondContact O-CB 3.33Å; L359-F363 PolarHBondContact O-N 3.42Å; W360-F363 HydrophobicContact CE3-CD1 4.05Å; W360-F363 AromaticContact CZ3-CD1 3.87Å; W360-F363 HydrophobicContact CZ3-CD1 3.87Å; W360-F363 PolarHBondContact O-N 3.2Å; F363-Q365 VanDerWaalsContact C-N 3.32Å; F363-Q365 PolarHBondContact O-N 3Å; F363-L366 PolarHBondContact O-N 3.39Å; F363-L367 HydrophobicContact CD1-CD1 3.64Å; F363-L367 HydrophobicContact CD1-CG 4.1Å; F363-L367 HydrophobicContact CE1-CD1 3.46Å; F363-L367 VanDerWaalsContact CE1-CD1 3.46Å; F363-L367 HydrophobicContact CE1-CD2 4.24Å; F363-L367 HydrophobicContact CE1-CG 3.86Å; F363-L367 HydrophobicContact CZ-CD1 4.23Å; F363-L367 HydrophobicContact CZ-CD2 4.21Å; F363-L367 HydrophobicContact CZ-CG 4.16Å; F363-L367 WeakPolarHBondContact O-CB 3.42Å; F363-L367 WeakPolarHBondContact O-CG 3.38Å; F363-L367 PolarHBondContact O-N 3.41Å
364	K	98.7	Very high	98.4	Very high	58 Å²	58	56 Å²	56	25%	0.252	28%	0.279	S	S	.	.	H	α-helix	trans	-57	-45.1	172.8	-178.8	172.7	176.5	161.7	0	110.9	W360 L366 L367 L368 E412 V414	W360-K364 HydrophobicContact CD2-CB 4.08Å; W360-K364 HydrophobicContact CE3-CB 4.41Å; W360-K364 HydrophobicContact CH2-CB 4.11Å; W360-K364 HydrophobicContact CH2-CG 4.39Å; W360-K364 HydrophobicContact CZ2-CB 3.73Å; W360-K364 HydrophobicContact CZ2-CD 3.73Å; W360-K364 HydrophobicContact CZ2-CG 3.8Å; W360-K364 HydrophobicContact CZ3-CB 4.44Å; W360-K364 WeakPolarHBondContact O-CB 3.39Å; W360-K364 PolarHBondContact O-N 2.87Å; K364-L366 PolarHBondContact O-N 3.44Å; K364-L367 PolarHBondContact O-N 2.97Å; K364-L368 HydrophobicContact CG-CD1 3.94Å; K364-L368 HydrophobicContact CG-CG 4.34Å; K364-L368 WeakPolarHBondContact O-CB 3.2Å; K364-L368 VanDerWaalsContact O-CG 3.27Å; K364-L368 WeakPolarHBondContact O-CG 3.44Å; K364-L368 PolarHBondContact O-N 3.11Å; K364-E412 IonicContact NZ-OE1 3.18Å; K364-E412 PolarHBondContact NZ-OE1 3.09Å; K364-V414 HydrophobicContact CD-CG1 4.31Å; K364-V414 HydrophobicContact CG-CG1 4.34Å
365	Q	98.7	Very high	98.4	Very high	143 Å²	143	59.5 Å²	59.5	67%	0.668	29%	0.294	S	S	*	.	H	α-helix	trans	-58.6	-46.4	176.6	-173.6	-175.8	21.4	0	0	112	P361 K362 F363 L368 G369	P361-Q365 PolarHBondContact O-N 3Å; K362-Q365 WeakPolarHBondContact O-CB 3.46Å; K362-Q365 PolarHBondContact O-N 2.86Å; F363-Q365 VanDerWaalsContact C-N 3.32Å; F363-Q365 PolarHBondContact O-N 3Å; Q365-L368 PolarHBondContact O-N 2.95Å; Q365-G369 PolarHBondContact O-N 2.94Å
366	L	98.7	Very high	98.3	Very high	43 Å²	43	62 Å²	62	23%	0.225	31%	0.307	C	S	.	.	H	α-helix	trans	-67.2	-43.3	179.1	-66.6	163.4	0	0	0	112	L328 A332 K362 F363 K364 L368 G369 H370	L328-L366 HydrophobicContact CB-CD1 3.73Å; A332-L366 HydrophobicContact CB-CB 3.65Å; K362-L366 HydrophobicContact CG-CD1 4.3Å; K362-L366 WeakPolarHBondContact O-CG 3.28Å; K362-L366 PolarHBondContact O-N 2.89Å; K362-L366 VanDerWaalsContact O-N 3.17Å; F363-L366 PolarHBondContact O-N 3.39Å; K364-L366 PolarHBondContact O-N 3.44Å; L366-L368 VanDerWaalsContact C-N 3.35Å; L366-L368 PolarHBondContact O-N 2.84Å; L366-G369 PolarHBondContact O-N 3.37Å; L366-H370 PolarHBondContact O-CD2 3.4Å; L366-H370 VanDerWaalsContact O-CD2 3.25Å; L366-H370 PolarHBondContact O-N 2.82Å; L366-H370 VanDerWaalsContact O-N 3.13Å
367	L	98.3	Very high	98.3	Very high	2 Å²	2	62.6 Å²	62.6	1%	0.01	31%	0.313	C	S	.	.	H	α-helix	trans	-57.8	-47.6	174.6	-79.2	176.9	0	0	0	111.3	A332 T335 I336 L353 W360 F363 K364 H370 Y371	A332-L367 HydrophobicContact CB-CD2 4.01Å; A332-L367 HydrophobicContact CB-CG 4.19Å; T335-L367 HydrophobicContact CG2-CD2 4.18Å; I336-L367 HydrophobicContact CD1-CD2 4.04Å; I336-L367 HydrophobicContact CG1-CD2 3.93Å; L353-L367 HydrophobicContact CD2-CD1 4.18Å; W360-L367 HydrophobicContact CH2-CD1 4.11Å; W360-L367 HydrophobicContact CZ3-CD1 3.93Å; F363-L367 HydrophobicContact CD1-CD1 3.64Å; F363-L367 HydrophobicContact CD1-CG 4.1Å; F363-L367 HydrophobicContact CE1-CD1 3.46Å; F363-L367 VanDerWaalsContact CE1-CD1 3.46Å; F363-L367 HydrophobicContact CE1-CD2 4.24Å; F363-L367 HydrophobicContact CE1-CG 3.86Å; F363-L367 HydrophobicContact CZ-CD1 4.23Å; F363-L367 HydrophobicContact CZ-CD2 4.21Å; F363-L367 HydrophobicContact CZ-CG 4.16Å; F363-L367 WeakPolarHBondContact O-CB 3.42Å; F363-L367 WeakPolarHBondContact O-CG 3.38Å; F363-L367 PolarHBondContact O-N 3.41Å; K364-L367 PolarHBondContact O-N 2.97Å; L367-H370 PolarHBondContact O-N 2.87Å; L367-Y371 VanDerWaalsContact O-CB 3.26Å; L367-Y371 WeakPolarHBondContact O-CB 3.47Å; L367-Y371 PolarHBondContact O-N 3.34Å
368	L	98.6	Very high	98.3	Very high	42 Å²	42	59.1 Å²	59.1	22%	0.22	30%	0.3	C	S	.	.	H	α-helix	trans	-66.7	-38.8	179.8	-70	179.4	0	0	0	112	K364 Q365 L366 H370 Y371 E372 V414 A415	K364-L368 HydrophobicContact CG-CD1 3.94Å; K364-L368 HydrophobicContact CG-CG 4.34Å; K364-L368 WeakPolarHBondContact O-CB 3.2Å; K364-L368 VanDerWaalsContact O-CG 3.27Å; K364-L368 WeakPolarHBondContact O-CG 3.44Å; K364-L368 PolarHBondContact O-N 3.11Å; Q365-L368 PolarHBondContact O-N 2.95Å; L366-L368 VanDerWaalsContact C-N 3.35Å; L366-L368 PolarHBondContact O-N 2.84Å; L368-H370 VanDerWaalsContact C-N 3.3Å; L368-H370 PolarHBondContact O-N 3Å; L368-Y371 WeakPolarHBondContact O-CB 3.45Å; L368-Y371 PolarHBondContact O-N 3.43Å; L368-Y371 VanDerWaalsContact O-N 3.12Å; L368-E372 WeakPolarHBondContact O-CG 3.29Å; L368-E372 PolarHBondContact O-N 3.35Å; L368-V414 HydrophobicContact CD2-CG1 4.16Å; L368-A415 HydrophobicContact CD2-CB 3.8Å
369	G	98.4	Very high	98.3	Very high	31 Å²	31	55.7 Å²	55.7	32%	0.32	28%	0.282	S	S	.	.	H	α-helix	trans	-61.1	-35.7	175.2	0	0	0	0	0	113.5	Q365 L366 Q373	Q365-G369 PolarHBondContact O-N 2.94Å; L366-G369 PolarHBondContact O-N 3.37Å; G369-Q373 PolarHBondContact O-NE2 3Å
370	H	98.2	Very high	98.2	Very high	37 Å²	37	56.8 Å²	56.8	17%	0.171	29%	0.287	C	S	.	.	H	α-helix	trans	-77.4	-36.2	171.1	-71.3	-53.9	0	0	0	112.8	I336 L366 L367 L368 E372 Q373	I336-H370 HydrophobicContact CB-CB 4.44Å; I336-H370 HydrophobicContact CG1-CB 3.87Å; I336-H370 HydrophobicContact CG2-CB 4.43Å; L366-H370 PolarHBondContact O-CD2 3.4Å; L366-H370 VanDerWaalsContact O-CD2 3.25Å; L366-H370 PolarHBondContact O-N 2.82Å; L366-H370 VanDerWaalsContact O-N 3.13Å; L367-H370 PolarHBondContact O-N 2.87Å; L368-H370 VanDerWaalsContact C-N 3.3Å; L368-H370 PolarHBondContact O-N 3Å; H370-E372 VanDerWaalsContact C-N 3.35Å; H370-E372 PolarHBondContact O-N 3.41Å; H370-Q373 WeakPolarHBondContact O-CB 3.28Å; H370-Q373 PolarHBondContact O-N 2.84Å
371	Y	98.5	Very high	98	Very high	36 Å²	36	59.3 Å²	59.3	14%	0.141	30%	0.302	C	S	.	.	H	α-helix	trans	-60.3	-41.8	177.6	177.1	-85.4	0	0	0	112.2	L367 L368 Q373 L374 A415 G416 P429 I431	L367-Y371 VanDerWaalsContact O-CB 3.26Å; L367-Y371 WeakPolarHBondContact O-CB 3.47Å; L367-Y371 PolarHBondContact O-N 3.34Å; L368-Y371 WeakPolarHBondContact O-CB 3.45Å; L368-Y371 PolarHBondContact O-N 3.43Å; L368-Y371 VanDerWaalsContact O-N 3.12Å; Y371-Q373 PolarHBondContact O-N 3.25Å; Y371-L374 HydrophobicContact CD2-CD1 4.2Å; Y371-L374 WeakPolarHBondContact O-CB 3.28Å; Y371-L374 VanDerWaalsContact O-CG 3.25Å; Y371-L374 WeakPolarHBondContact O-CG 3.03Å; Y371-L374 PolarHBondContact O-N 3.18Å; Y371-A415 HydrophobicContact CD1-CB 4.12Å; Y371-A415 HydrophobicContact CD2-CB 4.16Å; Y371-A415 HydrophobicContact CE1-CB 3.85Å; Y371-A415 HydrophobicContact CE2-CB 3.84Å; Y371-A415 HydrophobicContact CG-CB 4.3Å; Y371-G416 WeakPolarHBondContact OH-CA 3.29Å; Y371-G416 PolarHBondContact OH-N 3.01Å; Y371-P429 HydrophobicContact CD2-CB 4.49Å; Y371-P429 HydrophobicContact CE2-CB 3.88Å; Y371-P429 VanDerWaalsContact CE2-O 3.25Å; Y371-P429 WeakPolarHBondContact CE2-O 3.07Å; Y371-P429 PolarHBondContact OH-O 3.21Å; Y371-P429 VanDerWaalsContact OH-O 3.1Å; Y371-I431 HydrophobicContact CD2-CD1 3.98Å
372	E	98.1	Very high	97.6	Very high	158 Å²	158	58.7 Å²	58.7	74%	0.738	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-19.1	179.5	-73.5	172.3	178.6	0	0	113.3	L368 H370 L374	L368-E372 WeakPolarHBondContact O-CG 3.29Å; L368-E372 PolarHBondContact O-N 3.35Å; H370-E372 VanDerWaalsContact C-N 3.35Å; H370-E372 PolarHBondContact O-N 3.41Å; E372-L374 VanDerWaalsContact C-N 3.34Å
373	Q	97.4	Very high	97.4	Very high	145 Å²	145	57 Å²	57	68%	0.678	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-7.8	176.7	-62.1	172.3	52.8	0	0	112.8	G369 H370 Y371 K375	G369-Q373 PolarHBondContact O-NE2 3Å; H370-Q373 WeakPolarHBondContact O-CB 3.28Å; H370-Q373 PolarHBondContact O-N 2.84Å; Y371-Q373 PolarHBondContact O-N 3.25Å; Q373-K375 PolarHBondContact O-N 2.86Å
374	L	97.9	Very high	97.3	Very high	27 Å²	27	57.4 Å²	57.4	14%	0.141	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-76.7	118	-176.1	-54.4	-177.5	0	0	0	110.4	I336 F340 Y371 E372 F385 P429	I336-L374 HydrophobicContact CG2-CD1 4.05Å; I336-L374 HydrophobicContact CG2-CD2 3.82Å; I336-L374 HydrophobicContact CG2-CG 4.41Å; F340-L374 HydrophobicContact CD2-CD1 4.04Å; Y371-L374 HydrophobicContact CD2-CD1 4.2Å; Y371-L374 WeakPolarHBondContact O-CB 3.28Å; Y371-L374 VanDerWaalsContact O-CG 3.25Å; Y371-L374 WeakPolarHBondContact O-CG 3.03Å; Y371-L374 PolarHBondContact O-N 3.18Å; E372-L374 VanDerWaalsContact C-N 3.34Å; L374-F385 HydrophobicContact CB-CD1 4.31Å; L374-F385 HydrophobicContact CD1-CD1 4.43Å; L374-F385 HydrophobicContact CD1-CE1 4.3Å; L374-F385 HydrophobicContact CD2-CB 4.43Å; L374-F385 HydrophobicContact CD2-CD1 3.68Å; L374-F385 HydrophobicContact CD2-CD2 3.84Å; L374-F385 HydrophobicContact CD2-CE1 3.79Å; L374-F385 HydrophobicContact CD2-CE2 3.95Å; L374-F385 HydrophobicContact CD2-CG 3.7Å; L374-F385 HydrophobicContact CD2-CZ 3.92Å; L374-F385 HydrophobicContact CG-CD1 4.34Å; L374-P429 HydrophobicContact CD1-CB 4.24Å; L374-P429 HydrophobicContact CD1-CG 4.21Å
375	K	97.8	Very high	97.3	Very high	72 Å²	72	56.9 Å²	56.9	31%	0.313	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-92.5	123.1	167.3	-174.8	177.9	179.7	-179.7	0	110.7	Q373 D383 F385 T386	Q373-K375 PolarHBondContact O-N 2.86Å; K375-D383 WeakPolarHBondContact CB-O 3.17Å; K375-D383 HydrophobicContact CD-CB 4.26Å; K375-D383 WeakPolarHBondContact CD-OD1 3.35Å; K375-D383 WeakPolarHBondContact CD-OD2 2.95Å; K375-D383 IonicContact NZ-OD1 2.63Å; K375-D383 PolarHBondContact NZ-OD1 2.85Å; K375-D383 IonicContact NZ-OD2 2.8Å; K375-D383 PolarHBondContact NZ-OD2 3.16Å; K375-F385 WeakPolarHBondContact O-CB 3.22Å; K375-F385 PolarHBondContact O-N 2.94Å; K375-T386 PolarHBondContact O-N 3.06Å
376	I	98.2	Very high	97.3	Very high	54 Å²	54	50 Å²	50	28%	0.277	27%	0.266	S	S	.	.	B	Isolated β-bridge	trans	-102.2	123.5	171	-55.5	87.2	0	0	0	107.6	T386 F426 P429	I376-T386 WeakPolarHBondContact CA-O 3.29Å; I376-T386 HydrophobicContact CG1-CG2 4.13Å; I376-F426 HydrophobicContact CG2-CD1 4.03Å; I376-P429 HydrophobicContact CD1-CG 4.33Å; I376-P429 HydrophobicContact CG1-CG 4.25Å
377	G	97.7	Very high	97.3	Very high	11 Å²	11	48 Å²	48	11%	0.113	26%	0.256	C	S	.	.	S	Bend	trans	-175.9	-162.3	-175	0	0	0	0	0	114.5	T386 S387	G377-T386 PolarHBondContact N-O 2.61Å; G377-S387 WeakPolarHBondContact O-CA 3.36Å; G377-S387 VanDerWaalsContact O-CB 3.25Å; G377-S387 WeakPolarHBondContact O-CB 3.3Å; G377-S387 PolarHBondContact O-OG 2.7Å
378	S	97.9	Very high	97.3	Very high	28 Å²	28	48 Å²	48	20%	0.196	26%	0.255	C	S	.	.			trans	-62.1	137.7	175	177.9	0	0	0	0	109.9	L380 D381 T384	S378-L380 PolarHBondContact O-N 2.97Å; S378-L380 VanDerWaalsContact O-N 3.17Å; S378-L380 WeakPolarHBondContact OG-CB 3.37Å; S378-L380 PolarHBondContact OG-N 3.23Å; S378-D381 PolarHBondContact O-N 3.23Å; S378-D381 VanDerWaalsContact O-N 3.16Å; S378-T384 VanDerWaalsContact O-CB 3.28Å; S378-T384 WeakPolarHBondContact O-CB 3.34Å; S378-T384 PolarHBondContact O-OG1 3.46Å
379	P	97.6	Very high	97.3	Very high	2 Å²	2	46 Å²	46	1%	0.013	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-6.3	176	35.5	-36.3	0	0	0	112.3	F84 I147 K152 S387	F84-P379 HydrophobicContact CD1-CG 3.46Å; F84-P379 VanDerWaalsContact CD1-CG 3.46Å; F84-P379 HydrophobicContact CD2-CG 4.44Å; F84-P379 HydrophobicContact CE1-CG 3.41Å; F84-P379 VanDerWaalsContact CE1-CG 3.41Å; F84-P379 HydrophobicContact CE2-CG 4.39Å; F84-P379 HydrophobicContact CG-CG 4Å; F84-P379 HydrophobicContact CZ-CG 3.91Å; I147-P379 HydrophobicContact CG2-CB 4.03Å; I147-P379 HydrophobicContact CG2-CG 4.05Å; K152-P379 VanDerWaalsContact O-CB 3.29Å; K152-P379 WeakPolarHBondContact O-CB 3.32Å; P379-S387 WeakPolarHBondContact CD-OG 3.24Å
380	L	96.8	Very high	97.3	Very high	58 Å²	58	44.8 Å²	44.8	30%	0.304	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-21.4	173.3	-54.4	178.5	0	0	0	112.2	L52 I56 F84 I147 L148 S378	L52-L380 HydrophobicContact CD1-CD2 4.11Å; L52-L380 HydrophobicContact CD2-CD2 3.96Å; L52-L380 HydrophobicContact CG-CD2 4.48Å; I56-L380 HydrophobicContact CD1-CD1 3.82Å; I56-L380 HydrophobicContact CD1-CD2 4.46Å; F84-L380 HydrophobicContact CE2-CD1 4.25Å; F84-L380 HydrophobicContact CE2-CG 4.43Å; F84-L380 HydrophobicContact CZ-CD1 4.49Å; F84-L380 HydrophobicContact CZ-CG 4.45Å; I147-L380 HydrophobicContact CG2-CD2 4.2Å; L148-L380 HydrophobicContact CD2-CD2 3.95Å; S378-L380 PolarHBondContact O-N 2.97Å; S378-L380 VanDerWaalsContact O-N 3.17Å; S378-L380 WeakPolarHBondContact OG-CB 3.37Å; S378-L380 PolarHBondContact OG-N 3.23Å
381	D	95.6	Very high	97.3	Very high	76 Å²	76	45 Å²	45	41%	0.406	23%	0.234	S	C	.	.	S	Bend	trans	-79.1	130.8	175.9	-57.3	-33	0	0	0	109.9	S378 D383 T384	S378-D381 PolarHBondContact O-N 3.23Å; S378-D381 VanDerWaalsContact O-N 3.16Å; D381-D383 VanDerWaalsContact C-N 3.26Å; D381-D383 PolarHBondContact O-N 3.16Å; D381-T384 WeakPolarHBondContact O-CB 3.33Å; D381-T384 PolarHBondContact O-N 2.88Å
382	S	89.9	Confident	97.3	Very high	78 Å²	78	47.6 Å²	47.6	55%	0.545	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-21.4	-171.1	53.6	0	0	0	0	115.5
383	D	93.6	Very high	97.3	Very high	95 Å²	95	44.9 Å²	44.9	51%	0.508	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	0.6	-178.4	60.9	-26.1	0	0	0	112.6	K375 D381 F385	K375-D383 WeakPolarHBondContact CB-O 3.17Å; K375-D383 HydrophobicContact CD-CB 4.26Å; K375-D383 WeakPolarHBondContact CD-OD1 3.35Å; K375-D383 WeakPolarHBondContact CD-OD2 2.95Å; K375-D383 IonicContact NZ-OD1 2.63Å; K375-D383 PolarHBondContact NZ-OD1 2.85Å; K375-D383 IonicContact NZ-OD2 2.8Å; K375-D383 PolarHBondContact NZ-OD2 3.16Å; D381-D383 VanDerWaalsContact C-N 3.26Å; D381-D383 PolarHBondContact O-N 3.16Å; D383-F385 PolarHBondContact O-N 3.36Å
384	T	97.8	Very high	97.4	Very high	10 Å²	10	38.8 Å²	38.8	6%	0.061	22%	0.216	C	C	.	.			trans	-63.4	121.6	173.7	-71.9	0	0	0	0	110.3	T153 S378 D381 T386	T153-T384 HydrophobicContact CG2-CG2 4.27Å; T153-T384 WeakPolarHBondContact CG2-O 3.37Å; S378-T384 VanDerWaalsContact O-CB 3.28Å; S378-T384 WeakPolarHBondContact O-CB 3.34Å; S378-T384 PolarHBondContact O-OG1 3.46Å; D381-T384 WeakPolarHBondContact O-CB 3.33Å; D381-T384 PolarHBondContact O-N 2.88Å; T384-T386 WeakPolarHBondContact CG2-O 3.24Å
385	F	98	Very high	97.4	Very high	46 Å²	46	37.9 Å²	37.9	20%	0.202	21%	0.21	C	C	.	.	S	Bend	trans	-79.4	-43.8	173.8	172.2	-95.5	0	0	0	111.1	T153 Q156 F340 E341 L374 K375 D383	T153-F385 WeakPolarHBondContact CG2-O 3.49Å; Q156-F385 PolarHBondContact NE2-O 3.24Å; F340-F385 HydrophobicContact CB-CE1 3.68Å; F340-F385 HydrophobicContact CB-CZ 4.27Å; E341-F385 HydrophobicContact CG-CE2 4.07Å; E341-F385 HydrophobicContact CG-CZ 3.87Å; L374-F385 HydrophobicContact CB-CD1 4.31Å; L374-F385 HydrophobicContact CD1-CD1 4.43Å; L374-F385 HydrophobicContact CD1-CE1 4.3Å; L374-F385 HydrophobicContact CD2-CB 4.43Å; L374-F385 HydrophobicContact CD2-CD1 3.68Å; L374-F385 HydrophobicContact CD2-CD2 3.84Å; L374-F385 HydrophobicContact CD2-CE1 3.79Å; L374-F385 HydrophobicContact CD2-CE2 3.95Å; L374-F385 HydrophobicContact CD2-CG 3.7Å; L374-F385 HydrophobicContact CD2-CZ 3.92Å; L374-F385 HydrophobicContact CG-CD1 4.34Å; K375-F385 WeakPolarHBondContact O-CB 3.22Å; K375-F385 PolarHBondContact O-N 2.94Å; D383-F385 PolarHBondContact O-N 3.36Å
386	T	98.2	Very high	97.5	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-149.9	159	176.3	-157.7	0	0	0	0	112.3	F340 Y342 S343 K375 I376 G377 T384 P429	F340-T386 PolarHBondContact O-OG1 3.35Å; Y342-T386 PolarHBondContact N-OG1 3.45Å; S343-T386 WeakPolarHBondContact CA-OG1 3.26Å; S343-T386 PolarHBondContact N-OG1 3.39Å; S343-T386 WeakPolarHBondContact OG-CG2 3.33Å; S343-T386 PolarHBondContact OG-OG1 2.77Å; K375-T386 PolarHBondContact O-N 3.06Å; I376-T386 WeakPolarHBondContact CA-O 3.29Å; I376-T386 HydrophobicContact CG1-CG2 4.13Å; G377-T386 PolarHBondContact N-O 2.61Å; T384-T386 WeakPolarHBondContact CG2-O 3.24Å; T386-P429 HydrophobicContact CG2-CG 4.35Å
387	S	98.5	Very high	97.5	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.007	22%	0.219	C	C	.	.			trans	-123.1	-162.8	-172.9	-163.5	0	0	0	0	112.6	A151 S343 G377 P379	A151-S387 WeakPolarHBondContact O-CB 3.23Å; S343-S387 PolarHBondContact OG-O 3.1Å; G377-S387 WeakPolarHBondContact O-CA 3.36Å; G377-S387 VanDerWaalsContact O-CB 3.25Å; G377-S387 WeakPolarHBondContact O-CB 3.3Å; G377-S387 PolarHBondContact O-OG 2.7Å; P379-S387 WeakPolarHBondContact CD-OG 3.24Å
388	A	98.6	Very high	97.5	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.008	21%	0.214	C	C	.	.			trans	-60.6	153.6	179.8	0	0	0	0	0	112.9	P83 F84 Y425 F426	P83-A388 VanDerWaalsContact C-CB 3.49Å; P83-A388 HydrophobicContact CB-CB 4.14Å; P83-A388 VanDerWaalsContact O-CB 3.23Å; P83-A388 WeakPolarHBondContact O-CB 3.32Å; F84-A388 HydrophobicContact CB-CB 4.05Å; A388-Y425 CarbonylContact C-O 3.58Å; A388-Y425 VanDerWaalsContact CA-O 3.23Å; A388-Y425 WeakPolarHBondContact CA-O 3.3Å; A388-Y425 WeakPolarHBondContact CB-O 3.2Å; A388-F426 HydrophobicContact CB-CD1 3.98Å; A388-F426 HydrophobicContact CB-CE1 3.93Å; A388-F426 HydrophobicContact CB-CG 4.45Å; A388-F426 HydrophobicContact CB-CZ 4.37Å
389	V	98.8	Very high	97.6	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	21%	0.206	C	C	.	.			trans	-73.6	156.9	167.3	-59.7	0	0	0	0	110.2	P83 D391 A394 F395 I398 Y425 I427	P83-V389 WeakPolarHBondContact CB-O 3.33Å; V389-D391 VanDerWaalsContact C-N 3.31Å; V389-D391 PolarHBondContact O-N 3.4Å; V389-D391 VanDerWaalsContact O-N 3.15Å; V389-A394 HydrophobicContact CB-CB 4.36Å; V389-A394 HydrophobicContact CG2-CB 4.21Å; V389-F395 HydrophobicContact CG2-CB 3.97Å; V389-F395 HydrophobicContact CG2-CD2 4.43Å; V389-I398 HydrophobicContact CB-CD1 4.33Å; V389-I398 HydrophobicContact CG1-CD1 3.8Å; V389-I398 HydrophobicContact CG2-CD1 4.46Å; V389-Y425 WeakPolarHBondContact CG2-O 3.27Å; V389-Y425 PolarHBondContact N-O 2.84Å; V389-I427 HydrophobicContact CG1-CD1 4.18Å; V389-I427 HydrophobicContact CG1-CG1 4.42Å; V389-I427 HydrophobicContact CG2-CD1 4.14Å; V389-I427 HydrophobicContact CG2-CG1 4.49Å
390	I	98.7	Very high	97.6	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.021	23%	0.225	C	C	.	.	S	Bend	trans	-59.6	-34.3	-160.9	-168.3	65.8	0	0	0	115	P83 Q150 F209 T236 A394	P83-I390 HydrophobicContact CG-CD1 4.14Å; P83-I390 WeakPolarHBondContact CG-O 3.31Å; Q150-I390 HydrophobicContact CB-CD1 4.23Å; Q150-I390 HydrophobicContact CG-CD1 4.26Å; F209-I390 HydrophobicContact CB-CG1 4.21Å; F209-I390 HydrophobicContact CD1-CG2 4.27Å; F209-I390 HydrophobicContact CD2-CB 3.7Å; F209-I390 HydrophobicContact CD2-CD1 3.72Å; F209-I390 HydrophobicContact CD2-CG1 3.42Å; F209-I390 VanDerWaalsContact CD2-CG1 3.42Å; F209-I390 HydrophobicContact CD2-CG2 3.98Å; F209-I390 HydrophobicContact CE1-CG2 3.95Å; F209-I390 HydrophobicContact CE2-CB 3.53Å; F209-I390 HydrophobicContact CE2-CD1 4.31Å; F209-I390 HydrophobicContact CE2-CG1 3.84Å; F209-I390 HydrophobicContact CE2-CG2 3.64Å; F209-I390 HydrophobicContact CG-CB 4.35Å; F209-I390 HydrophobicContact CG-CD1 4.41Å; F209-I390 HydrophobicContact CG-CG1 3.85Å; F209-I390 HydrophobicContact CG-CG2 4.28Å; F209-I390 HydrophobicContact CZ-CB 4.05Å; F209-I390 HydrophobicContact CZ-CG2 3.6Å; T236-I390 VanDerWaalsContact CB-CG1 3.48Å; T236-I390 HydrophobicContact CG2-CG1 3.96Å; I390-A394 HydrophobicContact CG2-CB 3.99Å
391	D	98.4	Very high	97.7	Very high	43 Å²	43	38.9 Å²	38.9	23%	0.23	22%	0.218	C	C	.	.	S	Bend	trans	-159	174.2	-178.5	66.4	30.7	0	0	0	112.8	T236 V389 T393 A394 F395	T236-D391 HydrophobicContact CG2-CB 4.14Å; V389-D391 VanDerWaalsContact C-N 3.31Å; V389-D391 PolarHBondContact O-N 3.4Å; V389-D391 VanDerWaalsContact O-N 3.15Å; D391-T393 PolarHBondContact O-N 3.03Å; D391-T393 WeakPolarHBondContact OD1-CA 3.19Å; D391-T393 VanDerWaalsContact OD1-CB 3.28Å; D391-T393 WeakPolarHBondContact OD1-CB 3.39Å; D391-T393 PolarHBondContact OD1-N 2.89Å; D391-A394 PolarHBondContact O-N 2.62Å; D391-A394 PolarHBondContact OD1-N 2.86Å; D391-F395 PolarHBondContact O-N 2.73Å
392	H	98.2	Very high	97.8	Very high	89 Å²	89	35.5 Å²	35.5	41%	0.412	20%	0.2	S	C	.	.	H	α-helix	trans	-59.3	-29.9	176.4	179.2	-113.7	0	0	0	113.6	F395 N396 Y425	H392-F395 PolarHBondContact O-N 3.24Å; H392-N396 PolarHBondContact CD2-ND2 2.93Å; H392-N396 PolarHBondContact CE1-ND2 2.94Å; H392-N396 PolarHBondContact ND1-ND2 3.15Å; H392-N396 PolarHBondContact NE2-ND2 2.79Å; H392-N396 WeakPolarHBondContact O-CB 3.35Å; H392-N396 PolarHBondContact O-N 3.15Å; H392-N396 PolarHBondContact O-ND2 2.86Å; H392-Y425 HydrophobicContact CB-CD1 4.38Å; H392-Y425 HydrophobicContact CB-CE1 3.62Å; H392-Y425 HydrophobicContact CB-CE2 4.48Å
393	T	98.2	Very high	98.2	Very high	102 Å²	102	37 Å²	37	63%	0.626	20%	0.198	S	C	*	.	H	α-helix	trans	-70.9	-45.4	179.3	-55.8	0	0	0	0	110.3	D391 F395 K397	D391-T393 PolarHBondContact O-N 3.03Å; D391-T393 WeakPolarHBondContact OD1-CA 3.19Å; D391-T393 VanDerWaalsContact OD1-CB 3.28Å; D391-T393 WeakPolarHBondContact OD1-CB 3.39Å; D391-T393 PolarHBondContact OD1-N 2.89Å; T393-F395 VanDerWaalsContact C-N 3.35Å; T393-K397 WeakPolarHBondContact O-CB 3.47Å; T393-K397 PolarHBondContact O-N 2.85Å
394	A	98.5	Very high	98.5	Very high	17 Å²	17	35.4 Å²	35.4	14%	0.14	19%	0.186	C	C	.	.	H	α-helix	trans	-61	-45.8	172.1	0	0	0	0	0	110.5	V389 I390 D391 N396 K397 I398	V389-A394 HydrophobicContact CB-CB 4.36Å; V389-A394 HydrophobicContact CG2-CB 4.21Å; I390-A394 HydrophobicContact CG2-CB 3.99Å; D391-A394 PolarHBondContact O-N 2.62Å; D391-A394 PolarHBondContact OD1-N 2.86Å; A394-N396 PolarHBondContact O-N 3.3Å; A394-K397 PolarHBondContact O-N 3.24Å; A394-I398 WeakPolarHBondContact O-CD1 3.26Å; A394-I398 VanDerWaalsContact O-CG1 3.23Å; A394-I398 WeakPolarHBondContact O-CG1 3.49Å; A394-I398 PolarHBondContact O-N 3.46Å
395	F	98.8	Very high	98.5	Very high	7 Å²	7	35 Å²	35	3%	0.031	18%	0.183	C	C	.	.	H	α-helix	trans	-54.1	-52.1	177.2	-177.3	-94.9	0	0	0	112.1	V389 D391 H392 T393 I398 S399 R419 D421 Y425 F426 I427	V389-F395 HydrophobicContact CG2-CB 3.97Å; V389-F395 HydrophobicContact CG2-CD2 4.43Å; D391-F395 PolarHBondContact O-N 2.73Å; H392-F395 PolarHBondContact O-N 3.24Å; T393-F395 VanDerWaalsContact C-N 3.35Å; F395-I398 PolarHBondContact O-N 3.07Å; F395-S399 WeakPolarHBondContact O-CB 3.24Å; F395-S399 PolarHBondContact O-N 3.42Å; F395-S399 PolarHBondContact O-OG 3.34Å; F395-R419 HydrophobicContact CE2-CB 3.92Å; F395-R419 HydrophobicContact CZ-CB 3.84Å; F395-R419 HydrophobicContact CZ-CG 4.4Å; F395-D421 HydrophobicContact CD1-CB 4.15Å; F395-D421 HydrophobicContact CD2-CB 4.41Å; F395-D421 HydrophobicContact CE1-CB 3.69Å; F395-D421 HydrophobicContact CE2-CB 3.96Å; F395-D421 HydrophobicContact CG-CB 4.49Å; F395-D421 HydrophobicContact CZ-CB 3.58Å; F395-Y425 HydrophobicContact CB-CD1 4.02Å; F395-Y425 HydrophobicContact CB-CG 4.27Å; F395-Y425 HydrophobicContact CD2-CD1 4.45Å; F395-Y425 HydrophobicContact CG-CD1 4.18Å; F395-F426 WeakPolarHBondContact CE2-O 3.3Å; F395-I427 HydrophobicContact CD2-CD1 3.97Å; F395-I427 HydrophobicContact CD2-CG1 3.78Å; F395-I427 HydrophobicContact CE2-CD1 4.48Å; F395-I427 HydrophobicContact CE2-CG1 3.95Å
396	N	98.7	Very high	98.4	Very high	75 Å²	75	36.6 Å²	36.6	40%	0.401	20%	0.2	S	C	.	.	H	α-helix	trans	-65.8	-39.6	-179.7	-76.9	-32.2	0	0	0	113.3	H392 A394 S399 G400	H392-N396 PolarHBondContact CD2-ND2 2.93Å; H392-N396 PolarHBondContact CE1-ND2 2.94Å; H392-N396 PolarHBondContact ND1-ND2 3.15Å; H392-N396 PolarHBondContact NE2-ND2 2.79Å; H392-N396 WeakPolarHBondContact O-CB 3.35Å; H392-N396 PolarHBondContact O-N 3.15Å; H392-N396 PolarHBondContact O-ND2 2.86Å; A394-N396 PolarHBondContact O-N 3.3Å; N396-S399 WeakPolarHBondContact O-CB 3.23Å; N396-G400 PolarHBondContact O-N 3.45Å
397	K	98.5	Very high	98.4	Very high	87 Å²	87	40.4 Å²	40.4	38%	0.378	23%	0.227	S	C	.	.	H	α-helix	trans	-59.2	-53.2	176	-180	-167.9	173.6	-159.5	0	110.4	T393 A394 G400 Y401 D445 I446	T393-K397 WeakPolarHBondContact O-CB 3.47Å; T393-K397 PolarHBondContact O-N 2.85Å; A394-K397 PolarHBondContact O-N 3.24Å; K397-G400 PolarHBondContact O-N 2.67Å; K397-Y401 HydrophobicContact CG-CD2 4.37Å; K397-Y401 HydrophobicContact CG-CE2 3.99Å; K397-Y401 VanDerWaalsContact O-CD2 3.23Å; K397-Y401 WeakPolarHBondContact O-CD2 3.26Å; K397-Y401 PolarHBondContact O-N 3.28Å; K397-D445 PolarHBondContact NZ-O 2.87Å; K397-I446 WeakPolarHBondContact CE-O 3.47Å; K397-I446 PolarHBondContact NZ-O 3.34Å
398	I	98.7	Very high	98.3	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-67.1	-44	-176.3	-61.2	160.9	0	0	0	110.2	V389 A394 F395 G400 Y401 L402 I427 I446 I450	V389-I398 HydrophobicContact CB-CD1 4.33Å; V389-I398 HydrophobicContact CG1-CD1 3.8Å; V389-I398 HydrophobicContact CG2-CD1 4.46Å; A394-I398 WeakPolarHBondContact O-CD1 3.26Å; A394-I398 VanDerWaalsContact O-CG1 3.23Å; A394-I398 WeakPolarHBondContact O-CG1 3.49Å; A394-I398 PolarHBondContact O-N 3.46Å; F395-I398 PolarHBondContact O-N 3.07Å; I398-G400 VanDerWaalsContact C-N 3.26Å; I398-G400 PolarHBondContact O-N 3.39Å; I398-Y401 WeakPolarHBondContact O-CB 3.45Å; I398-Y401 PolarHBondContact O-N 3.43Å; I398-L402 HydrophobicContact CG2-CD1 4.47Å; I398-L402 PolarHBondContact O-N 3Å; I398-I427 HydrophobicContact CB-CD1 3.5Å; I398-I427 HydrophobicContact CD1-CD1 3.91Å; I398-I427 HydrophobicContact CG1-CD1 4.32Å; I398-I427 HydrophobicContact CG2-CD1 3.45Å; I398-I427 VanDerWaalsContact CG2-CD1 3.45Å; I398-I427 HydrophobicContact CG2-CG2 4.07Å; I398-I446 HydrophobicContact CG1-CG2 4.06Å; I398-I446 HydrophobicContact CG2-CG2 4.47Å; I398-I450 HydrophobicContact CG2-CD1 3.88Å; I398-I450 HydrophobicContact CG2-CG1 4.27Å
399	S	98.6	Very high	98.3	Very high	2 Å²	2	47 Å²	47	1%	0.014	27%	0.27	C	S	.	.	H	α-helix	trans	-47.1	-45.1	169.1	-84.6	0	0	0	0	113.7	F395 N396 L402 Q403 R419	F395-S399 WeakPolarHBondContact O-CB 3.24Å; F395-S399 PolarHBondContact O-N 3.42Å; F395-S399 PolarHBondContact O-OG 3.34Å; N396-S399 WeakPolarHBondContact O-CB 3.23Å; S399-L402 PolarHBondContact O-N 3.25Å; S399-Q403 WeakPolarHBondContact O-CB 3.47Å; S399-Q403 PolarHBondContact O-N 2.68Å; S399-R419 WeakPolarHBondContact OG-CD 3.22Å; S399-R419 PolarHBondContact OG-NH1 2.76Å; S399-R419 VanDerWaalsContact OG-NH1 3.14Å
400	G	98.6	Very high	98.2	Very high	41 Å²	41	50.3 Å²	50.3	42%	0.423	29%	0.288	S	S	.	.	H	α-helix	trans	-64.8	-37.1	177.4	0	0	0	0	0	113.3	N396 K397 I398 Y404	N396-G400 PolarHBondContact O-N 3.45Å; K397-G400 PolarHBondContact O-N 2.67Å; I398-G400 VanDerWaalsContact C-N 3.26Å; I398-G400 PolarHBondContact O-N 3.39Å; G400-Y404 WeakPolarHBondContact O-CB 3.48Å; G400-Y404 PolarHBondContact O-N 3.16Å
401	Y	98.6	Very high	98.2	Very high	41 Å²	41	51 Å²	51	16%	0.161	29%	0.291	C	S	.	.	H	α-helix	trans	-68.9	-38.5	173.8	-76	-73.4	0	0	0	112.5	K397 I398 Y404 A405 K440 L441 D444 I446	K397-Y401 HydrophobicContact CG-CD2 4.37Å; K397-Y401 HydrophobicContact CG-CE2 3.99Å; K397-Y401 VanDerWaalsContact O-CD2 3.23Å; K397-Y401 WeakPolarHBondContact O-CD2 3.26Å; K397-Y401 PolarHBondContact O-N 3.28Å; I398-Y401 WeakPolarHBondContact O-CB 3.45Å; I398-Y401 PolarHBondContact O-N 3.43Å; Y401-Y404 WeakPolarHBondContact O-CB 3.47Å; Y401-Y404 PolarHBondContact O-N 2.83Å; Y401-A405 WeakPolarHBondContact O-CB 3.34Å; Y401-A405 PolarHBondContact O-N 2.93Å; Y401-K440 HydrophobicContact CE1-CD 4.34Å; Y401-L441 HydrophobicContact CD1-CD2 3.51Å; Y401-L441 HydrophobicContact CE1-CD2 4.43Å; Y401-L441 HydrophobicContact CG-CD2 4.09Å; Y401-D444 HydrophobicContact CE1-CB 4.06Å; Y401-D444 WeakPolarHBondContact CE1-OD2 3.44Å; Y401-D444 WeakPolarHBondContact OH-CB 3.45Å; Y401-D444 PolarHBondContact OH-OD2 3.27Å; Y401-D444 VanDerWaalsContact OH-OD2 3.13Å; Y401-I446 HydrophobicContact CD1-CD1 4.26Å; Y401-I446 HydrophobicContact CD1-CG1 4.21Å; Y401-I446 HydrophobicContact CD2-CB 4.41Å; Y401-I446 HydrophobicContact CD2-CG1 3.95Å; Y401-I446 HydrophobicContact CD2-CG2 3.87Å; Y401-I446 HydrophobicContact CE1-CG1 4.25Å; Y401-I446 HydrophobicContact CE2-CG1 4.03Å; Y401-I446 HydrophobicContact CE2-CG2 4.37Å; Y401-I446 HydrophobicContact CG-CD1 4.17Å; Y401-I446 HydrophobicContact CG-CG1 4.05Å; Y401-I446 HydrophobicContact CG-CG2 4.38Å
402	L	98.6	Very high	98.2	Very high	4 Å²	4	53.4 Å²	53.4	2%	0.021	30%	0.301	C	S	.	.	H	α-helix	trans	-65.2	-44	174.6	-68.1	175.9	0	0	0	111.5	I398 S399 Y404 A405 S406 I427 T430 I450	I398-L402 HydrophobicContact CG2-CD1 4.47Å; I398-L402 PolarHBondContact O-N 3Å; S399-L402 PolarHBondContact O-N 3.25Å; L402-Y404 VanDerWaalsContact C-N 3.29Å; L402-Y404 PolarHBondContact O-N 2.8Å; L402-A405 WeakPolarHBondContact O-CB 3.16Å; L402-A405 PolarHBondContact O-N 3.37Å; L402-S406 PolarHBondContact O-N 3.4Å; L402-S406 PolarHBondContact O-OG 3.05Å; L402-I427 HydrophobicContact CD1-CG2 3.76Å; L402-T430 HydrophobicContact CD2-CG2 3.68Å; L402-I450 HydrophobicContact CD2-CD1 3.52Å; L402-I450 HydrophobicContact CD2-CG1 3.98Å; L402-I450 HydrophobicContact CG-CD1 3.81Å
403	Q	98.4	Very high	98.2	Very high	109 Å²	109	51.8 Å²	51.8	51%	0.509	30%	0.297	S	S	.	.	H	α-helix	trans	-58.8	-42.8	174.5	-174.2	60.6	52	0	0	111.7	S399 S407	S399-Q403 WeakPolarHBondContact O-CB 3.47Å; S399-Q403 PolarHBondContact O-N 2.68Å; Q403-S407 PolarHBondContact O-N 3.23Å; Q403-S407 PolarHBondContact O-OG 2.89Å
404	Y	98.4	Very high	98.2	Very high	62 Å²	62	48.1 Å²	48.1	24%	0.243	28%	0.275	C	S	.	.	H	α-helix	trans	-59.6	-50.5	174.1	167.8	-100.2	0	0	0	111.4	G400 Y401 L402 S406 S407 C408 I411 D439 K440 L441	G400-Y404 WeakPolarHBondContact O-CB 3.48Å; G400-Y404 PolarHBondContact O-N 3.16Å; Y401-Y404 WeakPolarHBondContact O-CB 3.47Å; Y401-Y404 PolarHBondContact O-N 2.83Å; L402-Y404 VanDerWaalsContact C-N 3.29Å; L402-Y404 PolarHBondContact O-N 2.8Å; Y404-S406 VanDerWaalsContact C-N 3.32Å; Y404-S406 PolarHBondContact O-N 3.05Å; Y404-S407 PolarHBondContact O-N 3.35Å; Y404-S407 PolarHBondContact O-OG 3.45Å; Y404-C408 HydrophobicContact CE1-CB 4.41Å; Y404-C408 HydrophobicContact CE2-CB 4.46Å; Y404-C408 WeakPolarHBondContact O-CB 3.45Å; Y404-C408 PolarHBondContact O-N 3.26Å; Y404-I411 HydrophobicContact CD1-CD1 4.35Å; Y404-I411 HydrophobicContact CE1-CD1 3.76Å; Y404-D439 PolarHBondContact OH-OD2 2.91Å; Y404-K440 HydrophobicContact CD1-CD 4.4Å; Y404-K440 HydrophobicContact CD1-CG 4.38Å; Y404-K440 VanDerWaalsContact CD2-CE 3.45Å; Y404-K440 VanDerWaalsContact CD2-NZ 3.27Å; Y404-K440 HydrophobicContact CE1-CD 4.17Å; Y404-K440 HydrophobicContact CE1-CG 3.85Å; Y404-K440 VanDerWaalsContact CG-NZ 3.32Å; Y404-K440 VanDerWaalsContact CZ-CE 3.43Å; Y404-L441 HydrophobicContact CD1-CD1 4.23Å; Y404-L441 HydrophobicContact CD1-CD2 4.42Å; Y404-L441 HydrophobicContact CD1-CG 4.15Å; Y404-L441 HydrophobicContact CE1-CD1 4.37Å; Y404-L441 HydrophobicContact CE1-CG 4.17Å
405	A	98.3	Very high	98.2	Very high	1 Å²	1	48 Å²	48	1%	0.008	27%	0.273	C	S	.	.	H	α-helix	trans	-54.6	-47.2	-179.8	0	0	0	0	0	111.7	Y401 L402 S407 C408 I411 L432 L441	Y401-A405 WeakPolarHBondContact O-CB 3.34Å; Y401-A405 PolarHBondContact O-N 2.93Å; L402-A405 WeakPolarHBondContact O-CB 3.16Å; L402-A405 PolarHBondContact O-N 3.37Å; A405-S407 PolarHBondContact O-N 2.97Å; A405-C408 PolarHBondContact O-N 2.92Å; A405-I411 HydrophobicContact CB-CG2 4.05Å; A405-L432 HydrophobicContact CB-CD1 3.82Å; A405-L432 HydrophobicContact CB-CD2 4.18Å; A405-L441 HydrophobicContact CB-CD1 3.78Å
406	S	97	Very high	98.2	Very high	80 Å²	80	48.6 Å²	48.6	56%	0.559	28%	0.282	S	S	*	.	H	α-helix	trans	-66.8	-19.8	178.8	-57	0	0	0	0	114.5	L402 Y404	L402-S406 PolarHBondContact O-N 3.4Å; L402-S406 PolarHBondContact O-OG 3.05Å; Y404-S406 VanDerWaalsContact C-N 3.32Å; Y404-S406 PolarHBondContact O-N 3.05Å
407	S	97.1	Very high	98.1	Very high	80 Å²	80	45.9 Å²	45.9	56%	0.559	27%	0.271	S	S	*	.	H	α-helix	trans	-98.4	-11.2	179.2	67.6	0	0	0	0	114.1	Q403 Y404 A405	Q403-S407 PolarHBondContact O-N 3.23Å; Q403-S407 PolarHBondContact O-OG 2.89Å; Y404-S407 PolarHBondContact O-N 3.35Å; Y404-S407 PolarHBondContact O-OG 3.45Å; A405-S407 PolarHBondContact O-N 2.97Å
408	C	97.5	Very high	98.1	Very high	17 Å²	17	47.7 Å²	47.7	12%	0.115	28%	0.281	C	S	.	.			trans	-89.7	123.3	-173.3	-173.5	0	0	0	0	110.4	Y404 A405 D410 I411	Y404-C408 HydrophobicContact CE1-CB 4.41Å; Y404-C408 HydrophobicContact CE2-CB 4.46Å; Y404-C408 WeakPolarHBondContact O-CB 3.45Å; Y404-C408 PolarHBondContact O-N 3.26Å; A405-C408 PolarHBondContact O-N 2.92Å; C408-D410 PolarHBondContact O-N 3.09Å; C408-I411 HydrophobicContact CB-CB 4.14Å; C408-I411 HydrophobicContact CB-CD1 3.72Å; C408-I411 HydrophobicContact CB-CG1 4Å; C408-I411 PolarHBondContact O-N 2.94Å; C408-I411 VanDerWaalsContact O-N 3.16Å
409	P	97	Very high	98	Very high	123 Å²	123	52.4 Å²	52.4	80%	0.799	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-22	-179	27.1	-35.2	0	0	0	113.5	I411	P409-I411 VanDerWaalsContact C-N 3.26Å; P409-I411 PolarHBondContact O-N 2.85Å
410	D	97.7	Very high	98	Very high	72 Å²	72	56.3 Å²	56.3	39%	0.385	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	4.3	178.7	-65.5	-32.4	0	0	0	113.1	C408 T434 N435 N436	C408-D410 PolarHBondContact O-N 3.09Å; D410-T434 CarbonylContact O-C 3.54Å; D410-T434 WeakPolarHBondContact O-CA 3.24Å; D410-T434 PolarHBondContact O-OG1 2.87Å; D410-N435 PolarHBondContact O-N 2.58Å; D410-N436 HydrophobicContact CB-CB 4.32Å
411	I	98.5	Very high	98	Very high	18 Å²	18	57.6 Å²	57.6	9%	0.092	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	123.5	-173.7	-60.7	173.8	0	0	0	111	Y404 A405 C408 P409 L432 I433 L441	Y404-I411 HydrophobicContact CD1-CD1 4.35Å; Y404-I411 HydrophobicContact CE1-CD1 3.76Å; A405-I411 HydrophobicContact CB-CG2 4.05Å; C408-I411 HydrophobicContact CB-CB 4.14Å; C408-I411 HydrophobicContact CB-CD1 3.72Å; C408-I411 HydrophobicContact CB-CG1 4Å; C408-I411 PolarHBondContact O-N 2.94Å; C408-I411 VanDerWaalsContact O-N 3.16Å; P409-I411 VanDerWaalsContact C-N 3.26Å; P409-I411 PolarHBondContact O-N 2.85Å; I411-L432 HydrophobicContact CG2-CB 4.18Å; I411-L432 HydrophobicContact CG2-CD1 4.32Å; I411-L432 HydrophobicContact CG2-CD2 4.21Å; I411-L432 HydrophobicContact CG2-CG 4.48Å; I411-I433 CarbonylContact C-O 3.52Å; I411-I433 VanDerWaalsContact CA-O 3.3Å; I411-I433 WeakPolarHBondContact CA-O 3.29Å; I411-L441 HydrophobicContact CD1-CD1 3.56Å; I411-L441 HydrophobicContact CD1-CG 4.36Å
412	E	98.3	Very high	97.9	Very high	93 Å²	93	59.5 Å²	59.5	44%	0.435	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	131.4	167.9	179.6	-170.3	148.4	0	0	109.4	K364 V414 L432 I433	K364-E412 IonicContact NZ-OE1 3.18Å; K364-E412 PolarHBondContact NZ-OE1 3.09Å; E412-V414 HydrophobicContact CG-CG2 4.39Å; E412-V414 PolarHBondContact O-N 2.73Å; E412-L432 CarbonylContact O-C 3.59Å; E412-L432 VanDerWaalsContact O-CA 3.27Å; E412-L432 WeakPolarHBondContact O-CA 3.34Å; E412-I433 HydrophobicContact CB-CB 4.3Å; E412-I433 PolarHBondContact N-O 3.19Å; E412-I433 PolarHBondContact O-N 3.33Å
413	V	98.4	Very high	97.9	Very high	56 Å²	56	63.3 Å²	63.3	34%	0.339	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	107.1	166.4	-176	0	0	0	0	108.4	T430 L432	V413-T430 HydrophobicContact CG1-CG2 4.39Å; V413-L432 HydrophobicContact CB-CD2 4.17Å; V413-L432 HydrophobicContact CG1-CD2 4.22Å; V413-L432 HydrophobicContact CG2-CD2 3.79Å
414	V	98.4	Very high	97.9	Very high	25 Å²	25	58.1 Å²	58.1	15%	0.152	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	-41.1	-179.4	173.7	0	0	0	0	111.5	W360 K364 L368 E412 I431 I433	W360-V414 HydrophobicContact CZ2-CG2 4.25Å; K364-V414 HydrophobicContact CD-CG1 4.31Å; K364-V414 HydrophobicContact CG-CG1 4.34Å; L368-V414 HydrophobicContact CD2-CG1 4.16Å; E412-V414 HydrophobicContact CG-CG2 4.39Å; E412-V414 PolarHBondContact O-N 2.73Å; V414-I431 HydrophobicContact CB-CB 4.26Å; V414-I431 HydrophobicContact CB-CG2 4.07Å; V414-I431 WeakPolarHBondContact CB-O 3.27Å; V414-I431 HydrophobicContact CG1-CG2 4.35Å; V414-I431 PolarHBondContact N-O 3.43Å; V414-I433 HydrophobicContact CG2-CD1 3.55Å; V414-I433 HydrophobicContact CG2-CG1 3.57Å
415	A	98.4	Very high	98	Very high	13 Å²	13	56.3 Å²	56.3	11%	0.107	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	152.9	178.6	0	0	0	0	0	110.4	L368 Y371 T430 I431	L368-A415 HydrophobicContact CD2-CB 3.8Å; Y371-A415 HydrophobicContact CD1-CB 4.12Å; Y371-A415 HydrophobicContact CD2-CB 4.16Å; Y371-A415 HydrophobicContact CE1-CB 3.85Å; Y371-A415 HydrophobicContact CE2-CB 3.84Å; Y371-A415 HydrophobicContact CG-CB 4.3Å; A415-T430 WeakPolarHBondContact O-CA 3.27Å; A415-T430 WeakPolarHBondContact O-CG2 3.43Å; A415-I431 HydrophobicContact CB-CB 4.48Å; A415-I431 PolarHBondContact N-O 3.26Å; A415-I431 PolarHBondContact O-N 2.97Å
416	G	98.1	Very high	98	Very high	20 Å²	20	58.1 Å²	58.1	21%	0.206	34%	0.336	C	S	.	.			trans	86.1	-138	175.8	0	0	0	0	0	113.9	Y371 Q418 P429	Y371-G416 WeakPolarHBondContact OH-CA 3.29Å; Y371-G416 PolarHBondContact OH-N 3.01Å; G416-Q418 VanDerWaalsContact C-N 3.32Å; G416-Q418 PolarHBondContact O-N 2.85Å; G416-P429 WeakPolarHBondContact CA-O 3.26Å
417	G	96.8	Very high	98.1	Very high	18 Å²	18	54.3 Å²	54.3	19%	0.186	31%	0.309	C	S	.	.			trans	87.3	-11.7	179.1	0	0	0	0	0	115.3	T430	G417-T430 PolarHBondContact N-OG1 2.75Å
418	Q	97.7	Very high	98.1	Very high	125 Å²	125	53.9 Å²	53.9	58%	0.584	30%	0.298	S	S	*	.			trans	-81.5	152.7	176.7	-54.2	-59.4	-42.9	0	0	112.3	G416 Q428	G416-Q418 VanDerWaalsContact C-N 3.32Å; G416-Q418 PolarHBondContact O-N 2.85Å; Q418-Q428 HydrophobicContact CB-CG 4.02Å; Q418-Q428 PolarHBondContact O-N 3.49Å
419	R	97.8	Very high	98.2	Very high	101 Å²	101	53.1 Å²	53.1	38%	0.381	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	141.5	-179.2	47.5	173.3	156.6	146.7	-4.4	109.7	F395 S399 F426 I427	F395-R419 HydrophobicContact CE2-CB 3.92Å; F395-R419 HydrophobicContact CZ-CB 3.84Å; F395-R419 HydrophobicContact CZ-CG 4.4Å; S399-R419 WeakPolarHBondContact OG-CD 3.22Å; S399-R419 PolarHBondContact OG-NH1 2.76Å; S399-R419 VanDerWaalsContact OG-NH1 3.14Å; R419-F426 WeakPolarHBondContact CA-O 3.5Å; R419-I427 HydrophobicContact CB-CG1 4.48Å
420	D	98.3	Very high	98.3	Very high	83 Å²	83	47.3 Å²	47.3	44%	0.444	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	122.4	-179.2	-176.7	-2.6	0	0	0	108.3	S422 F426	D420-S422 WeakPolarHBondContact OD1-CB 3.49Å; D420-S422 PolarHBondContact OD1-N 2.91Å; D420-S422 PolarHBondContact OD1-OG 3.45Å; D420-S422 PolarHBondContact OD2-OG 3.39Å; D420-F426 PolarHBondContact N-O 2.65Å; D420-F426 PolarHBondContact O-N 3.24Å
421	D	98.2	Very high	98.3	Very high	68 Å²	68	43.9 Å²	43.9	36%	0.364	24%	0.237	S	C	.	.			trans	-114.1	13.8	174.5	63.4	-10.2	0	0	0	113	H86 F395 V423 G424 Y425	H86-D421 PolarHBondContact NE2-O 2.93Å; F395-D421 HydrophobicContact CD1-CB 4.15Å; F395-D421 HydrophobicContact CD2-CB 4.41Å; F395-D421 HydrophobicContact CE1-CB 3.69Å; F395-D421 HydrophobicContact CE2-CB 3.96Å; F395-D421 HydrophobicContact CG-CB 4.49Å; F395-D421 HydrophobicContact CZ-CB 3.58Å; D421-V423 PolarHBondContact O-N 3.39Å; D421-G424 VanDerWaalsContact CA-O 3.29Å; D421-G424 WeakPolarHBondContact CA-O 3.26Å; D421-Y425 HydrophobicContact CB-CD1 4.05Å
422	S	98.1	Very high	98.3	Very high	81 Å²	81	43 Å²	43	57%	0.566	23%	0.233	S	C	*	.	S	Bend	trans	-64.4	-39.1	-176.4	62.6	0	0	0	0	113.2	D420	D420-S422 WeakPolarHBondContact OD1-CB 3.49Å; D420-S422 PolarHBondContact OD1-N 2.91Å; D420-S422 PolarHBondContact OD1-OG 3.45Å; D420-S422 PolarHBondContact OD2-OG 3.39Å
423	V	98.3	Very high	98.3	Very high	84 Å²	84	39 Å²	39	51%	0.509	21%	0.214	S	C	.	.	S	Bend	trans	-116.6	-42.6	179.9	177.8	0	0	0	0	112.4	E85 H86 D421	E85-V423 CarbonylContact C-O 3.02Å; E85-V423 WeakPolarHBondContact CA-O 3.41Å; E85-V423 HydrophobicContact CG-CG1 4.31Å; H86-V423 PolarHBondContact CD2-O 3.38Å; H86-V423 PolarHBondContact N-O 3.01Å; H86-V423 PolarHBondContact NE2-O 3.24Å; D421-V423 PolarHBondContact O-N 3.39Å
424	G	98.5	Very high	98.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	-146.1	163.7	-178.4	0	0	0	0	0	108.7	P83 D421 F426	P83-G424 CarbonylContact O-C 3.56Å; P83-G424 VanDerWaalsContact O-CA 3.26Å; P83-G424 WeakPolarHBondContact O-CA 3.3Å; D421-G424 VanDerWaalsContact CA-O 3.29Å; D421-G424 WeakPolarHBondContact CA-O 3.26Å; G424-F426 VanDerWaalsContact C-N 3.31Å; G424-F426 VanDerWaalsContact O-CD2 3.24Å; G424-F426 WeakPolarHBondContact O-CD2 3.39Å; G424-F426 PolarHBondContact O-N 2.65Å
425	Y	98.7	Very high	98.3	Very high	25 Å²	25	41.1 Å²	41.1	10%	0.098	22%	0.222	C	C	.	.			trans	-81.9	70.4	-177.3	-56.5	-61.9	0	0	0	112.2	I81 P83 H86 A388 V389 H392 F395 D421	I81-Y425 HydrophobicContact CD1-CE2 3.64Å; P83-Y425 PolarHBondContact O-N 2.73Å; H86-Y425 HydrophobicContact CB-CE2 3.82Å; A388-Y425 CarbonylContact C-O 3.58Å; A388-Y425 VanDerWaalsContact CA-O 3.23Å; A388-Y425 WeakPolarHBondContact CA-O 3.3Å; A388-Y425 WeakPolarHBondContact CB-O 3.2Å; V389-Y425 WeakPolarHBondContact CG2-O 3.27Å; V389-Y425 PolarHBondContact N-O 2.84Å; H392-Y425 HydrophobicContact CB-CD1 4.38Å; H392-Y425 HydrophobicContact CB-CE1 3.62Å; H392-Y425 HydrophobicContact CB-CE2 4.48Å; F395-Y425 HydrophobicContact CB-CD1 4.02Å; F395-Y425 HydrophobicContact CB-CG 4.27Å; F395-Y425 HydrophobicContact CD2-CD1 4.45Å; F395-Y425 HydrophobicContact CG-CD1 4.18Å; D421-Y425 HydrophobicContact CB-CD1 4.05Å
426	F	98.7	Very high	98.3	Very high	38 Å²	38	42.9 Å²	42.9	17%	0.167	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	131.2	-174.3	-62.6	-76.3	0	0	0	112.6	F84 I376 A388 F395 R419 D420 G424	F84-F426 HydrophobicContact CB-CE1 4.14Å; F84-F426 HydrophobicContact CB-CZ 3.75Å; I376-F426 HydrophobicContact CG2-CD1 4.03Å; A388-F426 HydrophobicContact CB-CD1 3.98Å; A388-F426 HydrophobicContact CB-CE1 3.93Å; A388-F426 HydrophobicContact CB-CG 4.45Å; A388-F426 HydrophobicContact CB-CZ 4.37Å; F395-F426 WeakPolarHBondContact CE2-O 3.3Å; R419-F426 WeakPolarHBondContact CA-O 3.5Å; D420-F426 PolarHBondContact N-O 2.65Å; D420-F426 PolarHBondContact O-N 3.24Å; G424-F426 VanDerWaalsContact C-N 3.31Å; G424-F426 VanDerWaalsContact O-CD2 3.24Å; G424-F426 WeakPolarHBondContact O-CD2 3.39Å; G424-F426 PolarHBondContact O-N 2.65Å
427	I	98.8	Very high	98.2	Very high	1 Å²	1	43 Å²	43	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	127.7	174.3	-59.3	-174.3	0	0	0	108	V389 F395 I398 L402 R419 P449	V389-I427 HydrophobicContact CG1-CD1 4.18Å; V389-I427 HydrophobicContact CG1-CG1 4.42Å; V389-I427 HydrophobicContact CG2-CD1 4.14Å; V389-I427 HydrophobicContact CG2-CG1 4.49Å; F395-I427 HydrophobicContact CD2-CD1 3.97Å; F395-I427 HydrophobicContact CD2-CG1 3.78Å; F395-I427 HydrophobicContact CE2-CD1 4.48Å; F395-I427 HydrophobicContact CE2-CG1 3.95Å; I398-I427 HydrophobicContact CB-CD1 3.5Å; I398-I427 HydrophobicContact CD1-CD1 3.91Å; I398-I427 HydrophobicContact CG1-CD1 4.32Å; I398-I427 HydrophobicContact CG2-CD1 3.45Å; I398-I427 VanDerWaalsContact CG2-CD1 3.45Å; I398-I427 HydrophobicContact CG2-CG2 4.07Å; L402-I427 HydrophobicContact CD1-CG2 3.76Å; R419-I427 HydrophobicContact CB-CG1 4.48Å; I427-P449 HydrophobicContact CB-CG 4.13Å; I427-P449 HydrophobicContact CG2-CG 3.85Å
428	Q	98.3	Very high	98.2	Very high	71 Å²	71	45.3 Å²	45.3	33%	0.332	24%	0.238	S	C	.	.			trans	-67	134.3	175.1	-75.1	-171.6	-6.9	0	0	110.3	Q418 T430	Q418-Q428 HydrophobicContact CB-CG 4.02Å; Q418-Q428 PolarHBondContact O-N 3.49Å; Q428-T430 PolarHBondContact O-N 2.76Å; Q428-T430 PolarHBondContact O-OG1 3.08Å
429	P	98.7	Very high	98.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.212	C	C	.	.			trans	-39.4	124.5	158.1	-32.9	39.6	0	0	0	110.7	F340 Y371 L374 I376 T386 G416	F340-P429 HydrophobicContact CB-CB 4.19Å; F340-P429 HydrophobicContact CB-CG 4.16Å; F340-P429 HydrophobicContact CD1-CB 3.65Å; F340-P429 HydrophobicContact CD1-CG 4.34Å; F340-P429 HydrophobicContact CD2-CB 3.81Å; F340-P429 HydrophobicContact CE1-CB 3.88Å; F340-P429 HydrophobicContact CE2-CB 4.01Å; F340-P429 HydrophobicContact CG-CB 3.62Å; F340-P429 HydrophobicContact CG-CG 4.14Å; F340-P429 HydrophobicContact CZ-CB 4.04Å; Y371-P429 HydrophobicContact CD2-CB 4.49Å; Y371-P429 HydrophobicContact CE2-CB 3.88Å; Y371-P429 VanDerWaalsContact CE2-O 3.25Å; Y371-P429 WeakPolarHBondContact CE2-O 3.07Å; Y371-P429 PolarHBondContact OH-O 3.21Å; Y371-P429 VanDerWaalsContact OH-O 3.1Å; L374-P429 HydrophobicContact CD1-CB 4.24Å; L374-P429 HydrophobicContact CD1-CG 4.21Å; I376-P429 HydrophobicContact CD1-CG 4.33Å; I376-P429 HydrophobicContact CG1-CG 4.25Å; T386-P429 HydrophobicContact CG2-CG 4.35Å; G416-P429 WeakPolarHBondContact CA-O 3.26Å
430	T	98.9	Very high	98.1	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	125.1	-174.4	-58.7	0	0	0	0	109.7	L402 V413 A415 G417 Q428 L432 P449 I450 L451	L402-T430 HydrophobicContact CD2-CG2 3.68Å; V413-T430 HydrophobicContact CG1-CG2 4.39Å; A415-T430 WeakPolarHBondContact O-CA 3.27Å; A415-T430 WeakPolarHBondContact O-CG2 3.43Å; G417-T430 PolarHBondContact N-OG1 2.75Å; Q428-T430 PolarHBondContact O-N 2.76Å; Q428-T430 PolarHBondContact O-OG1 3.08Å; T430-L432 HydrophobicContact CG2-CD2 3.59Å; T430-L432 HydrophobicContact CG2-CG 4.02Å; T430-P449 PolarHBondContact N-O 3.5Å; T430-I450 WeakPolarHBondContact O-CA 3.44Å; T430-L451 PolarHBondContact O-N 3.45Å
431	I	98.8	Very high	98.1	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	125.1	175.3	-57.9	172.3	0	0	0	107.5	I336 F340 Y371 V414 A415	I336-I431 HydrophobicContact CD1-CD1 4.11Å; F340-I431 HydrophobicContact CE2-CD1 4.24Å; F340-I431 HydrophobicContact CE2-CG1 3.94Å; F340-I431 HydrophobicContact CZ-CD1 4.47Å; F340-I431 HydrophobicContact CZ-CG1 3.68Å; Y371-I431 HydrophobicContact CD2-CD1 3.98Å; V414-I431 HydrophobicContact CB-CB 4.26Å; V414-I431 HydrophobicContact CB-CG2 4.07Å; V414-I431 WeakPolarHBondContact CB-O 3.27Å; V414-I431 HydrophobicContact CG1-CG2 4.35Å; V414-I431 PolarHBondContact N-O 3.43Å; A415-I431 HydrophobicContact CB-CB 4.48Å; A415-I431 PolarHBondContact N-O 3.26Å; A415-I431 PolarHBondContact O-N 2.97Å
432	L	98.8	Very high	98.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	150.5	-179.8	-54	176.4	0	0	0	110	A405 I411 E412 V413 T430 L441 I450 L451 T453	A405-L432 HydrophobicContact CB-CD1 3.82Å; A405-L432 HydrophobicContact CB-CD2 4.18Å; I411-L432 HydrophobicContact CG2-CB 4.18Å; I411-L432 HydrophobicContact CG2-CD1 4.32Å; I411-L432 HydrophobicContact CG2-CD2 4.21Å; I411-L432 HydrophobicContact CG2-CG 4.48Å; E412-L432 CarbonylContact O-C 3.59Å; E412-L432 VanDerWaalsContact O-CA 3.27Å; E412-L432 WeakPolarHBondContact O-CA 3.34Å; V413-L432 HydrophobicContact CB-CD2 4.17Å; V413-L432 HydrophobicContact CG1-CD2 4.22Å; V413-L432 HydrophobicContact CG2-CD2 3.79Å; T430-L432 HydrophobicContact CG2-CD2 3.59Å; T430-L432 HydrophobicContact CG2-CG 4.02Å; L432-L441 HydrophobicContact CD1-CD1 3.4Å; L432-L441 VanDerWaalsContact CD1-CD1 3.4Å; L432-I450 HydrophobicContact CD1-CG2 3.69Å; L432-I450 HydrophobicContact CG-CG2 4.33Å; L432-L451 PolarHBondContact N-O 3.17Å; L432-T453 WeakPolarHBondContact O-CA 3.34Å; L432-T453 WeakPolarHBondContact O-CB 3.32Å; L432-T453 PolarHBondContact O-N 2.93Å; L432-T453 PolarHBondContact O-OG1 2.83Å
433	I	98.6	Very high	98.1	Very high	8 Å²	8	31.4 Å²	31.4	4%	0.041	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	137.9	161	-60.1	165.8	0	0	0	107.6	W360 I411 E412 V414 T453 L455	W360-I433 HydrophobicContact CH2-CD1 4.41Å; W360-I433 HydrophobicContact CH2-CG1 4.38Å; W360-I433 HydrophobicContact CZ2-CD1 3.42Å; W360-I433 VanDerWaalsContact CZ2-CD1 3.42Å; W360-I433 HydrophobicContact CZ2-CG1 3.82Å; I411-I433 CarbonylContact C-O 3.52Å; I411-I433 VanDerWaalsContact CA-O 3.3Å; I411-I433 WeakPolarHBondContact CA-O 3.29Å; E412-I433 HydrophobicContact CB-CB 4.3Å; E412-I433 PolarHBondContact N-O 3.19Å; E412-I433 PolarHBondContact O-N 3.33Å; V414-I433 HydrophobicContact CG2-CD1 3.55Å; V414-I433 HydrophobicContact CG2-CG1 3.57Å; I433-T453 CarbonylContact C-O 3.53Å; I433-T453 VanDerWaalsContact CA-O 3.3Å; I433-T453 WeakPolarHBondContact CA-O 3.42Å; I433-L455 HydrophobicContact CD1-CD1 4.5Å; I433-L455 HydrophobicContact CG2-CD1 4.34Å; I433-L455 HydrophobicContact CG2-CG 4.16Å
434	T	98.5	Very high	98	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.006	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	142.6	169.6	-171.4	0	0	0	0	112.2	D410 N436 M442 T453 Y454	D410-T434 CarbonylContact O-C 3.54Å; D410-T434 WeakPolarHBondContact O-CA 3.24Å; D410-T434 PolarHBondContact O-OG1 2.87Å; T434-N436 VanDerWaalsContact C-N 3.35Å; T434-N436 WeakPolarHBondContact CG2-O 3.19Å; T434-N436 PolarHBondContact OG1-N 3.06Å; T434-N436 VanDerWaalsContact OG1-N 3.09Å; T434-N436 PolarHBondContact OG1-O 3.01Å; T434-M442 HydrophobicContact CG2-CG 3.98Å; T434-M442 HydrophobicContact CG2-SD 4.47Å; T434-T453 PolarHBondContact N-O 3.26Å; T434-Y454 WeakPolarHBondContact O-CD2 3.48Å
435	N	97.8	Very high	97.9	Very high	124 Å²	124	31.6 Å²	31.6	66%	0.663	16%	0.159	S	C	*	.	S	Bend	trans	-86.4	-9	168	-66.1	-35.8	0	0	0	112.5	D410	D410-N435 PolarHBondContact O-N 2.58Å
436	N	97.7	Very high	97.8	Very high	50 Å²	50	30.7 Å²	30.7	27%	0.267	16%	0.156	S	C	.	.			trans	-110.3	97.9	175.9	178.3	1.8	0	0	0	109.5	D410 T434 T438 D439	D410-N436 HydrophobicContact CB-CB 4.32Å; T434-N436 VanDerWaalsContact C-N 3.35Å; T434-N436 WeakPolarHBondContact CG2-O 3.19Å; T434-N436 PolarHBondContact OG1-N 3.06Å; T434-N436 VanDerWaalsContact OG1-N 3.09Å; T434-N436 PolarHBondContact OG1-O 3.01Å; N436-T438 PolarHBondContact O-N 2.96Å; N436-T438 PolarHBondContact OD1-N 2.67Å; N436-T438 PolarHBondContact OD1-OG1 3.22Å; N436-D439 HydrophobicContact CB-CB 4.27Å; N436-D439 VanDerWaalsContact O-CB 3.28Å; N436-D439 WeakPolarHBondContact O-CB 3.48Å; N436-D439 PolarHBondContact O-N 2.71Å; N436-D439 PolarHBondContact OD1-N 3.16Å
437	P	96.3	Very high	97.8	Very high	23 Å²	23	30.9 Å²	30.9	15%	0.149	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-9.6	-176.3	27.9	-33.8	0	0	0	113.5	M442 Y454 L467	P437-M442 WeakPolarHBondContact O-CB 3.26Å; P437-Y454 HydrophobicContact CB-CD1 4.13Å; P437-Y454 HydrophobicContact CB-CD2 3.61Å; P437-Y454 HydrophobicContact CB-CE1 4.18Å; P437-Y454 HydrophobicContact CB-CE2 3.68Å; P437-Y454 HydrophobicContact CB-CG 3.83Å; P437-Y454 HydrophobicContact CG-CD2 4.17Å; P437-Y454 HydrophobicContact CG-CE1 4.46Å; P437-Y454 HydrophobicContact CG-CE2 3.71Å; P437-L467 HydrophobicContact CB-CD1 3.77Å; P437-L467 HydrophobicContact CB-CD2 3.39Å; P437-L467 HydrophobicContact CB-CG 4.08Å; P437-L467 HydrophobicContact CG-CD1 4.02Å; P437-L467 HydrophobicContact CG-CD2 3.94Å
438	T	96	Very high	97.8	Very high	66 Å²	66	31.2 Å²	31.2	41%	0.405	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	10.7	177.9	73	0	0	0	0	113	N436 K443 L467	N436-T438 PolarHBondContact O-N 2.96Å; N436-T438 PolarHBondContact OD1-N 2.67Å; N436-T438 PolarHBondContact OD1-OG1 3.22Å; T438-K443 WeakPolarHBondContact O-CD 3.28Å; T438-K443 WeakPolarHBondContact O-CE 3.37Å; T438-K443 PolarHBondContact O-NZ 3.34Å; T438-L467 HydrophobicContact CG2-CD1 4.48Å
439	D	97.7	Very high	97.8	Very high	7 Å²	7	27.8 Å²	27.8	4%	0.037	15%	0.145	C	C	.	.	S	Bend	trans	-57.6	152.6	174.5	-176.5	-93.8	0	0	0	111.6	Y404 N436 L441 M442 K443	Y404-D439 PolarHBondContact OH-OD2 2.91Å; N436-D439 HydrophobicContact CB-CB 4.27Å; N436-D439 VanDerWaalsContact O-CB 3.28Å; N436-D439 WeakPolarHBondContact O-CB 3.48Å; N436-D439 PolarHBondContact O-N 2.71Å; N436-D439 PolarHBondContact OD1-N 3.16Å; D439-L441 PolarHBondContact O-N 3.17Å; D439-L441 WeakPolarHBondContact OD1-CB 3.45Å; D439-L441 WeakPolarHBondContact OD1-CG 3.43Å; D439-L441 PolarHBondContact OD1-N 3.38Å; D439-M442 WeakPolarHBondContact O-CA 3.18Å; D439-M442 WeakPolarHBondContact O-CB 3.44Å; D439-M442 PolarHBondContact O-N 3.17Å; D439-K443 PolarHBondContact O-N 2.69Å
440	K	97	Very high	97.8	Very high	79 Å²	79	28 Å²	28	34%	0.343	15%	0.146	S	C	.	.	H	α-helix	trans	-59.7	-27.9	179.7	70.7	175.8	178.9	-175.5	0	113.4	Y401 Y404 M442 K443 D444	Y401-K440 HydrophobicContact CE1-CD 4.34Å; Y404-K440 HydrophobicContact CD1-CD 4.4Å; Y404-K440 HydrophobicContact CD1-CG 4.38Å; Y404-K440 VanDerWaalsContact CD2-CE 3.45Å; Y404-K440 VanDerWaalsContact CD2-NZ 3.27Å; Y404-K440 HydrophobicContact CE1-CD 4.17Å; Y404-K440 HydrophobicContact CE1-CG 3.85Å; Y404-K440 VanDerWaalsContact CG-NZ 3.32Å; Y404-K440 VanDerWaalsContact CZ-CE 3.43Å; K440-M442 PolarHBondContact O-N 3.17Å; K440-K443 PolarHBondContact O-N 2.97Å; K440-D444 WeakPolarHBondContact O-CB 3.36Å; K440-D444 PolarHBondContact O-N 3.46Å
441	L	98	Very high	97.8	Very high	1 Å²	1	28 Å²	28	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-67.8	-20.1	173.6	-63.5	-177.1	0	0	0	113.1	K317 Y401 Y404 A405 I411 L432 D439 I446 C452	K317-L441 WeakPolarHBondContact CE-O 3.31Å; K317-L441 PolarHBondContact NZ-O 2.76Å; Y401-L441 HydrophobicContact CD1-CD2 3.51Å; Y401-L441 HydrophobicContact CE1-CD2 4.43Å; Y401-L441 HydrophobicContact CG-CD2 4.09Å; Y404-L441 HydrophobicContact CD1-CD1 4.23Å; Y404-L441 HydrophobicContact CD1-CD2 4.42Å; Y404-L441 HydrophobicContact CD1-CG 4.15Å; Y404-L441 HydrophobicContact CE1-CD1 4.37Å; Y404-L441 HydrophobicContact CE1-CG 4.17Å; A405-L441 HydrophobicContact CB-CD1 3.78Å; I411-L441 HydrophobicContact CD1-CD1 3.56Å; I411-L441 HydrophobicContact CD1-CG 4.36Å; L432-L441 HydrophobicContact CD1-CD1 3.4Å; L432-L441 VanDerWaalsContact CD1-CD1 3.4Å; D439-L441 PolarHBondContact O-N 3.17Å; D439-L441 WeakPolarHBondContact OD1-CB 3.45Å; D439-L441 WeakPolarHBondContact OD1-CG 3.43Å; D439-L441 PolarHBondContact OD1-N 3.38Å; L441-I446 HydrophobicContact CD2-CD1 3.7Å; L441-C452 HydrophobicContact CB-CB 4.19Å
442	M	98.2	Very high	97.8	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-86.8	-15.5	169.5	-66.2	-66.8	-79	0	0	112.5	K317 R352 Y354 T434 P437 D439 K440 C452 T471	K317-M442 VanDerWaalsContact CE-C 3.42Å; K317-M442 VanDerWaalsContact CE-O 3.29Å; K317-M442 WeakPolarHBondContact CE-O 3.34Å; K317-M442 VanDerWaalsContact CG-O 3.3Å; K317-M442 WeakPolarHBondContact CG-O 3.44Å; R352-M442 HydrophobicContact CB-CE 4.04Å; R352-M442 HydrophobicContact CB-SD 4.32Å; R352-M442 VanDerWaalsContact CD-O 3.26Å; R352-M442 WeakPolarHBondContact CD-O 3.25Å; R352-M442 HydrophobicContact CG-CE 3.98Å; R352-M442 HydrophobicContact CG-SD 3.98Å; Y354-M442 HydrophobicContact CE1-CE 3.78Å; Y354-M442 HydrophobicContact CE2-CE 4.33Å; T434-M442 HydrophobicContact CG2-CG 3.98Å; T434-M442 HydrophobicContact CG2-SD 4.47Å; P437-M442 WeakPolarHBondContact O-CB 3.26Å; D439-M442 WeakPolarHBondContact O-CA 3.18Å; D439-M442 WeakPolarHBondContact O-CB 3.44Å; D439-M442 PolarHBondContact O-N 3.17Å; K440-M442 PolarHBondContact O-N 3.17Å; M442-C452 HydrophobicContact CG-CB 4.4Å; M442-C452 HydrophobicContact SD-CB 3.62Å; M442-T471 HydrophobicContact CB-CG2 3.82Å
443	K	97.5	Very high	97.8	Very high	80 Å²	80	28 Å²	28	35%	0.348	15%	0.146	S	C	.	.	H	α-helix	trans	-108.4	-44.9	-173.5	-60.7	-173	168.9	154.9	0	114.4	T438 D439 K440 T471 T472	T438-K443 WeakPolarHBondContact O-CD 3.28Å; T438-K443 WeakPolarHBondContact O-CE 3.37Å; T438-K443 PolarHBondContact O-NZ 3.34Å; D439-K443 PolarHBondContact O-N 2.69Å; K440-K443 PolarHBondContact O-N 2.97Å; K443-T471 WeakPolarHBondContact CE-O 3.16Å; K443-T471 HydrophobicContact CG-CG2 4.23Å; K443-T471 VanDerWaalsContact CG-O 3.32Å; K443-T471 WeakPolarHBondContact CG-O 3.33Å; K443-T472 PolarHBondContact O-OG1 3.45Å
444	D	97	Very high	97.8	Very high	58 Å²	58	29.7 Å²	29.7	31%	0.31	15%	0.152	S	C	.	.	S	Bend	trans	-76.6	136.2	-168.6	-67.7	-14.3	0	0	0	111.2	K317 Y401 K440 I446	K317-D444 WeakPolarHBondContact CD-O 3.32Å; K317-D444 WeakPolarHBondContact CE-O 3.41Å; K317-D444 PolarHBondContact NZ-O 3.09Å; Y401-D444 HydrophobicContact CE1-CB 4.06Å; Y401-D444 WeakPolarHBondContact CE1-OD2 3.44Å; Y401-D444 WeakPolarHBondContact OH-CB 3.45Å; Y401-D444 PolarHBondContact OH-OD2 3.27Å; Y401-D444 VanDerWaalsContact OH-OD2 3.13Å; K440-D444 WeakPolarHBondContact O-CB 3.36Å; K440-D444 PolarHBondContact O-N 3.46Å; D444-I446 PolarHBondContact O-N 2.85Å
445	D	95.7	Very high	97.8	Very high	30 Å²	30	31.8 Å²	31.8	16%	0.16	16%	0.162	C	C	.	.			trans	-73.3	92.8	168.1	177.2	16.7	0	0	0	109.6	G315 K397 F447 Y474	G315-D445 WeakPolarHBondContact CA-OD2 3.31Å; K397-D445 PolarHBondContact NZ-O 2.87Å; D445-F447 PolarHBondContact OD1-N 2.88Å; D445-Y474 HydrophobicContact CB-CE2 4.01Å
446	I	97.4	Very high	97.8	Very high	6 Å²	6	26 Å²	26	3%	0.031	13%	0.131	C	C	.	.			trans	-75.7	-37.5	-177.7	-61.4	168.9	0	0	0	110.6	K397 I398 Y401 L441 D444 I450	K397-I446 WeakPolarHBondContact CE-O 3.47Å; K397-I446 PolarHBondContact NZ-O 3.34Å; I398-I446 HydrophobicContact CG1-CG2 4.06Å; I398-I446 HydrophobicContact CG2-CG2 4.47Å; Y401-I446 HydrophobicContact CD1-CD1 4.26Å; Y401-I446 HydrophobicContact CD1-CG1 4.21Å; Y401-I446 HydrophobicContact CD2-CB 4.41Å; Y401-I446 HydrophobicContact CD2-CG1 3.95Å; Y401-I446 HydrophobicContact CD2-CG2 3.87Å; Y401-I446 HydrophobicContact CE1-CG1 4.25Å; Y401-I446 HydrophobicContact CE2-CG1 4.03Å; Y401-I446 HydrophobicContact CE2-CG2 4.37Å; Y401-I446 HydrophobicContact CG-CD1 4.17Å; Y401-I446 HydrophobicContact CG-CG1 4.05Å; Y401-I446 HydrophobicContact CG-CG2 4.38Å; L441-I446 HydrophobicContact CD2-CD1 3.7Å; D444-I446 PolarHBondContact O-N 2.85Å; I446-I450 HydrophobicContact CD1-CB 4.38Å; I446-I450 HydrophobicContact CD1-CD1 4.34Å; I446-I450 HydrophobicContact CD1-CG2 4.4Å; I446-I450 HydrophobicContact CG2-CD1 4.14Å
447	F	97.5	Very high	97.8	Very high	42 Å²	42	30.1 Å²	30.1	18%	0.184	14%	0.143	C	C	.	.			trans	57.5	49.2	-175.8	-142.8	-97.5	0	0	0	113.1	F209 N210 Q345 C347 D445	F209-F447 HydrophobicContact CE1-CD1 4.25Å; F209-F447 AromaticContact CE1-CE1 3.9Å; F209-F447 HydrophobicContact CE1-CE1 3.9Å; F209-F447 HydrophobicContact CE2-CE1 4.27Å; F209-F447 AromaticContact CZ-CD1 3.81Å; F209-F447 HydrophobicContact CZ-CD1 3.81Å; F209-F447 AromaticContact CZ-CE1 3.44Å; F209-F447 HydrophobicContact CZ-CE1 3.44Å; F209-F447 VanDerWaalsContact CZ-CE1 3.44Å; N210-F447 HydrophobicContact CB-CE1 4.27Å; N210-F447 HydrophobicContact CB-CZ 4.25Å; Q345-F447 VanDerWaalsContact C-CE1 3.43Å; Q345-F447 HydrophobicContact CB-CD1 3.97Å; Q345-F447 HydrophobicContact CB-CE1 3.75Å; Q345-F447 HydrophobicContact CG-CD1 4.26Å; Q345-F447 HydrophobicContact CG-CE1 4.49Å; Q345-F447 WeakPolarHBondContact O-CE1 3.47Å; Q345-F447 WeakPolarHBondContact O-CZ 3.43Å; C347-F447 HydrophobicContact CB-CE2 4.48Å; D445-F447 PolarHBondContact OD1-N 2.88Å
448	G	98.4	Very high	97.8	Very high	7 Å²	7	33.7 Å²	33.7	7%	0.072	16%	0.158	C	C	.	.	S	Bend	trans	-157.1	175.8	-177.3	0	0	0	0	0	111.5	S343 I450	S343-G448 CarbonylContact O-C 3.56Å; S343-G448 VanDerWaalsContact O-C 3.27Å; S343-G448 WeakPolarHBondContact O-CA 3.49Å; G448-I450 PolarHBondContact O-N 3Å
449	P	98.4	Very high	97.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.172	C	C	.	.	S	Bend	trans	-84	60.3	-168.6	36.3	-35.9	0	0	0	111.5	F340 S343 I427 T430	F340-P449 HydrophobicContact CD1-CB 3.95Å; F340-P449 WeakPolarHBondContact CE1-O 3.45Å; S343-P449 WeakPolarHBondContact O-CD 3.26Å; S343-P449 VanDerWaalsContact O-N 3.1Å; I427-P449 HydrophobicContact CB-CG 4.13Å; I427-P449 HydrophobicContact CG2-CG 3.85Å; T430-P449 PolarHBondContact N-O 3.5Å
450	I	98.8	Very high	97.9	Very high	5 Å²	5	38.7 Å²	38.7	3%	0.026	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	120.2	179.9	-55.8	-175.4	0	0	0	109.6	I398 L402 T430 L432 I446 G448	I398-I450 HydrophobicContact CG2-CD1 3.88Å; I398-I450 HydrophobicContact CG2-CG1 4.27Å; L402-I450 HydrophobicContact CD2-CD1 3.52Å; L402-I450 HydrophobicContact CD2-CG1 3.98Å; L402-I450 HydrophobicContact CG-CD1 3.81Å; T430-I450 WeakPolarHBondContact O-CA 3.44Å; L432-I450 HydrophobicContact CD1-CG2 3.69Å; L432-I450 HydrophobicContact CG-CG2 4.33Å; I446-I450 HydrophobicContact CD1-CB 4.38Å; I446-I450 HydrophobicContact CD1-CD1 4.34Å; I446-I450 HydrophobicContact CD1-CG2 4.4Å; I446-I450 HydrophobicContact CG2-CD1 4.14Å; G448-I450 PolarHBondContact O-N 3Å
451	L	98.8	Very high	97.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	118.2	172	-179.1	64.3	0	0	0	109.5	T335 F340 L353 T430 L432	T335-L451 HydrophobicContact CG2-CD1 4.49Å; T335-L451 HydrophobicContact CG2-CD2 3.47Å; T335-L451 VanDerWaalsContact CG2-CD2 3.47Å; F340-L451 HydrophobicContact CE1-CB 4.25Å; F340-L451 HydrophobicContact CZ-CB 4Å; L353-L451 HydrophobicContact CB-CD1 3.92Å; L353-L451 HydrophobicContact CB-CD2 4.36Å; L353-L451 HydrophobicContact CB-CG 4.24Å; L353-L451 HydrophobicContact CD2-CD2 4.07Å; T430-L451 PolarHBondContact O-N 3.45Å; L432-L451 PolarHBondContact N-O 3.17Å
452	C	98.7	Very high	97.9	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.007	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	123.8	174.1	-165	0	0	0	0	110.1	S351 R352 L353 L441 M442	S351-C452 PolarHBondContact O-N 3.39Å; R352-C452 CarbonylContact C-O 3.59Å; R352-C452 WeakPolarHBondContact CA-O 3.41Å; L353-C452 PolarHBondContact N-O 3.4Å; L441-C452 HydrophobicContact CB-CB 4.19Å; M442-C452 HydrophobicContact CG-CB 4.4Å; M442-C452 HydrophobicContact SD-CB 3.62Å
453	T	98.8	Very high	97.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	135.5	-174.7	-48	0	0	0	0	110.2	L353 V355 W360 L432 I433 T434 L455	L353-T453 HydrophobicContact CB-CG2 4.14Å; L353-T453 HydrophobicContact CD2-CG2 3.66Å; L353-T453 HydrophobicContact CG-CG2 3.9Å; L353-T453 CarbonylContact O-C 3.56Å; L353-T453 VanDerWaalsContact O-CA 3.29Å; L353-T453 WeakPolarHBondContact O-CA 3.37Å; V355-T453 HydrophobicContact CG2-CG2 4Å; W360-T453 HydrophobicContact CH2-CG2 4.32Å; W360-T453 HydrophobicContact CZ3-CG2 4Å; L432-T453 WeakPolarHBondContact O-CA 3.34Å; L432-T453 WeakPolarHBondContact O-CB 3.32Å; L432-T453 PolarHBondContact O-N 2.93Å; L432-T453 PolarHBondContact O-OG1 2.83Å; I433-T453 CarbonylContact C-O 3.53Å; I433-T453 VanDerWaalsContact CA-O 3.3Å; I433-T453 WeakPolarHBondContact CA-O 3.42Å; T434-T453 PolarHBondContact N-O 3.26Å; T453-L455 HydrophobicContact CG2-CD2 4.02Å
454	Y	98.7	Very high	98	Very high	44 Å²	44	42.8 Å²	42.8	17%	0.173	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	129.3	168.5	179.3	-107	0	0	0	109.6	L353 Y354 V355 T434 P437 L467	L353-Y454 PolarHBondContact O-N 3.41Å; Y354-Y454 WeakPolarHBondContact CA-O 3.48Å; Y354-Y454 HydrophobicContact CD1-CD1 4.04Å; Y354-Y454 HydrophobicContact CE1-CD1 4.4Å; V355-Y454 PolarHBondContact N-O 3.44Å; V355-Y454 VanDerWaalsContact N-O 3.09Å; T434-Y454 WeakPolarHBondContact O-CD2 3.48Å; P437-Y454 HydrophobicContact CB-CD1 4.13Å; P437-Y454 HydrophobicContact CB-CD2 3.61Å; P437-Y454 HydrophobicContact CB-CE1 4.18Å; P437-Y454 HydrophobicContact CB-CE2 3.68Å; P437-Y454 HydrophobicContact CB-CG 3.83Å; P437-Y454 HydrophobicContact CG-CD2 4.17Å; P437-Y454 HydrophobicContact CG-CE1 4.46Å; P437-Y454 HydrophobicContact CG-CE2 3.71Å; Y454-L467 HydrophobicContact CD1-CD2 3.77Å; Y454-L467 HydrophobicContact CE1-CD2 3.65Å
455	L	98.7	Very high	98	Very high	44 Å²	44	40 Å²	40	23%	0.23	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	123.8	176	-53.9	-174.9	0	0	0	109	V355 E357 W360 I433 T453	V355-L455 HydrophobicContact CB-CD2 4.04Å; V355-L455 CarbonylContact O-C 3.57Å; V355-L455 VanDerWaalsContact O-CA 3.31Å; V355-L455 WeakPolarHBondContact O-CA 3.33Å; E357-L455 HydrophobicContact CB-CB 4.39Å; W360-L455 HydrophobicContact CB-CD1 4.09Å; W360-L455 HydrophobicContact CB-CD2 3.93Å; W360-L455 HydrophobicContact CD2-CD1 4.21Å; W360-L455 HydrophobicContact CD2-CD2 3.6Å; W360-L455 HydrophobicContact CE3-CD2 3.71Å; W360-L455 HydrophobicContact CG-CD1 3.67Å; W360-L455 HydrophobicContact CG-CD2 3.68Å; W360-L455 HydrophobicContact CG-CG 4.35Å; W360-L455 HydrophobicContact CZ3-CD2 4.46Å; I433-L455 HydrophobicContact CD1-CD1 4.5Å; I433-L455 HydrophobicContact CG2-CD1 4.34Å; I433-L455 HydrophobicContact CG2-CG 4.16Å; T453-L455 HydrophobicContact CG2-CD2 4.02Å
456	Y	98.6	Very high	98.1	Very high	3 Å²	3	42.4 Å²	42.4	1%	0.012	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	155.2	179.8	75	-89.3	0	0	0	110.9	F321 I322 V355 P356 E357 I461 T464	F321-Y456 HydrophobicContact CE2-CE1 4.14Å; F321-Y456 HydrophobicContact CZ-CE1 4.21Å; F321-Y456 HydrophobicContact CZ-CE2 4.4Å; F321-Y456 AromaticContact CZ-CZ 3.76Å; F321-Y456 VanDerWaalsContact CZ-OH 3.31Å; F321-Y456 WeakPolarHBondContact CZ-OH 3.47Å; I322-Y456 PolarHBondContact O-OH 2.92Å; V355-Y456 VanDerWaalsContact O-CD1 3.23Å; V355-Y456 WeakPolarHBondContact O-CD1 3.47Å; V355-Y456 PolarHBondContact O-N 3.28Å; P356-Y456 CarbonylContact C-O 3.53Å; P356-Y456 WeakPolarHBondContact CA-O 3.44Å; P356-Y456 HydrophobicContact CG-CE1 3.96Å; P356-Y456 HydrophobicContact CG-CE2 4.3Å; P356-Y456 WeakPolarHBondContact CG-OH 3.49Å; E357-Y456 PolarHBondContact N-O 2.78Å; Y456-I461 HydrophobicContact CE2-CG1 4.16Å; Y456-T464 VanDerWaalsContact CB-OG1 3.32Å; Y456-T464 WeakPolarHBondContact CB-OG1 3.28Å; Y456-T464 HydrophobicContact CD1-CG2 3.78Å; Y456-T464 HydrophobicContact CD2-CG2 4.16Å; Y456-T464 VanDerWaalsContact CD2-OG1 3.25Å; Y456-T464 WeakPolarHBondContact CD2-OG1 3.48Å; Y456-T464 HydrophobicContact CE1-CG2 4.29Å; Y456-T464 HydrophobicContact CG-CG2 3.7Å
457	R	98.3	Very high	98.2	Very high	136 Å²	136	43.3 Å²	43.3	51%	0.513	20%	0.204	S	C	.	.			trans	-71.3	135.4	176	-64.7	-177.3	174.8	167.8	-4.8	110.2	N459 E460	R457-N459 WeakPolarHBondContact CB-OD1 3.43Å; R457-N459 PolarHBondContact O-N 3.01Å; R457-E460 HydrophobicContact CB-CB 4.18Å; R457-E460 HydrophobicContact CB-CG 3.95Å; R457-E460 IonicContact NH1-OE1 2.62Å; R457-E460 PolarHBondContact O-N 3.37Å
458	E	96.1	Very high	98.2	Very high	98 Å²	98	41.3 Å²	41.3	46%	0.458	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-26.4	-174.4	67.6	179.3	161.8	0	0	114.6	P324 P356 N358 I461	P324-E458 HydrophobicContact CG-CB 4.49Å; P356-E458 HydrophobicContact CB-CB 4.39Å; N358-E458 PolarHBondContact ND2-OE2 2.82Å; E458-I461 WeakPolarHBondContact O-CG1 3.37Å
459	N	96.3	Very high	98.1	Very high	133 Å²	133	42.9 Å²	42.9	71%	0.711	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-0.4	177.9	66.8	-23.8	0	0	0	114.1	R457	R457-N459 WeakPolarHBondContact CB-OD1 3.43Å; R457-N459 PolarHBondContact O-N 3.01Å
460	E	97.9	Very high	98.1	Very high	45 Å²	45	47 Å²	47	21%	0.21	23%	0.231	C	C	.	.			trans	-104.3	36.1	179.1	-67.6	-170.6	-177.6	0	0	111.9	R457 E462 K463 T464	R457-E460 HydrophobicContact CB-CB 4.18Å; R457-E460 HydrophobicContact CB-CG 3.95Å; R457-E460 IonicContact NH1-OE1 2.62Å; R457-E460 PolarHBondContact O-N 3.37Å; E460-E462 PolarHBondContact O-N 3.41Å; E460-K463 HydrophobicContact CB-CB 4.38Å; E460-K463 PolarHBondContact O-N 3.47Å; E460-K463 IonicContact OE1-NZ 2.7Å; E460-K463 WeakPolarHBondContact OE2-CD 3.49Å; E460-K463 IonicContact OE2-NZ 2.69Å; E460-K463 PolarHBondContact OE2-NZ 2.93Å; E460-T464 WeakPolarHBondContact O-CB 3.35Å; E460-T464 PolarHBondContact O-N 3.08Å; E460-T464 PolarHBondContact O-OG1 2.86Å
461	I	98.2	Very high	98	Very high	32 Å²	32	47.1 Å²	47.1	16%	0.164	23%	0.232	C	C	.	.	H	α-helix	trans	-56.3	-53.5	-178.6	-68.1	171.6	0	0	0	111.2	F321 P324 Y456 E458 K463 T464 L465 F487	F321-I461 HydrophobicContact CZ-CG2 4.28Å; P324-I461 HydrophobicContact CG-CD1 4.36Å; Y456-I461 HydrophobicContact CE2-CG1 4.16Å; E458-I461 WeakPolarHBondContact O-CG1 3.37Å; I461-K463 PolarHBondContact O-N 3.02Å; I461-T464 CarbonylContact O-C 3.56Å; I461-T464 WeakPolarHBondContact O-CA 3.25Å; I461-T464 WeakPolarHBondContact O-CB 3.39Å; I461-T464 PolarHBondContact O-N 2.87Å; I461-L465 HydrophobicContact CG2-CD1 4.23Å; I461-L465 HydrophobicContact CG2-CG 4.37Å; I461-L465 WeakPolarHBondContact O-CG 3.46Å; I461-L465 PolarHBondContact O-N 2.89Å; I461-F487 HydrophobicContact CG2-CD2 4.33Å; I461-F487 HydrophobicContact CG2-CE2 3.5Å; I461-F487 HydrophobicContact CG2-CZ 4.19Å
462	E	98.1	Very high	97.9	Very high	90 Å²	90	47.6 Å²	47.6	42%	0.421	24%	0.235	S	C	.	.	H	α-helix	trans	-57.4	-48.3	-178.4	-68.3	-53.5	140.3	0	0	112.6	E460 T464 L465 D466 Y490	E460-E462 PolarHBondContact O-N 3.41Å; E462-T464 PolarHBondContact O-N 2.93Å; E462-L465 WeakPolarHBondContact O-CB 3.4Å; E462-L465 PolarHBondContact O-N 2.66Å; E462-D466 PolarHBondContact O-N 3.24Å; E462-Y490 VanDerWaalsContact CD-OH 3.22Å; E462-Y490 WeakPolarHBondContact OE1-CE1 3.42Å; E462-Y490 PolarHBondContact OE1-OH 3.3Å; E462-Y490 PolarHBondContact OE2-OH 3.2Å
463	K	98.2	Very high	97.7	Very high	122 Å²	122	52.7 Å²	52.7	53%	0.53	26%	0.262	S	S	.	.	H	α-helix	trans	-60.8	-31.9	176.6	-179.8	-179.7	165.4	-156.8	0	111.9	E460 I461 L467	E460-K463 HydrophobicContact CB-CB 4.38Å; E460-K463 PolarHBondContact O-N 3.47Å; E460-K463 IonicContact OE1-NZ 2.7Å; E460-K463 WeakPolarHBondContact OE2-CD 3.49Å; E460-K463 IonicContact OE2-NZ 2.69Å; E460-K463 PolarHBondContact OE2-NZ 2.93Å; I461-K463 PolarHBondContact O-N 3.02Å; K463-L467 WeakPolarHBondContact O-CB 3.4Å; K463-L467 PolarHBondContact O-N 3.41Å; K463-L467 VanDerWaalsContact O-N 3.09Å
464	T	98.4	Very high	97.6	Very high	3 Å²	3	54.4 Å²	54.4	2%	0.018	27%	0.269	C	S	.	.	H	α-helix	trans	-76.3	-34.5	176.1	-50.6	0	0	0	0	111.5	F321 Y354 Y456 E460 I461 E462 L467 V468	F321-T464 HydrophobicContact CD2-CG2 4.33Å; F321-T464 HydrophobicContact CE2-CG2 3.67Å; Y354-T464 HydrophobicContact CD1-CG2 3.92Å; Y354-T464 HydrophobicContact CG-CG2 4.37Å; Y456-T464 VanDerWaalsContact CB-OG1 3.32Å; Y456-T464 WeakPolarHBondContact CB-OG1 3.28Å; Y456-T464 HydrophobicContact CD1-CG2 3.78Å; Y456-T464 HydrophobicContact CD2-CG2 4.16Å; Y456-T464 VanDerWaalsContact CD2-OG1 3.25Å; Y456-T464 WeakPolarHBondContact CD2-OG1 3.48Å; Y456-T464 HydrophobicContact CE1-CG2 4.29Å; Y456-T464 HydrophobicContact CG-CG2 3.7Å; E460-T464 WeakPolarHBondContact O-CB 3.35Å; E460-T464 PolarHBondContact O-N 3.08Å; E460-T464 PolarHBondContact O-OG1 2.86Å; I461-T464 CarbonylContact O-C 3.56Å; I461-T464 WeakPolarHBondContact O-CA 3.25Å; I461-T464 WeakPolarHBondContact O-CB 3.39Å; I461-T464 PolarHBondContact O-N 2.87Å; E462-T464 PolarHBondContact O-N 2.93Å; T464-L467 WeakPolarHBondContact O-CB 3.49Å; T464-L467 PolarHBondContact O-N 2.93Å; T464-V468 VanDerWaalsContact O-CG2 3.28Å; T464-V468 WeakPolarHBondContact O-CG2 3.29Å; T464-V468 PolarHBondContact O-N 3.19Å
465	L	98.4	Very high	97.4	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-64.6	-40.9	171.1	-63.2	178.9	0	0	0	111.5	F321 I461 E462 L467 V468 D469 F487 Y490 R494 L495	F321-L465 HydrophobicContact CD2-CD2 4.19Å; F321-L465 HydrophobicContact CE1-CD2 4.43Å; F321-L465 HydrophobicContact CE2-CD2 3.89Å; F321-L465 HydrophobicContact CZ-CD2 4.03Å; I461-L465 HydrophobicContact CG2-CD1 4.23Å; I461-L465 HydrophobicContact CG2-CG 4.37Å; I461-L465 WeakPolarHBondContact O-CG 3.46Å; I461-L465 PolarHBondContact O-N 2.89Å; E462-L465 WeakPolarHBondContact O-CB 3.4Å; E462-L465 PolarHBondContact O-N 2.66Å; L465-L467 VanDerWaalsContact C-N 3.25Å; L465-L467 PolarHBondContact O-N 3.26Å; L465-V468 PolarHBondContact O-N 2.83Å; L465-D469 PolarHBondContact O-N 2.86Å; L465-D469 VanDerWaalsContact O-N 3.17Å; L465-F487 HydrophobicContact CD1-CE2 4.22Å; L465-F487 HydrophobicContact CD2-CZ 4.45Å; L465-Y490 HydrophobicContact CD1-CD1 4.37Å; L465-Y490 HydrophobicContact CD1-CE1 3.75Å; L465-R494 HydrophobicContact CD1-CG 4.22Å; L465-L495 HydrophobicContact CD2-CD1 3.96Å; L465-L495 HydrophobicContact CD2-CD2 4.23Å; L465-L495 HydrophobicContact CD2-CG 4.29Å
466	D	98.1	Very high	97.3	Very high	79 Å²	79	50.4 Å²	50.4	42%	0.422	25%	0.251	S	S	.	.	H	α-helix	trans	-58.2	-40	171	-68.7	-22.5	0	0	0	111.5	E462 S470 R494	E462-D466 PolarHBondContact O-N 3.24Å; D466-S470 VanDerWaalsContact O-CB 3.32Å; D466-S470 WeakPolarHBondContact O-CB 3.33Å; D466-S470 PolarHBondContact O-N 2.96Å; D466-S470 PolarHBondContact O-OG 2.88Å; D466-R494 IonicContact OD1-CZ 2.85Å; D466-R494 IonicContact OD1-NH2 3.86Å; D466-R494 PolarHBondContact OD1-NH2 3.38Å
467	L	98	Very high	97.2	Very high	25 Å²	25	50.3 Å²	50.3	13%	0.131	25%	0.25	C	S	.	.	H	α-helix	trans	-68.2	-44	177.6	178.3	67.1	0	0	0	112.2	Y354 P437 T438 Y454 K463 T464 L465 D469 S470 T471	Y354-L467 HydrophobicContact CD1-CD2 4.41Å; Y354-L467 HydrophobicContact CE1-CD2 3.87Å; Y354-L467 HydrophobicContact CE1-CG 4.12Å; P437-L467 HydrophobicContact CB-CD1 3.77Å; P437-L467 HydrophobicContact CB-CD2 3.39Å; P437-L467 HydrophobicContact CB-CG 4.08Å; P437-L467 HydrophobicContact CG-CD1 4.02Å; P437-L467 HydrophobicContact CG-CD2 3.94Å; T438-L467 HydrophobicContact CG2-CD1 4.48Å; Y454-L467 HydrophobicContact CD1-CD2 3.77Å; Y454-L467 HydrophobicContact CE1-CD2 3.65Å; K463-L467 WeakPolarHBondContact O-CB 3.4Å; K463-L467 PolarHBondContact O-N 3.41Å; K463-L467 VanDerWaalsContact O-N 3.09Å; T464-L467 WeakPolarHBondContact O-CB 3.49Å; T464-L467 PolarHBondContact O-N 2.93Å; L465-L467 VanDerWaalsContact C-N 3.25Å; L465-L467 PolarHBondContact O-N 3.26Å; L467-D469 PolarHBondContact O-N 3Å; L467-S470 PolarHBondContact O-N 2.85Å; L467-T471 VanDerWaalsContact CD1-OG1 3.3Å; L467-T471 WeakPolarHBondContact CD1-OG1 3.33Å; L467-T471 VanDerWaalsContact O-CB 3.29Å; L467-T471 WeakPolarHBondContact O-CB 3.47Å; L467-T471 PolarHBondContact O-N 3Å; L467-T471 PolarHBondContact O-OG1 2.86Å
468	V	98.1	Very high	97.2	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.006	23%	0.226	C	C	.	.	H	α-helix	trans	-53.7	-46	176.7	168.6	0	0	0	0	110.5	Y319 F321 R352 Y354 T464 L465 L495	Y319-V468 HydrophobicContact CD1-CG1 3.91Å; Y319-V468 HydrophobicContact CD2-CG1 3.82Å; Y319-V468 HydrophobicContact CE1-CG1 3.81Å; Y319-V468 HydrophobicContact CE2-CG1 3.74Å; Y319-V468 HydrophobicContact CG-CG1 3.91Å; F321-V468 HydrophobicContact CD2-CG2 3.98Å; R352-V468 PolarHBondContact NH1-O 2.86Å; Y354-V468 HydrophobicContact CD1-CG2 4.25Å; Y354-V468 HydrophobicContact CD2-CG2 3.7Å; Y354-V468 HydrophobicContact CE1-CG2 4.17Å; Y354-V468 HydrophobicContact CE2-CB 4.43Å; Y354-V468 HydrophobicContact CE2-CG2 3.59Å; Y354-V468 HydrophobicContact CG-CG2 4.03Å; T464-V468 VanDerWaalsContact O-CG2 3.28Å; T464-V468 WeakPolarHBondContact O-CG2 3.29Å; T464-V468 PolarHBondContact O-N 3.19Å; L465-V468 PolarHBondContact O-N 2.83Å; V468-L495 HydrophobicContact CB-CD2 4.37Å; V468-L495 HydrophobicContact CG1-CD2 4.01Å
469	D	97.2	Very high	97.3	Very high	40 Å²	40	39.1 Å²	39.1	21%	0.214	20%	0.204	C	C	.	.	H	α-helix	trans	-68.2	-45	-179.3	179.8	31.5	0	0	0	113.5	L465 L467 R494 T498 R522	L465-D469 PolarHBondContact O-N 2.86Å; L465-D469 VanDerWaalsContact O-N 3.17Å; L467-D469 PolarHBondContact O-N 3Å; D469-R494 IonicContact OD2-NH1 2.84Å; D469-T498 HydrophobicContact CB-CG2 3.78Å; D469-T498 WeakPolarHBondContact OD1-CG2 3.16Å; D469-R522 PolarHBondContact O-NH1 3.01Å; D469-R522 IonicContact OD1-CZ 3.24Å; D469-R522 IonicContact OD1-NH1 3.84Å; D469-R522 PolarHBondContact OD1-NH1 3.26Å; D469-R522 IonicContact OD1-NH2 3.38Å; D469-R522 PolarHBondContact OD1-NH2 2.9Å
470	S	97	Very high	97.4	Very high	87 Å²	87	32.8 Å²	32.8	61%	0.608	17%	0.17	S	C	*	.	H	α-helix	trans	-88.8	-18.3	-171.1	59.6	0	0	0	0	115.3	D466 L467 T472	D466-S470 VanDerWaalsContact O-CB 3.32Å; D466-S470 WeakPolarHBondContact O-CB 3.33Å; D466-S470 PolarHBondContact O-N 2.96Å; D466-S470 PolarHBondContact O-OG 2.88Å; L467-S470 PolarHBondContact O-N 2.85Å; S470-T472 VanDerWaalsContact C-N 3.26Å; S470-T472 PolarHBondContact O-N 2.88Å
471	T	97.2	Very high	97.4	Very high	7 Å²	7	30.7 Å²	30.7	4%	0.043	16%	0.16	C	C	.	.	S	Bend	trans	-62.5	-32.5	-173.5	-67.1	0	0	0	0	112.8	M442 K443 L467	M442-T471 HydrophobicContact CB-CG2 3.82Å; K443-T471 WeakPolarHBondContact CE-O 3.16Å; K443-T471 HydrophobicContact CG-CG2 4.23Å; K443-T471 VanDerWaalsContact CG-O 3.32Å; K443-T471 WeakPolarHBondContact CG-O 3.33Å; L467-T471 VanDerWaalsContact CD1-OG1 3.3Å; L467-T471 WeakPolarHBondContact CD1-OG1 3.33Å; L467-T471 VanDerWaalsContact O-CB 3.29Å; L467-T471 WeakPolarHBondContact O-CB 3.47Å; L467-T471 PolarHBondContact O-N 3Å; L467-T471 PolarHBondContact O-OG1 2.86Å
472	T	96.2	Very high	97.4	Very high	9 Å²	9	29.2 Å²	29.2	6%	0.055	15%	0.153	C	C	.	.			trans	-143.7	147.7	-173.3	-170.9	0	0	0	0	112.5	K317 R352 K443 S470 Y474	K317-T472 HydrophobicContact CB-CG2 4.02Å; K317-T472 HydrophobicContact CG-CG2 4.39Å; R352-T472 VanDerWaalsContact CZ-CG2 3.45Å; R352-T472 VanDerWaalsContact NH2-CG2 3.35Å; K443-T472 PolarHBondContact O-OG1 3.45Å; S470-T472 VanDerWaalsContact C-N 3.26Å; S470-T472 PolarHBondContact O-N 2.88Å; T472-Y474 PolarHBondContact O-N 2.86Å; T472-Y474 VanDerWaalsContact OG1-CD2 3.31Å; T472-Y474 WeakPolarHBondContact OG1-CD2 3.44Å; T472-Y474 PolarHBondContact OG1-N 3.39Å
473	D	94.9	Very high	97.4	Very high	109 Å²	109	30.1 Å²	30.1	58%	0.583	16%	0.157	S	C	*	.	S	Bend	trans	-80.5	1.7	174.1	-63.6	-36.5	0	0	0	112.7	R522 L523	D473-R522 WeakPolarHBondContact O-CB 3.06Å; D473-L523 HydrophobicContact CB-CD1 3.39Å; D473-L523 HydrophobicContact CB-CG 3.69Å; D473-L523 WeakPolarHBondContact O-CB 3.23Å; D473-L523 WeakPolarHBondContact O-CG 3.37Å; D473-L523 PolarHBondContact O-N 3.35Å
474	Y	96.3	Very high	97.4	Very high	36 Å²	36	27.5 Å²	27.5	14%	0.141	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	140.7	174.7	-70.4	-68	0	0	0	111.4	T287 G315 K317 D445 T472 L523 S524	T287-Y474 WeakPolarHBondContact OG1-CE1 3.34Å; T287-Y474 PolarHBondContact OG1-OH 3.49Å; G315-Y474 VanDerWaalsContact O-CD1 3.28Å; G315-Y474 WeakPolarHBondContact O-CD1 3.47Å; K317-Y474 HydrophobicContact CB-CD2 3.95Å; K317-Y474 HydrophobicContact CB-CG 4.33Å; D445-Y474 HydrophobicContact CB-CE2 4.01Å; T472-Y474 PolarHBondContact O-N 2.86Å; T472-Y474 VanDerWaalsContact OG1-CD2 3.31Å; T472-Y474 WeakPolarHBondContact OG1-CD2 3.44Å; T472-Y474 PolarHBondContact OG1-N 3.39Å; Y474-L523 HydrophobicContact CD1-CB 3.92Å; Y474-L523 HydrophobicContact CE1-CB 3.93Å; Y474-S524 WeakPolarHBondContact CD1-OG 3.21Å
475	A	96	Very high	97.3	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.008	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	72.6	178.5	0	0	0	0	0	110.8	T498 G500 G520 A521 R522 S524	A475-T498 WeakPolarHBondContact CA-O 3.47Å; A475-T498 WeakPolarHBondContact CB-O 3.25Å; A475-G500 PolarHBondContact O-N 2.86Å; A475-G520 WeakPolarHBondContact O-CA 3.14Å; A475-A521 HydrophobicContact CB-CB 3.99Å; A475-A521 PolarHBondContact O-N 3.36Å; A475-R522 HydrophobicContact CB-CB 4.06Å; A475-R522 HydrophobicContact CB-CG 3.75Å; A475-S524 PolarHBondContact N-OG 3.13Å; A475-S524 VanDerWaalsContact N-OG 3.1Å
476	L	96	Very high	97.3	Very high	2 Å²	2	42 Å²	42	1%	0.01	22%	0.216	C	C	.	.	S	Bend	trans	-104.5	-75.1	-178.4	-174.5	55.5	0	0	0	111.3	N318 C347 G500 N501 F518	N318-L476 WeakPolarHBondContact OD1-CB 3.5Å; C347-L476 HydrophobicContact CB-CD2 3.6Å; C347-L476 VanDerWaalsContact O-CD2 3.32Å; C347-L476 WeakPolarHBondContact O-CD2 3.42Å; L476-G500 PolarHBondContact O-N 3.22Å; L476-N501 PolarHBondContact O-N 3.2Å; L476-F518 HydrophobicContact CD1-CE1 3.92Å; L476-F518 HydrophobicContact CD1-CZ 3.8Å; L476-F518 HydrophobicContact CD2-CE1 4.49Å; L476-F518 HydrophobicContact CD2-CZ 4.09Å; L476-F518 HydrophobicContact CG-CZ 4.03Å
477	T	96.7	Very high	97.3	Very high	1 Å²	1	39 Å²	39	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	156	177.3	73.6	0	0	0	0	112.7	N318 S348 N501 Y503 S508 F518	N318-T477 VanDerWaalsContact CA-O 3.29Å; N318-T477 WeakPolarHBondContact CA-O 3.48Å; N318-T477 WeakPolarHBondContact CB-O 3.44Å; N318-T477 VanDerWaalsContact CB-OG1 3.28Å; N318-T477 WeakPolarHBondContact CB-OG1 3.4Å; N318-T477 PolarHBondContact OD1-N 3.24Å; N318-T477 PolarHBondContact OD1-O 3Å; N318-T477 PolarHBondContact OD1-OG1 2.81Å; N318-T477 VanDerWaalsContact OD1-OG1 3.11Å; S348-T477 PolarHBondContact O-OG1 2.95Å; T477-N501 VanDerWaalsContact CA-O 3.27Å; T477-N501 WeakPolarHBondContact CA-O 3.15Å; T477-N501 HydrophobicContact CG2-CB 3.93Å; T477-Y503 HydrophobicContact CG2-CE2 4.13Å; T477-S508 WeakPolarHBondContact CB-O 3.45Å; T477-S508 PolarHBondContact OG1-O 3.08Å; T477-F518 HydrophobicContact CG2-CE2 3.75Å; T477-F518 HydrophobicContact CG2-CZ 4.23Å
478	G	97.3	Very high	97.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160	149.3	176	0	0	0	0	0	110.5	Y319 T499 N501 Y503	Y319-G478 CarbonylContact O-C 3.51Å; Y319-G478 VanDerWaalsContact O-CA 3.31Å; Y319-G478 WeakPolarHBondContact O-CA 3.44Å; G478-T499 VanDerWaalsContact N-CG2 3.28Å; G478-N501 PolarHBondContact N-O 3.04Å; G478-Y503 WeakPolarHBondContact O-CD2 3.27Å; G478-Y503 PolarHBondContact O-N 3.48Å
479	S	98.1	Very high	97.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	139.4	177.1	-169.1	0	0	0	0	111.9	Y319 H320 F321 Y503 V506	Y319-S479 PolarHBondContact O-N 2.92Å; H320-S479 CarbonylContact C-O 3.59Å; H320-S479 WeakPolarHBondContact CA-O 3.48Å; F321-S479 PolarHBondContact N-O 2.97Å; S479-Y503 VanDerWaalsContact CA-O 3.26Å; S479-Y503 WeakPolarHBondContact CA-O 3.3Å; S479-Y503 PolarHBondContact OG-O 3.41Å; S479-V506 VanDerWaalsContact CB-O 3.31Å; S479-V506 WeakPolarHBondContact CB-O 3.36Å; S479-V506 PolarHBondContact OG-O 2.78Å
480	I	98.3	Very high	97.3	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	137.4	166.4	64.6	171	0	0	0	109.6	F321 I488 A491 L495 F502 Y503 I504 N505	F321-I480 HydrophobicContact CB-CG2 4.3Å; F321-I480 WeakPolarHBondContact O-CA 3.29Å; I480-I488 HydrophobicContact CD1-CB 4.19Å; I480-I488 HydrophobicContact CD1-CG1 4.01Å; I480-I488 HydrophobicContact CD1-CG2 4.17Å; I480-A491 HydrophobicContact CD1-CB 4.03Å; I480-A491 HydrophobicContact CG2-CB 4.45Å; I480-L495 HydrophobicContact CG2-CD1 4.14Å; I480-F502 HydrophobicContact CB-CZ 4.35Å; I480-F502 HydrophobicContact CD1-CE1 3.88Å; I480-F502 HydrophobicContact CD1-CZ 3.99Å; I480-F502 HydrophobicContact CG1-CE1 3.87Å; I480-F502 HydrophobicContact CG1-CZ 3.98Å; I480-F502 HydrophobicContact CG2-CE1 4.29Å; I480-F502 HydrophobicContact CG2-CE2 4.2Å; I480-F502 HydrophobicContact CG2-CZ 3.52Å; I480-Y503 PolarHBondContact N-O 3Å; I480-I504 HydrophobicContact CD1-CG1 4.23Å; I480-I504 HydrophobicContact CG1-CB 4.4Å; I480-I504 HydrophobicContact CG1-CG1 3.99Å; I480-I504 HydrophobicContact CG1-CG2 4.32Å; I480-I504 WeakPolarHBondContact O-CA 3.33Å; I480-N505 PolarHBondContact O-N 2.98Å
481	F	98.6	Very high	97.3	Very high	1 Å²	1	44.8 Å²	44.8	0%	0.004	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	116.5	169.3	-69.5	-94.9	0	0	0	108.3	H320 F321 I322 H323 A326 A331 N505 V506	H320-F481 HydrophobicContact CB-CE2 4.26Å; H320-F481 AromaticContact CE1-CE2 3.8Å; H320-F481 AromaticContact CG-CE2 3.77Å; H320-F481 AromaticContact ND1-CE2 3.52Å; F321-F481 PolarHBondContact O-N 3.43Å; I322-F481 HydrophobicContact CD1-CB 3.94Å; I322-F481 HydrophobicContact CD1-CD2 3.64Å; I322-F481 HydrophobicContact CD1-CE2 4.47Å; I322-F481 HydrophobicContact CD1-CG 4.01Å; H323-F481 VanDerWaalsContact CB-O 3.24Å; H323-F481 WeakPolarHBondContact CB-O 3.3Å; H323-F481 PolarHBondContact N-O 3.47Å; A326-F481 HydrophobicContact CB-CB 3.94Å; A326-F481 WeakPolarHBondContact CB-O 3.26Å; A331-F481 HydrophobicContact CB-CB 3.99Å; A331-F481 HydrophobicContact CB-CD1 3.62Å; A331-F481 HydrophobicContact CB-CD2 4.29Å; A331-F481 HydrophobicContact CB-CE1 4.15Å; A331-F481 HydrophobicContact CB-CG 3.69Å; F481-N505 VanDerWaalsContact CA-OD1 3.31Å; F481-N505 WeakPolarHBondContact CA-OD1 3.42Å; F481-V506 WeakPolarHBondContact CZ-O 3.5Å
482	A	98.2	Very high	97.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	21%	0.214	C	C	.	.			trans	-161.8	152.9	-177	0	0	0	0	0	110.4	H323 F487 I488 N505	H323-A482 HydrophobicContact CB-CB 3.62Å; A482-F487 HydrophobicContact CB-CD1 3.9Å; A482-F487 HydrophobicContact CB-CE1 4.38Å; A482-I488 HydrophobicContact CB-CD1 4.21Å; A482-I488 HydrophobicContact CB-CG1 3.81Å; A482-N505 PolarHBondContact N-OD1 3.22Å; A482-N505 PolarHBondContact O-ND2 3.41Å; A482-N505 PolarHBondContact O-OD1 2.87Å
483	Q	98	Very high	97.2	Very high	110 Å²	110	50.9 Å²	50.9	51%	0.514	24%	0.242	S	C	.	.	S	Bend	trans	-107.2	-8.3	167.7	-64	-68.9	-37	0	0	112	S325 E485	S325-Q483 VanDerWaalsContact O-CB 3.23Å; S325-Q483 WeakPolarHBondContact O-CB 3.23Å; S325-Q483 WeakPolarHBondContact O-CG 3.42Å; S325-Q483 PolarHBondContact O-N 3.22Å; S325-Q483 PolarHBondContact OG-N 3.03Å; Q483-E485 PolarHBondContact O-N 2.88Å
484	D	97.9	Very high	97.2	Very high	66 Å²	66	49 Å²	49	35%	0.353	23%	0.227	S	C	.	.			trans	-81.3	110.8	178.5	-179	-26.8	0	0	0	109.3	S325 E486 F487 I488	S325-D484 WeakPolarHBondContact OG-CB 3.35Å; S325-D484 PolarHBondContact OG-N 2.82Å; D484-E486 PolarHBondContact OD1-N 3.38Å; D484-F487 HydrophobicContact CB-CB 3.89Å; D484-F487 PolarHBondContact O-N 3.04Å; D484-F487 PolarHBondContact OD1-N 3Å; D484-I488 WeakPolarHBondContact O-CD1 3.4Å; D484-I488 WeakPolarHBondContact O-CG1 3.49Å; D484-I488 PolarHBondContact O-N 3.1Å
485	E	97	Very high	97.2	Very high	143 Å²	143	47.3 Å²	47.3	67%	0.668	22%	0.22	S	C	*	.	H	α-helix	trans	-69.9	-32.3	-176.7	-61.3	-162.5	144.2	0	0	113.4	Q483 I488 K489	Q483-E485 PolarHBondContact O-N 2.88Å; E485-I488 PolarHBondContact O-N 3.19Å; E485-K489 WeakPolarHBondContact O-CB 3.32Å; E485-K489 PolarHBondContact O-N 2.86Å
486	E	97.8	Very high	97.1	Very high	165 Å²	165	51.2 Å²	51.2	77%	0.771	24%	0.24	S	C	*	.	H	α-helix	trans	-67.9	-45.2	176.6	-66	-168.3	163.1	0	0	109.6	D484 K489 Y490	D484-E486 PolarHBondContact OD1-N 3.38Å; E486-K489 PolarHBondContact O-N 3.42Å; E486-Y490 WeakPolarHBondContact O-CB 3.14Å; E486-Y490 PolarHBondContact O-N 3.35Å
487	F	98.1	Very high	96.9	Very high	16 Å²	16	56.5 Å²	56.5	7%	0.07	27%	0.269	C	S	.	.	H	α-helix	trans	-62	-44.3	173.3	178.2	-99.6	0	0	0	112	F321 H323 I461 L465 A482 D484 K489 Y490 A491	F321-F487 HydrophobicContact CD1-CE1 4.29Å; F321-F487 HydrophobicContact CD1-CZ 4.11Å; F321-F487 AromaticContact CE1-CE1 3.98Å; F321-F487 HydrophobicContact CE1-CE1 3.98Å; F321-F487 AromaticContact CE1-CZ 3.5Å; F321-F487 HydrophobicContact CE1-CZ 3.5Å; F321-F487 VanDerWaalsContact CE1-CZ 3.5Å; F321-F487 HydrophobicContact CZ-CZ 4.22Å; H323-F487 HydrophobicContact CB-CD1 4.01Å; H323-F487 HydrophobicContact CB-CE1 3.77Å; H323-F487 AromaticContact CD2-CD1 3.37Å; H323-F487 WeakPolarHBondContact CD2-CD1 3.23Å; H323-F487 AromaticContact CD2-CD2 3.66Å; H323-F487 AromaticContact CD2-CE1 3.44Å; H323-F487 VanDerWaalsContact CD2-CE1 3.44Å; H323-F487 WeakPolarHBondContact CD2-CE1 3.38Å; H323-F487 AromaticContact CD2-CE2 3.74Å; H323-F487 AromaticContact CD2-CG 3.48Å; H323-F487 VanDerWaalsContact CD2-CG 3.48Å; H323-F487 WeakPolarHBondContact CD2-CG 3.31Å; H323-F487 AromaticContact CD2-CZ 3.63Å; H323-F487 AromaticContact CG-CD1 3.57Å; H323-F487 AromaticContact CG-CE1 3.71Å; H323-F487 AromaticContact NE2-CD1 3.88Å; H323-F487 AromaticContact NE2-CD2 3.72Å; H323-F487 AromaticContact NE2-CG 3.54Å; I461-F487 HydrophobicContact CG2-CD2 4.33Å; I461-F487 HydrophobicContact CG2-CE2 3.5Å; I461-F487 HydrophobicContact CG2-CZ 4.19Å; L465-F487 HydrophobicContact CD1-CE2 4.22Å; L465-F487 HydrophobicContact CD2-CZ 4.45Å; A482-F487 HydrophobicContact CB-CD1 3.9Å; A482-F487 HydrophobicContact CB-CE1 4.38Å; D484-F487 HydrophobicContact CB-CB 3.89Å; D484-F487 PolarHBondContact O-N 3.04Å; D484-F487 PolarHBondContact OD1-N 3Å; F487-K489 VanDerWaalsContact C-N 3.32Å; F487-K489 PolarHBondContact O-N 3.44Å; F487-Y490 HydrophobicContact CD2-CD1 4.48Å; F487-Y490 PolarHBondContact O-N 3.26Å; F487-A491 HydrophobicContact CD1-CB 4.42Å; F487-A491 HydrophobicContact CE1-CB 3.93Å; F487-A491 HydrophobicContact CE2-CB 4.22Å; F487-A491 HydrophobicContact CZ-CB 3.82Å; F487-A491 VanDerWaalsContact O-CB 3.26Å; F487-A491 WeakPolarHBondContact O-CB 3.12Å; F487-A491 PolarHBondContact O-N 3.45Å
488	I	97.8	Very high	96.9	Very high	13 Å²	13	56.7 Å²	56.7	7%	0.067	27%	0.27	C	S	.	.	H	α-helix	trans	-57.4	-47.7	178.3	-74.8	164.2	0	0	0	110.6	I480 A482 D484 E485 T492 I504	I480-I488 HydrophobicContact CD1-CB 4.19Å; I480-I488 HydrophobicContact CD1-CG1 4.01Å; I480-I488 HydrophobicContact CD1-CG2 4.17Å; A482-I488 HydrophobicContact CB-CD1 4.21Å; A482-I488 HydrophobicContact CB-CG1 3.81Å; D484-I488 WeakPolarHBondContact O-CD1 3.4Å; D484-I488 WeakPolarHBondContact O-CG1 3.49Å; D484-I488 PolarHBondContact O-N 3.1Å; E485-I488 PolarHBondContact O-N 3.19Å; I488-T492 VanDerWaalsContact O-CB 3.28Å; I488-T492 WeakPolarHBondContact O-CB 3.35Å; I488-T492 PolarHBondContact O-N 3.06Å; I488-T492 PolarHBondContact O-OG1 3.48Å; I488-I504 HydrophobicContact CD1-CG2 4.11Å; I488-I504 HydrophobicContact CG1-CG2 4.29Å; I488-I504 HydrophobicContact CG2-CD1 3.8Å; I488-I504 HydrophobicContact CG2-CG1 4.38Å; I488-I504 HydrophobicContact CG2-CG2 4Å
489	K	97.1	Very high	96.7	Very high	167 Å²	167	56.8 Å²	56.8	73%	0.726	27%	0.27	S	S	*	.	H	α-helix	trans	-62.1	-46.6	178.7	-177.4	-177.8	176.5	-173.6	0	111	E485 E486 F487 T492 D493	E485-K489 WeakPolarHBondContact O-CB 3.32Å; E485-K489 PolarHBondContact O-N 2.86Å; E486-K489 PolarHBondContact O-N 3.42Å; F487-K489 VanDerWaalsContact C-N 3.32Å; F487-K489 PolarHBondContact O-N 3.44Å; K489-T492 PolarHBondContact O-N 3.19Å; K489-D493 PolarHBondContact O-N 3.1Å
490	Y	98	Very high	96.4	Very high	94 Å²	94	57 Å²	57	37%	0.369	27%	0.272	S	S	.	.	H	α-helix	trans	-60.3	-52.6	178.1	172.9	-108.1	0	0	0	112.1	E462 L465 E486 F487 T492 D493 R494	E462-Y490 VanDerWaalsContact CD-OH 3.22Å; E462-Y490 WeakPolarHBondContact OE1-CE1 3.42Å; E462-Y490 PolarHBondContact OE1-OH 3.3Å; E462-Y490 PolarHBondContact OE2-OH 3.2Å; L465-Y490 HydrophobicContact CD1-CD1 4.37Å; L465-Y490 HydrophobicContact CD1-CE1 3.75Å; E486-Y490 WeakPolarHBondContact O-CB 3.14Å; E486-Y490 PolarHBondContact O-N 3.35Å; F487-Y490 HydrophobicContact CD2-CD1 4.48Å; F487-Y490 PolarHBondContact O-N 3.26Å; Y490-T492 VanDerWaalsContact C-N 3.31Å; Y490-T492 PolarHBondContact O-N 3.24Å; Y490-D493 PolarHBondContact O-N 3.18Å; Y490-R494 HydrophobicContact CE1-CB 4.38Å; Y490-R494 HydrophobicContact CE1-CG 4.43Å; Y490-R494 HydrophobicContact CE2-CB 4.43Å; Y490-R494 VanDerWaalsContact O-CB 3.29Å; Y490-R494 WeakPolarHBondContact O-CB 3.49Å; Y490-R494 PolarHBondContact O-N 2.89Å
491	A	97.6	Very high	96.2	Very high	0 Å²	0	57 Å²	57	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-64.1	-35.1	-178.9	0	0	0	0	0	112.5	I480 F487 D493 R494 L495	I480-A491 HydrophobicContact CD1-CB 4.03Å; I480-A491 HydrophobicContact CG2-CB 4.45Å; F487-A491 HydrophobicContact CD1-CB 4.42Å; F487-A491 HydrophobicContact CE1-CB 3.93Å; F487-A491 HydrophobicContact CE2-CB 4.22Å; F487-A491 HydrophobicContact CZ-CB 3.82Å; F487-A491 VanDerWaalsContact O-CB 3.26Å; F487-A491 WeakPolarHBondContact O-CB 3.12Å; F487-A491 PolarHBondContact O-N 3.45Å; A491-D493 VanDerWaalsContact C-N 3.33Å; A491-D493 PolarHBondContact O-N 3.5Å; A491-R494 PolarHBondContact O-N 3.48Å; A491-L495 WeakPolarHBondContact O-CB 3.21Å; A491-L495 WeakPolarHBondContact O-CG 3.12Å; A491-L495 PolarHBondContact O-N 2.84Å
492	T	95.6	Very high	96	Very high	25 Å²	25	57 Å²	57	15%	0.153	27%	0.272	C	S	.	.	H	α-helix	trans	-61.3	-42.2	175.7	-60.4	0	0	0	0	111.6	I488 K489 Y490 F502 I532	I488-T492 VanDerWaalsContact O-CB 3.28Å; I488-T492 WeakPolarHBondContact O-CB 3.35Å; I488-T492 PolarHBondContact O-N 3.06Å; I488-T492 PolarHBondContact O-OG1 3.48Å; K489-T492 PolarHBondContact O-N 3.19Å; Y490-T492 VanDerWaalsContact C-N 3.31Å; Y490-T492 PolarHBondContact O-N 3.24Å; T492-F502 HydrophobicContact CG2-CD1 4.3Å; T492-F502 HydrophobicContact CG2-CE1 4.32Å; T492-F502 WeakPolarHBondContact OG1-CE1 3.26Å; T492-I532 HydrophobicContact CG2-CD1 3.5Å; T492-I532 VanDerWaalsContact CG2-CD1 3.5Å; T492-I532 HydrophobicContact CG2-CG1 4.22Å
493	D	95.6	Very high	95.9	Very high	120 Å²	120	57 Å²	57	64%	0.642	27%	0.272	S	S	*	.	H	α-helix	trans	-72.5	-48.9	175.6	-172.3	69.3	0	0	0	111.1	K489 Y490 A491 L495 I496	K489-D493 PolarHBondContact O-N 3.1Å; Y490-D493 PolarHBondContact O-N 3.18Å; A491-D493 VanDerWaalsContact C-N 3.33Å; A491-D493 PolarHBondContact O-N 3.5Å; D493-L495 VanDerWaalsContact C-N 3.29Å; D493-L495 PolarHBondContact O-N 3.46Å; D493-I496 WeakPolarHBondContact O-CB 3.24Å; D493-I496 VanDerWaalsContact O-CG2 3.28Å; D493-I496 WeakPolarHBondContact O-CG2 3.31Å; D493-I496 PolarHBondContact O-N 3.35Å
494	R	96	Very high	95.9	Very high	69 Å²	69	52.1 Å²	52.1	26%	0.26	25%	0.249	S	C	.	.	H	α-helix	trans	-61.2	-33	-177	178.5	60.2	-171.2	86.9	-4.1	113.6	L465 D466 D469 Y490 A491	L465-R494 HydrophobicContact CD1-CG 4.22Å; D466-R494 IonicContact OD1-CZ 2.85Å; D466-R494 IonicContact OD1-NH2 3.86Å; D466-R494 PolarHBondContact OD1-NH2 3.38Å; D469-R494 IonicContact OD2-NH1 2.84Å; Y490-R494 HydrophobicContact CE1-CB 4.38Å; Y490-R494 HydrophobicContact CE1-CG 4.43Å; Y490-R494 HydrophobicContact CE2-CB 4.43Å; Y490-R494 VanDerWaalsContact O-CB 3.29Å; Y490-R494 WeakPolarHBondContact O-CB 3.49Å; Y490-R494 PolarHBondContact O-N 2.89Å; A491-R494 PolarHBondContact O-N 3.48Å
495	L	95.9	Very high	95.8	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	9.5	-176.4	-63.8	176.2	0	0	0	113.5	Y319 L465 V468 I480 A491 D493 D497 T498 F502	Y319-L495 HydrophobicContact CE2-CD1 4.23Å; L465-L495 HydrophobicContact CD2-CD1 3.96Å; L465-L495 HydrophobicContact CD2-CD2 4.23Å; L465-L495 HydrophobicContact CD2-CG 4.29Å; V468-L495 HydrophobicContact CB-CD2 4.37Å; V468-L495 HydrophobicContact CG1-CD2 4.01Å; I480-L495 HydrophobicContact CG2-CD1 4.14Å; A491-L495 WeakPolarHBondContact O-CB 3.21Å; A491-L495 WeakPolarHBondContact O-CG 3.12Å; A491-L495 PolarHBondContact O-N 2.84Å; D493-L495 VanDerWaalsContact C-N 3.29Å; D493-L495 PolarHBondContact O-N 3.46Å; L495-D497 PolarHBondContact O-N 3.12Å; L495-D497 VanDerWaalsContact O-N 3.09Å; L495-T498 HydrophobicContact CB-CG2 4.4Å; L495-T498 HydrophobicContact CD2-CG2 4.01Å; L495-T498 WeakPolarHBondContact O-CB 3.44Å; L495-T498 PolarHBondContact O-N 2.75Å; L495-T498 PolarHBondContact O-OG1 3.22Å; L495-F502 HydrophobicContact CB-CE2 3.77Å; L495-F502 HydrophobicContact CB-CZ 4.44Å; L495-F502 HydrophobicContact CD1-CE2 3.95Å; L495-F502 HydrophobicContact CD1-CZ 4.24Å
496	I	92.7	Very high	95.8	Very high	84 Å²	84	43.3 Å²	43.3	43%	0.431	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-54.6	-34	-173.6	-163.9	168.6	0	0	0	113.7	D493 T498 C530	D493-I496 WeakPolarHBondContact O-CB 3.24Å; D493-I496 VanDerWaalsContact O-CG2 3.28Å; D493-I496 WeakPolarHBondContact O-CG2 3.31Å; D493-I496 PolarHBondContact O-N 3.35Å; I496-T498 VanDerWaalsContact C-N 3.34Å; I496-C530 HydrophobicContact CG1-CB 4.26Å
497	D	93.1	Very high	95.7	Very high	113 Å²	113	37.3 Å²	37.3	60%	0.604	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-84.8	-5	-179.1	-71.5	-40.1	0	0	0	114.2	L495 R522	L495-D497 PolarHBondContact O-N 3.12Å; L495-D497 VanDerWaalsContact O-N 3.09Å; D497-R522 VanDerWaalsContact O-CZ 3.3Å; D497-R522 PolarHBondContact O-NE 3.31Å; D497-R522 PolarHBondContact O-NH2 2.94Å; D497-R522 VanDerWaalsContact O-NH2 3.12Å
498	T	95.3	Very high	95.6	Very high	5 Å²	5	36.6 Å²	36.6	3%	0.031	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-92.5	-7.2	-177.7	72.4	0	0	0	0	112.8	Y319 D469 A475 L495 I496	Y319-T498 PolarHBondContact OH-OG1 3.32Å; D469-T498 HydrophobicContact CB-CG2 3.78Å; D469-T498 WeakPolarHBondContact OD1-CG2 3.16Å; A475-T498 WeakPolarHBondContact CA-O 3.47Å; A475-T498 WeakPolarHBondContact CB-O 3.25Å; L495-T498 HydrophobicContact CB-CG2 4.4Å; L495-T498 HydrophobicContact CD2-CG2 4.01Å; L495-T498 WeakPolarHBondContact O-CB 3.44Å; L495-T498 PolarHBondContact O-N 2.75Å; L495-T498 PolarHBondContact O-OG1 3.22Å; I496-T498 VanDerWaalsContact C-N 3.34Å
499	T	94.1	Very high	95.5	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.012	17%	0.174	C	C	.	.			trans	-149.3	146	-176.1	64.9	0	0	0	0	111.6	Y319 G478 F502	Y319-T499 HydrophobicContact CE1-CG2 3.71Å; Y319-T499 WeakPolarHBondContact OH-CG2 3.29Å; G478-T499 VanDerWaalsContact N-CG2 3.28Å; T499-F502 HydrophobicContact CG2-CD2 4.04Å
500	G	92	Very high	95.1	Very high	3 Å²	3	30.1 Å²	30.1	3%	0.031	16%	0.159	C	C	.	.	S	Bend	trans	-92.7	-15.8	157.1	0	0	0	0	0	113.1	A475 L476 G519 C530 T531	A475-G500 PolarHBondContact O-N 2.86Å; L476-G500 PolarHBondContact O-N 3.22Å; G500-G519 CarbonylContact C-O 3.35Å; G500-G519 WeakPolarHBondContact CA-O 3.28Å; G500-C530 CarbonylContact O-C 3.59Å; G500-C530 VanDerWaalsContact O-CA 3.27Å; G500-C530 WeakPolarHBondContact O-CA 3.47Å; G500-T531 PolarHBondContact O-N 3.44Å
501	N	93	Very high	94.8	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	110.8	168.3	-68.6	82.7	0	0	0	110.6	L476 T477 G478 Y503 P517 F518 G519 T531	L476-N501 PolarHBondContact O-N 3.2Å; T477-N501 VanDerWaalsContact CA-O 3.27Å; T477-N501 WeakPolarHBondContact CA-O 3.15Å; T477-N501 HydrophobicContact CG2-CB 3.93Å; G478-N501 PolarHBondContact N-O 3.04Å; N501-Y503 HydrophobicContact CB-CE2 3.67Å; N501-Y503 WeakPolarHBondContact O-CD2 3.33Å; N501-P517 PolarHBondContact ND2-O 2.8Å; N501-F518 WeakPolarHBondContact OD1-CA 3.41Å; N501-F518 WeakPolarHBondContact OD1-CD2 3.43Å; N501-G519 PolarHBondContact OD1-N 2.67Å; N501-G519 PolarHBondContact OD1-O 3.28Å; N501-T531 CarbonylContact C-O 3.54Å; N501-T531 WeakPolarHBondContact CA-O 3.45Å
502	F	94.7	Very high	94.6	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	132.5	179	-163.6	-97.7	0	0	0	110.7	Y319 I480 T492 L495 T499 I504 T531 I532 K533	Y319-F502 WeakPolarHBondContact OH-CE2 3.03Å; I480-F502 HydrophobicContact CB-CZ 4.35Å; I480-F502 HydrophobicContact CD1-CE1 3.88Å; I480-F502 HydrophobicContact CD1-CZ 3.99Å; I480-F502 HydrophobicContact CG1-CE1 3.87Å; I480-F502 HydrophobicContact CG1-CZ 3.98Å; I480-F502 HydrophobicContact CG2-CE1 4.29Å; I480-F502 HydrophobicContact CG2-CE2 4.2Å; I480-F502 HydrophobicContact CG2-CZ 3.52Å; T492-F502 HydrophobicContact CG2-CD1 4.3Å; T492-F502 HydrophobicContact CG2-CE1 4.32Å; T492-F502 WeakPolarHBondContact OG1-CE1 3.26Å; L495-F502 HydrophobicContact CB-CE2 3.77Å; L495-F502 HydrophobicContact CB-CZ 4.44Å; L495-F502 HydrophobicContact CD1-CE2 3.95Å; L495-F502 HydrophobicContact CD1-CZ 4.24Å; T499-F502 HydrophobicContact CG2-CD2 4.04Å; F502-I504 HydrophobicContact CD1-CG1 4.1Å; F502-I504 HydrophobicContact CE1-CD1 4.47Å; F502-I504 HydrophobicContact CE1-CG1 3.94Å; F502-T531 PolarHBondContact N-O 3.11Å; F502-I532 HydrophobicContact CB-CG1 4.29Å; F502-I532 CarbonylContact O-C 3.58Å; F502-I532 VanDerWaalsContact O-CA 3.28Å; F502-I532 WeakPolarHBondContact O-CA 3.48Å; F502-K533 PolarHBondContact O-N 3.48Å
503	Y	96.3	Very high	94.5	Very high	1 Å²	1	28.7 Å²	28.7	0%	0.004	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	146.5	-176.2	-64.5	-92.5	0	0	0	110.3	T477 G478 S479 I480 N501 V506 S511 K533	T477-Y503 HydrophobicContact CG2-CE2 4.13Å; G478-Y503 WeakPolarHBondContact O-CD2 3.27Å; G478-Y503 PolarHBondContact O-N 3.48Å; S479-Y503 VanDerWaalsContact CA-O 3.26Å; S479-Y503 WeakPolarHBondContact CA-O 3.3Å; S479-Y503 PolarHBondContact OG-O 3.41Å; I480-Y503 PolarHBondContact N-O 3Å; N501-Y503 HydrophobicContact CB-CE2 3.67Å; N501-Y503 WeakPolarHBondContact O-CD2 3.33Å; Y503-V506 HydrophobicContact CD1-CG1 3.72Å; Y503-V506 HydrophobicContact CG-CG1 4.23Å; Y503-S511 PolarHBondContact OH-N 3.16Å; Y503-K533 CarbonylContact C-O 3.59Å; Y503-K533 WeakPolarHBondContact CA-O 3.25Å; Y503-K533 HydrophobicContact CD1-CB 3.8Å; Y503-K533 HydrophobicContact CD1-CD 3.93Å; Y503-K533 HydrophobicContact CD1-CG 4.32Å; Y503-K533 HydrophobicContact CE1-CB 4.09Å; Y503-K533 HydrophobicContact CE1-CD 3.8Å
504	I	97.3	Very high	94.2	Very high	7 Å²	7	25 Å²	25	4%	0.036	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	121.2	179.3	-57.8	165.3	0	0	0	107.9	I480 I488 F502 V506 I532 K533 K534 N535	I480-I504 HydrophobicContact CD1-CG1 4.23Å; I480-I504 HydrophobicContact CG1-CB 4.4Å; I480-I504 HydrophobicContact CG1-CG1 3.99Å; I480-I504 HydrophobicContact CG1-CG2 4.32Å; I480-I504 WeakPolarHBondContact O-CA 3.33Å; I488-I504 HydrophobicContact CD1-CG2 4.11Å; I488-I504 HydrophobicContact CG1-CG2 4.29Å; I488-I504 HydrophobicContact CG2-CD1 3.8Å; I488-I504 HydrophobicContact CG2-CG1 4.38Å; I488-I504 HydrophobicContact CG2-CG2 4Å; F502-I504 HydrophobicContact CD1-CG1 4.1Å; F502-I504 HydrophobicContact CE1-CD1 4.47Å; F502-I504 HydrophobicContact CE1-CG1 3.94Å; I504-V506 PolarHBondContact O-N 3.48Å; I504-I532 HydrophobicContact CD1-CG2 3.75Å; I504-I532 HydrophobicContact CG1-CG2 4.49Å; I504-K533 PolarHBondContact N-O 3.26Å; I504-K534 HydrophobicContact CB-CB 4.15Å; I504-K534 HydrophobicContact CB-CG 4.1Å; I504-K534 HydrophobicContact CD1-CB 4.34Å; I504-K534 HydrophobicContact CG2-CD 4.37Å; I504-K534 HydrophobicContact CG2-CG 4.04Å; I504-N535 PolarHBondContact O-N 2.93Å
505	N	97.3	Very high	94	Very high	16 Å²	16	26.7 Å²	26.7	9%	0.086	16%	0.162	C	C	.	.	S	Bend	trans	55.1	34.7	179.8	-62.3	-30	0	0	0	114.2	I480 F481 A482	I480-N505 PolarHBondContact O-N 2.98Å; F481-N505 VanDerWaalsContact CA-OD1 3.31Å; F481-N505 WeakPolarHBondContact CA-OD1 3.42Å; A482-N505 PolarHBondContact N-OD1 3.22Å; A482-N505 PolarHBondContact O-ND2 3.41Å; A482-N505 PolarHBondContact O-OD1 2.87Å
506	V	96.6	Very high	93.8	Very high	8 Å²	8	27.7 Å²	27.7	5%	0.048	17%	0.167	C	C	.	.	S	Bend	trans	-153.4	158.8	176.8	68.1	0	0	0	0	110	S479 F481 Y503 I504 N535	S479-V506 VanDerWaalsContact CB-O 3.31Å; S479-V506 WeakPolarHBondContact CB-O 3.36Å; S479-V506 PolarHBondContact OG-O 2.78Å; F481-V506 WeakPolarHBondContact CZ-O 3.5Å; Y503-V506 HydrophobicContact CD1-CG1 3.72Å; Y503-V506 HydrophobicContact CG-CG1 4.23Å; I504-V506 PolarHBondContact O-N 3.48Å; V506-N535 WeakPolarHBondContact CG2-ND2 3.48Å
507	Q	96.4	Very high	93.5	Very high	40 Å²	40	27.9 Å²	27.9	19%	0.187	17%	0.174	C	C	.	.			trans	-52.3	145.3	174.2	59.4	-86.1	14.7	0	0	112.8	G334 T509	G334-Q507 WeakPolarHBondContact O-CB 3.35Å; Q507-T509 WeakPolarHBondContact CG-O 3.44Å; Q507-T509 WeakPolarHBondContact CG-OG1 3.44Å; Q507-T509 PolarHBondContact O-N 3.2Å
508	S	95.9	Very high	93.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	-71.2	19.8	176.3	57.9	0	0	0	0	114.5	H320 S338 T477	H320-S508 PolarHBondContact CD2-OG 3.27Å; H320-S508 WeakPolarHBondContact NE2-CB 3.27Å; H320-S508 PolarHBondContact NE2-N 3.37Å; H320-S508 PolarHBondContact NE2-OG 2.95Å; S338-S508 PolarHBondContact OG-OG 3.01Å; S338-S508 VanDerWaalsContact OG-OG 3.05Å; T477-S508 WeakPolarHBondContact CB-O 3.45Å; T477-S508 PolarHBondContact OG1-O 3.08Å
509	T	94.6	Very high	92.9	Very high	4 Å²	4	26 Å²	26	3%	0.025	16%	0.161	C	C	.	.			trans	-134.2	166.9	-178.7	55.5	0	0	0	0	109.9	S338 S348 Q507	S338-T509 WeakPolarHBondContact OG-CG2 3.19Å; S348-T509 WeakPolarHBondContact O-CG2 3.22Å; Q507-T509 WeakPolarHBondContact CG-O 3.44Å; Q507-T509 WeakPolarHBondContact CG-OG1 3.44Å; Q507-T509 PolarHBondContact O-N 3.2Å
510	G	89.8	Confident	92.5	Very high	40 Å²	40	25.9 Å²	25.9	41%	0.412	16%	0.16	S	C	.	.			trans	89	40.3	176.2	0	0	0	0	0	113.2	K533	G510-K533 PolarHBondContact O-NZ 3.02Å
511	S	91.5	Very high	92.4	Very high	25 Å²	25	27 Å²	27	18%	0.175	17%	0.169	C	C	.	.			trans	-61.7	138.3	158.9	-161.3	0	0	0	0	109	Y503 Q516	Y503-S511 PolarHBondContact OH-N 3.16Å; S511-Q516 WeakPolarHBondContact OG-CB 3.46Å; S511-Q516 PolarHBondContact OG-O 3.26Å
512	V	93.1	Very high	92.5	Very high	47 Å²	47	31.8 Å²	31.8	29%	0.285	19%	0.187	S	C	.	.			trans	-117.5	131.9	176.2	-177.9	0	0	0	0	108.9	G514 Q515 Q516	V512-G514 PolarHBondContact O-N 3.06Å; V512-Q515 HydrophobicContact CB-CB 4.16Å; V512-Q515 HydrophobicContact CB-CG 4.04Å; V512-Q515 HydrophobicContact CG1-CG 4.02Å; V512-Q515 PolarHBondContact O-N 2.9Å; V512-Q516 PolarHBondContact O-N 2.99Å
513	V	92.4	Very high	92.4	Very high	18 Å²	18	33.9 Å²	33.9	11%	0.109	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	135	179.8	179.5	0	0	0	0	109.8	N32 E164 D167 F168 F171 Q515	N32-V513 PolarHBondContact ND2-O 3.35Å; E164-V513 HydrophobicContact CG-CG2 3.83Å; D167-V513 HydrophobicContact CB-CB 3.79Å; D167-V513 HydrophobicContact CB-CG1 3.93Å; D167-V513 HydrophobicContact CB-CG2 4.29Å; F168-V513 HydrophobicContact CD1-CG1 4.35Å; F168-V513 HydrophobicContact CD1-CG2 4.08Å; F168-V513 HydrophobicContact CE1-CG2 3.86Å; F168-V513 HydrophobicContact CE2-CG2 4.49Å; F168-V513 HydrophobicContact CG-CG2 4.47Å; F168-V513 HydrophobicContact CZ-CG2 4.07Å; F171-V513 HydrophobicContact CB-CG1 3.91Å; F171-V513 HydrophobicContact CD2-CG1 3.71Å; F171-V513 HydrophobicContact CG-CG1 4Å; V513-Q515 PolarHBondContact O-N 2.68Å; V513-Q515 VanDerWaalsContact O-N 3.12Å
514	G	90.1	Very high	92.3	Very high	43 Å²	43	33.9 Å²	33.9	44%	0.443	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	-13	-177.4	0	0	0	0	0	115.6	V512	V512-G514 PolarHBondContact O-N 3.06Å
515	Q	92	Very high	91.6	Very high	103 Å²	103	34 Å²	34	48%	0.481	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-42.4	174.1	-52.9	-175.6	13.3	0	0	112.1	N32 V512 V513	N32-Q515 PolarHBondContact OD1-NE2 3Å; N32-Q515 VanDerWaalsContact OD1-NE2 3.09Å; V512-Q515 HydrophobicContact CB-CB 4.16Å; V512-Q515 HydrophobicContact CB-CG 4.04Å; V512-Q515 HydrophobicContact CG1-CG 4.02Å; V512-Q515 PolarHBondContact O-N 2.9Å; V513-Q515 PolarHBondContact O-N 2.68Å; V513-Q515 VanDerWaalsContact O-N 3.12Å
516	Q	90.9	Very high	90.2	Very high	22 Å²	22	38.5 Å²	38.5	10%	0.103	22%	0.22	C	C	.	.	S	Bend	trans	-132.6	112.7	177.3	-64.6	90.2	44.3	0	0	109.2	S511 V512 F518 T531 K533	S511-Q516 WeakPolarHBondContact OG-CB 3.46Å; S511-Q516 PolarHBondContact OG-O 3.26Å; V512-Q516 PolarHBondContact O-N 2.99Å; Q516-F518 PolarHBondContact O-N 3.3Å; Q516-T531 HydrophobicContact CB-CG2 3.68Å; Q516-T531 HydrophobicContact CG-CG2 3.88Å; Q516-K533 HydrophobicContact CG-CB 4.45Å
517	P	87.6	Confident	88.4	Confident	88 Å²	88	41.9 Å²	41.9	57%	0.571	24%	0.237	S	C	*	.			trans	-54.4	130.5	166.3	-23.7	33.2	0	0	0	109.5	N501 T531	N501-P517 PolarHBondContact ND2-O 2.8Å; P517-T531 WeakPolarHBondContact CD-OG1 3.37Å; P517-T531 WeakPolarHBondContact O-CB 3.26Å; P517-T531 PolarHBondContact O-OG1 2.63Å
518	F	89.6	Confident	86.4	Confident	75 Å²	75	49.9 Å²	49.9	33%	0.329	27%	0.271	S	S	.	.			trans	-108	132.7	-178.8	-171.7	-95.6	0	0	0	110.6	L476 T477 N501 Q516 L527	L476-F518 HydrophobicContact CD1-CE1 3.92Å; L476-F518 HydrophobicContact CD1-CZ 3.8Å; L476-F518 HydrophobicContact CD2-CE1 4.49Å; L476-F518 HydrophobicContact CD2-CZ 4.09Å; L476-F518 HydrophobicContact CG-CZ 4.03Å; T477-F518 HydrophobicContact CG2-CE2 3.75Å; T477-F518 HydrophobicContact CG2-CZ 4.23Å; N501-F518 WeakPolarHBondContact OD1-CA 3.41Å; N501-F518 WeakPolarHBondContact OD1-CD2 3.43Å; Q516-F518 PolarHBondContact O-N 3.3Å; F518-L527 WeakPolarHBondContact O-CD1 3.43Å
519	G	85.9	Confident	84.4	Confident	3 Å²	3	54 Å²	54	3%	0.031	30%	0.299	C	S	.	.			trans	-176.4	157.5	-179.7	0	0	0	0	0	114.3	G500 N501	G500-G519 CarbonylContact C-O 3.35Å; G500-G519 WeakPolarHBondContact CA-O 3.28Å; N501-G519 PolarHBondContact OD1-N 2.67Å; N501-G519 PolarHBondContact OD1-O 3.28Å
520	G	86.4	Confident	82.8	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.312	C	S	.	.			trans	-107.1	155.3	173.4	0	0	0	0	0	114.4	E313 A475 G525 K526 L527	E313-G520 PolarHBondContact OE2-N 2.7Å; A475-G520 WeakPolarHBondContact O-CA 3.14Å; G520-G525 CarbonylContact O-C 3.58Å; G520-G525 VanDerWaalsContact O-CA 3.28Å; G520-G525 WeakPolarHBondContact O-CA 3.35Å; G520-K526 PolarHBondContact O-N 3.24Å; G520-L527 PolarHBondContact O-N 3.25Å
521	A	89.9	Confident	81.9	Confident	26 Å²	26	55 Å²	55	22%	0.215	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	-179.1	163.3	0	0	0	0	0	110.7	A475 L523 S524 G525	A475-A521 HydrophobicContact CB-CB 3.99Å; A475-A521 PolarHBondContact O-N 3.36Å; A521-L523 PolarHBondContact O-N 3.35Å; A521-S524 WeakPolarHBondContact O-CA 3.25Å; A521-S524 VanDerWaalsContact O-CB 3.31Å; A521-S524 WeakPolarHBondContact O-CB 3.35Å; A521-S524 PolarHBondContact O-N 3.46Å; A521-G525 PolarHBondContact O-N 3.46Å
522	R	93.3	Very high	81	Confident	102 Å²	102	58.2 Å²	58.2	39%	0.385	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	48.5	-125.8	179.1	-52.6	-178.9	-170.5	-172.5	-9	112.3	D469 D473 A475 D497 S524	D469-R522 PolarHBondContact O-NH1 3.01Å; D469-R522 IonicContact OD1-CZ 3.24Å; D469-R522 IonicContact OD1-NH1 3.84Å; D469-R522 PolarHBondContact OD1-NH1 3.26Å; D469-R522 IonicContact OD1-NH2 3.38Å; D469-R522 PolarHBondContact OD1-NH2 2.9Å; D473-R522 WeakPolarHBondContact O-CB 3.06Å; A475-R522 HydrophobicContact CB-CB 4.06Å; A475-R522 HydrophobicContact CB-CG 3.75Å; D497-R522 VanDerWaalsContact O-CZ 3.3Å; D497-R522 PolarHBondContact O-NE 3.31Å; D497-R522 PolarHBondContact O-NH2 2.94Å; D497-R522 VanDerWaalsContact O-NH2 3.12Å; R522-S524 VanDerWaalsContact C-N 3.29Å; R522-S524 PolarHBondContact O-N 3.4Å
523	L	94	Very high	80.4	Confident	44 Å²	44	58.2 Å²	58.2	23%	0.23	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-5.5	178.2	-60.6	-171.9	0	0	0	114.7	T287 C314 D473 Y474 A521	T287-L523 HydrophobicContact CG2-CB 4.14Å; T287-L523 HydrophobicContact CG2-CD1 4.34Å; C314-L523 VanDerWaalsContact CB-O 3.23Å; C314-L523 WeakPolarHBondContact CB-O 3.37Å; D473-L523 HydrophobicContact CB-CD1 3.39Å; D473-L523 HydrophobicContact CB-CG 3.69Å; D473-L523 WeakPolarHBondContact O-CB 3.23Å; D473-L523 WeakPolarHBondContact O-CG 3.37Å; D473-L523 PolarHBondContact O-N 3.35Å; Y474-L523 HydrophobicContact CD1-CB 3.92Å; Y474-L523 HydrophobicContact CE1-CB 3.93Å; A521-L523 PolarHBondContact O-N 3.35Å
524	S	93.6	Very high	79.5	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-23.9	179.2	-66.9	0	0	0	0	113.4	C314 G315 Y474 A475 A521 R522	C314-S524 PolarHBondContact N-O 2.78Å; G315-S524 WeakPolarHBondContact O-CA 3.41Å; G315-S524 WeakPolarHBondContact O-CB 3.41Å; G315-S524 PolarHBondContact O-OG 2.88Å; Y474-S524 WeakPolarHBondContact CD1-OG 3.21Å; A475-S524 PolarHBondContact N-OG 3.13Å; A475-S524 VanDerWaalsContact N-OG 3.1Å; A521-S524 WeakPolarHBondContact O-CA 3.25Å; A521-S524 VanDerWaalsContact O-CB 3.31Å; A521-S524 WeakPolarHBondContact O-CB 3.35Å; A521-S524 PolarHBondContact O-N 3.46Å; R522-S524 VanDerWaalsContact C-N 3.29Å; R522-S524 PolarHBondContact O-N 3.4Å
525	G	83.5	Confident	78.2	Confident	10 Å²	10	67.8 Å²	67.8	10%	0.103	34%	0.344	C	S	.	.			trans	174.3	-176.2	-179.2	0	0	0	0	0	112.8	G520 A521	G520-G525 CarbonylContact O-C 3.58Å; G520-G525 VanDerWaalsContact O-CA 3.28Å; G520-G525 WeakPolarHBondContact O-CA 3.35Å; A521-G525 PolarHBondContact O-N 3.46Å
526	K	67.3	Low	77.5	Confident	111 Å²	111	66 Å²	66	48%	0.483	34%	0.337	S	S	.	.	S	Bend	trans	-108.4	7.2	-180	-65.4	-172.7	-178.3	176	0	113.3	T310 G520	T310-K526 PolarHBondContact O-NZ 3.17Å; T310-K526 PolarHBondContact OG1-NZ 3.35Å; G520-K526 PolarHBondContact O-N 3.24Å
527	L	59.6	Low	76.8	Confident	78 Å²	78	68.3 Å²	68.3	41%	0.408	35%	0.349	S	S	.	.			trans	-76.6	140.8	-177.2	-80.5	162.1	0	0	0	110.3	F518 G520	F518-L527 WeakPolarHBondContact O-CD1 3.43Å; G520-L527 PolarHBondContact O-N 3.25Å
528	K	53.7	Low	76.2	Confident	209 Å²	209	67.2 Å²	67.2	91%	0.909	34%	0.337	S	S	*	.			trans	-102.4	-1	-179.2	-69.7	-168.3	175.9	-170	0	113.5
529	C	52.7	Low	75.4	Confident	86 Å²	86	66.8 Å²	66.8	58%	0.581	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-95.4	130.9	-177.8	-62.1	0	0	0	0	109.3
530	C	61.3	Low	74.8	Confident	44 Å²	44	70.8 Å²	70.8	30%	0.297	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-100	117.6	165.5	-176.5	0	0	0	0	108.7	I496 G500	I496-C530 HydrophobicContact CG1-CB 4.26Å; G500-C530 CarbonylContact O-C 3.59Å; G500-C530 VanDerWaalsContact O-CA 3.27Å; G500-C530 WeakPolarHBondContact O-CA 3.47Å
531	T	71.8	Confident	74	Confident	21 Å²	21	75.5 Å²	75.5	13%	0.129	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	128.7	176.1	-57.9	0	0	0	0	109.9	G500 N501 F502 Q516 P517	G500-T531 PolarHBondContact O-N 3.44Å; N501-T531 CarbonylContact C-O 3.54Å; N501-T531 WeakPolarHBondContact CA-O 3.45Å; F502-T531 PolarHBondContact N-O 3.11Å; Q516-T531 HydrophobicContact CB-CG2 3.68Å; Q516-T531 HydrophobicContact CG-CG2 3.88Å; P517-T531 WeakPolarHBondContact CD-OG1 3.37Å; P517-T531 WeakPolarHBondContact O-CB 3.26Å; P517-T531 PolarHBondContact O-OG1 2.63Å
532	I	71.9	Confident	72.8	Confident	93 Å²	93	79 Å²	79	48%	0.477	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	129	177.7	-60.1	161.8	0	0	0	110.3	T492 F502 I504	T492-I532 HydrophobicContact CG2-CD1 3.5Å; T492-I532 VanDerWaalsContact CG2-CD1 3.5Å; T492-I532 HydrophobicContact CG2-CG1 4.22Å; F502-I532 HydrophobicContact CB-CG1 4.29Å; F502-I532 CarbonylContact O-C 3.58Å; F502-I532 VanDerWaalsContact O-CA 3.28Å; F502-I532 WeakPolarHBondContact O-CA 3.48Å; I504-I532 HydrophobicContact CD1-CG2 3.75Å; I504-I532 HydrophobicContact CG1-CG2 4.49Å
533	K	80.7	Confident	71.3	Confident	46 Å²	46	77.2 Å²	77.2	20%	0.2	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	122.9	170.1	-177.5	-178.9	-177.9	176.9	0	109.9	F502 Y503 I504 G510 Q516	F502-K533 PolarHBondContact O-N 3.48Å; Y503-K533 CarbonylContact C-O 3.59Å; Y503-K533 WeakPolarHBondContact CA-O 3.25Å; Y503-K533 HydrophobicContact CD1-CB 3.8Å; Y503-K533 HydrophobicContact CD1-CD 3.93Å; Y503-K533 HydrophobicContact CD1-CG 4.32Å; Y503-K533 HydrophobicContact CE1-CB 4.09Å; Y503-K533 HydrophobicContact CE1-CD 3.8Å; I504-K533 PolarHBondContact N-O 3.26Å; G510-K533 PolarHBondContact O-NZ 3.02Å; Q516-K533 HydrophobicContact CG-CB 4.45Å
534	K	73.3	Confident	69.4	Low	112 Å²	112	80 Å²	80	49%	0.487	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	134.9	174.6	-175.9	174.6	179.1	-176.5	0	109	I504	I504-K534 HydrophobicContact CB-CB 4.15Å; I504-K534 HydrophobicContact CB-CG 4.1Å; I504-K534 HydrophobicContact CD1-CB 4.34Å; I504-K534 HydrophobicContact CG2-CD 4.37Å; I504-K534 HydrophobicContact CG2-CG 4.04Å
535	N	63.1	Low	67.2	Low	150 Å²	150	87.3 Å²	87.3	80%	0.802	44%	0.443	S	S	*	.			trans	-85.7	0	164.7	-84.9	-7.4	0	0	0	111	I504 V506	I504-N535 PolarHBondContact O-N 2.93Å; V506-N535 WeakPolarHBondContact CG2-ND2 3.48Å

Retrieved 535 of 535 residues in 338.7 ms (Link to these results)

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