A0A087YDT3_POEFO Loading...

Carnitine O-palmitoyltransferase 2, mitochondrial

Involved in the intramitochondrial synthesis of acylcarnitines from accumulated acyl-CoA metabolites. Reconverts acylcarnitines back into the respective acyl-CoA esters that can then undergo beta-oxidation, an essential step for the mitochondrial uptake of long-chain fatty acids and their subsequent beta-oxidation in the mitochondrion. Active with medium (C8-C12) and long-chain (C14-C18) acyl-CoA esters.

AlphaFold DB , UniProt , Accession A0A087YDT3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 667 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	28.7	Very low	25	Very low	241 Å²	241	134.5 Å²	134.5	100%	1.187	83%	0.834	S	S	*	*				0	104	0	-63.4	170.1	-176.1	0	0	105.6
2	A	24.4	Very low	24.9	Very low	85 Å²	85	132.8 Å²	132.8	70%	0.702	83%	0.829	S	S	*	*				86.9	92.2	79.7	0	0	0	0	0	109.7
3	T	24.3	Very low	24.8	Very low	125 Å²	125	133.3 Å²	133.3	77%	0.767	82%	0.821	S	S	*	*				66.4	105.8	75.6	64.5	0	0	0	0	115.2
4	L	25.8	Very low	24.9	Very low	161 Å²	161	139.1 Å²	139.1	84%	0.843	82%	0.82	S	S	*	*			trans	-150.7	117.3	140.5	-87.8	127	0	0	0	104.6
5	L	24.8	Very low	24.9	Very low	156 Å²	156	143.1 Å²	143.1	82%	0.817	82%	0.824	S	S	*	*				60	116.4	69.7	-62	166.7	0	0	0	110.1
6	S	25.8	Very low	25.2	Very low	122 Å²	122	142.3 Å²	142.3	85%	0.853	82%	0.824	S	S	*	*				-141	164.9	52.8	51.4	0	0	0	0	115.5
7	A	25	Very low	25.1	Very low	93 Å²	93	138.5 Å²	138.5	77%	0.769	82%	0.823	S	S	*	*			trans	-147.8	145.8	172.8	0	0	0	0	0	110.8
8	Q	25.3	Very low	25.1	Very low	191 Å²	191	136.9 Å²	136.9	89%	0.893	82%	0.821	S	S	*	*			trans	-177.1	149.7	170.6	-101.6	162	26.3	0	0	107.3
9	C	22.9	Very low	25	Very low	120 Å²	120	138.6 Å²	138.6	81%	0.811	82%	0.819	S	S	*	*			cis	-164	160	-24.2	-122.2	0	0	0	0	107.9
10	A	24.5	Very low	25	Very low	94 Å²	94	139.5 Å²	139.5	78%	0.777	82%	0.819	S	S	*	*			cis	-119.9	-112.8	-2.5	0	0	0	0	0	111.2
11	A	24.2	Very low	24.9	Very low	92 Å²	92	140.1 Å²	140.1	76%	0.76	81%	0.814	S	S	*	*			cis	-149.6	-175.8	-1.3	0	0	0	0	0	111
12	C	23.2	Very low	24.8	Very low	114 Å²	114	136.3 Å²	136.3	77%	0.77	80%	0.797	S	S	*	*			trans	-84.7	131.7	-171.1	-71.2	0	0	0	0	113.6
13	L	24	Very low	24.8	Very low	139 Å²	139	143.1 Å²	143.1	73%	0.728	80%	0.804	S	S	*	*				65.8	129.5	78.7	-63.5	173.1	0	0	0	113
14	R	25.6	Very low	24.8	Very low	214 Å²	214	148.6 Å²	148.6	81%	0.808	81%	0.811	S	S	*	*			cis	-156.6	141.6	12.6	-101.5	153.5	-175.6	-167.5	2.9	112.4
15	K	24.8	Very low	24.8	Very low	200 Å²	200	145.7 Å²	145.7	87%	0.87	81%	0.81	S	S	*	*			trans	33.1	160.7	132.9	-66.7	-171.8	176.3	-174.2	0	122.1
16	P	30.7	Very low	24.8	Very low	129 Å²	129	142.4 Å²	142.4	84%	0.838	81%	0.806	S	S	*	*			cis	-113.9	-178.2	2.6	41.5	-30.1	0	0	0	113
17	G	23.6	Very low	24.9	Very low	78 Å²	78	141 Å²	141	80%	0.804	80%	0.801	S	S	*	*			cis	151.4	57.3	-8.1	0	0	0	0	0	115
18	S	23.7	Very low	24.8	Very low	111 Å²	111	148 Å²	148	78%	0.776	81%	0.808	S	S	*	*			trans	-118.4	116.9	170.3	49.2	0	0	0	0	110.8	L20	S18-L20 PolarHBondContact O-N 2.8Å
19	Q	23.3	Very low	25	Very low	169 Å²	169	146.2 Å²	146.2	79%	0.79	80%	0.803	S	S	*	*			trans	-85.4	102.1	-179.4	-73.9	-179	-31.7	0	0	110.8	H21	Q19-H21 PolarHBondContact O-N 3.48Å
20	L	25.8	Very low	25.3	Very low	155 Å²	155	145.7 Å²	145.7	81%	0.812	80%	0.8	S	S	*	*			trans	-68.1	98.8	164	-113.6	77.5	0	0	0	109.2	S18 L22	S18-L20 PolarHBondContact O-N 2.8Å; L20-L22 VanDerWaalsContact C-N 3.33Å; L20-L22 PolarHBondContact O-N 3.14Å
21	H	23.1	Very low	25.8	Very low	154 Å²	154	145.2 Å²	145.2	71%	0.713	80%	0.797	S	S	*	*			trans	-68.7	90.8	170.1	-89.5	-56.6	0	0	0	110.4	Q19 R23	Q19-H21 PolarHBondContact O-N 3.48Å; H21-R23 PolarHBondContact O-N 3.14Å
22	L	25.6	Very low	26.8	Very low	160 Å²	160	148.1 Å²	148.1	84%	0.838	79%	0.788	S	S	*	*			trans	-65.5	70	164.1	-99.5	148.9	0	0	0	110.5	L20 R24	L20-L22 VanDerWaalsContact C-N 3.33Å; L20-L22 PolarHBondContact O-N 3.14Å; L22-R24 PolarHBondContact O-N 3.44Å
23	R	24.1	Very low	27.5	Very low	228 Å²	228	147.5 Å²	147.5	86%	0.86	78%	0.784	S	S	*	*			trans	-64.6	98.1	166.1	-85.7	-172.7	167.1	-170.3	-2.9	108	H21 A25	H21-R23 PolarHBondContact O-N 3.14Å; R23-A25 PolarHBondContact O-N 3.33Å
24	R	25.7	Very low	28.7	Very low	241 Å²	241	142.9 Å²	142.9	91%	0.909	76%	0.757	S	S	*	*			trans	-55	101.7	160.9	-85.5	-178.2	164.8	178.5	-4.6	108.2	L22 A26	L22-R24 PolarHBondContact O-N 3.44Å; R24-A26 PolarHBondContact O-N 2.85Å
25	A	24.7	Very low	29.6	Very low	99 Å²	99	136.3 Å²	136.3	82%	0.818	74%	0.744	S	S	*	*			trans	-71.9	72.8	171.8	0	0	0	0	0	109.5	R23 A27	R23-A25 PolarHBondContact O-N 3.33Å; A25-A27 VanDerWaalsContact C-N 3.29Å; A25-A27 PolarHBondContact O-N 3.32Å
26	A	25.6	Very low	30.6	Very low	88 Å²	88	128 Å²	128	73%	0.727	71%	0.711	S	S	*	*			trans	-66.2	93.8	166.6	0	0	0	0	0	107.6	R24 R28	R24-A26 PolarHBondContact O-N 2.85Å; A26-R28 VanDerWaalsContact C-N 3.33Å; A26-R28 PolarHBondContact O-N 2.86Å
27	A	26.8	Very low	31	Very low	91 Å²	91	134.3 Å²	134.3	75%	0.752	72%	0.718	S	S	*	*			trans	-63.3	91.4	-178.8	0	0	0	0	0	110.2	A25 I29	A25-A27 VanDerWaalsContact C-N 3.29Å; A25-A27 PolarHBondContact O-N 3.32Å; A27-I29 PolarHBondContact O-N 3.46Å
28	R	23.3	Very low	32.1	Very low	240 Å²	240	136.6 Å²	136.6	91%	0.906	72%	0.717	S	S	*	*			trans	-64.2	100.1	163.6	-78.8	-174.7	171	-175.4	-2.8	107.1	A26 S30	A26-R28 VanDerWaalsContact C-N 3.33Å; A26-R28 PolarHBondContact O-N 2.86Å; R28-S30 VanDerWaalsContact C-N 3.35Å; R28-S30 PolarHBondContact O-N 2.97Å
29	I	30	Very low	33.3	Very low	154 Å²	154	132.8 Å²	132.8	79%	0.79	69%	0.692	S	S	*	*			trans	-60.4	99.9	171.6	-60.6	171.7	0	0	0	107.2	A27 A31	A27-I29 PolarHBondContact O-N 3.46Å; I29-A31 HydrophobicContact CG2-CB 4.35Å; I29-A31 PolarHBondContact O-N 2.93Å
30	S	28.7	Very low	34.8	Very low	109 Å²	109	127.7 Å²	127.7	76%	0.762	68%	0.675	S	S	*	*			trans	-76	79.8	169	-174.1	0	0	0	0	107.1	R28 R32	R28-S30 VanDerWaalsContact C-N 3.35Å; R28-S30 PolarHBondContact O-N 2.97Å; S30-R32 PolarHBondContact O-N 2.89Å
31	A	35.2	Very low	36.5	Very low	85 Å²	85	124.9 Å²	124.9	70%	0.702	67%	0.669	S	S	*	*			trans	-62.7	100.1	-179	0	0	0	0	0	109.6	I29 C33	I29-A31 HydrophobicContact CG2-CB 4.35Å; I29-A31 PolarHBondContact O-N 2.93Å; A31-C33 PolarHBondContact O-N 3.1Å
32	R	45.7	Very low	38.9	Very low	152 Å²	152	121 Å²	121	57%	0.574	66%	0.655	S	S	*	*			trans	-62.5	126.4	167.6	-77.5	-179.7	166.5	177.9	-5.8	108.2	S30 Y34	S30-R32 PolarHBondContact O-N 2.89Å; R32-Y34 PolarHBondContact O-N 3.44Å
33	C	38.5	Very low	41.7	Very low	101 Å²	101	113.9 Å²	113.9	68%	0.682	62%	0.618	S	S	*	*			trans	-77.1	94.2	-177.4	-163.8	0	0	0	0	109.7	A31 S35	A31-C33 PolarHBondContact O-N 3.1Å; C33-S35 PolarHBondContact O-N 2.92Å; C33-S35 PolarHBondContact SG-O 3.1Å
34	Y	49	Very low	45	Very low	42 Å²	42	103.5 Å²	103.5	17%	0.165	58%	0.579	C	S	.	*			trans	-66.2	-9.9	172.2	-75.7	-79.8	0	0	0	113.3	R32 S36 Y44 R177 D248	R32-Y34 PolarHBondContact O-N 3.44Å; Y34-S36 PolarHBondContact O-N 2.84Å; Y34-Y44 PolarHBondContact O-OH 3.17Å; Y34-Y44 VanDerWaalsContact O-OH 3.13Å; Y34-R177 HydrophobicContact CD2-CB 3.82Å; Y34-R177 HydrophobicContact CE2-CB 4.08Å; Y34-R177 HydrophobicContact CE2-CG 4.39Å; Y34-R177 HydrophobicContact CG-CB 4.24Å; Y34-R177 PolarHBondContact OH-NH1 3.19Å; Y34-D248 PolarHBondContact OH-O 3.38Å
35	S	44	Very low	48.2	Very low	76 Å²	76	92.3 Å²	92.3	53%	0.531	54%	0.537	S	S	.	.			trans	-81	98.6	165.6	-177.6	0	0	0	0	109.8	C33	C33-S35 PolarHBondContact O-N 2.92Å; C33-S35 PolarHBondContact SG-O 3.1Å
36	S	45	Very low	51.4	Low	27 Å²	27	90.1 Å²	90.1	19%	0.189	51%	0.51	C	S	.	.			trans	-76.8	146.3	163.4	71.4	0	0	0	0	109.5	Y34 T38 A39 N272	Y34-S36 PolarHBondContact O-N 2.84Å; S36-T38 PolarHBondContact O-N 3.02Å; S36-A39 WeakPolarHBondContact O-CB 3.47Å; S36-A39 PolarHBondContact O-N 2.91Å; S36-A39 WeakPolarHBondContact OG-CB 3.4Å; S36-A39 PolarHBondContact OG-N 2.96Å; S36-N272 PolarHBondContact OG-OD1 3.22Å
37	R	40	Very low	54.7	Low	260 Å²	260	91.4 Å²	91.4	98%	0.981	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-3.5	-178.3	-72.3	-177.8	174.1	176.4	-2.5	114.2
38	T	45.5	Very low	58	Low	126 Å²	126	87.6 Å²	87.6	77%	0.773	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.1	18.4	-177.8	53.3	0	0	0	0	112	S36 S40	S36-T38 PolarHBondContact O-N 3.02Å; T38-S40 PolarHBondContact O-N 3.09Å
39	A	49.5	Very low	61.5	Low	32 Å²	32	79.2 Å²	79.2	26%	0.264	44%	0.444	S	S	.	.			trans	-61.5	106.5	-178.1	0	0	0	0	0	111.3	S36 Y44	S36-A39 WeakPolarHBondContact O-CB 3.47Å; S36-A39 PolarHBondContact O-N 2.91Å; S36-A39 WeakPolarHBondContact OG-CB 3.4Å; S36-A39 PolarHBondContact OG-N 2.96Å; A39-Y44 HydrophobicContact CB-CE2 3.99Å
40	S	55.1	Low	64.7	Low	62 Å²	62	72 Å²	72	43%	0.434	41%	0.408	S	S	.	.			trans	-69.5	162.2	176.1	75.8	0	0	0	0	111.6	T38 V42 D43	T38-S40 PolarHBondContact O-N 3.09Å; S40-V42 PolarHBondContact O-N 3.19Å; S40-V42 VanDerWaalsContact O-N 3.09Å; S40-V42 WeakPolarHBondContact OG-CB 3.49Å; S40-V42 PolarHBondContact OG-N 3.3Å; S40-D43 PolarHBondContact O-N 2.86Å
41	S	62.1	Low	68	Low	96 Å²	96	70.1 Å²	70.1	67%	0.671	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-60.1	-17.5	174.8	49	0	0	0	0	114.1	D43	S41-D43 VanDerWaalsContact C-N 3.29Å; S41-D43 PolarHBondContact O-N 3.37Å
42	V	72.4	Confident	71	Confident	71 Å²	71	66.1 Å²	66.1	43%	0.43	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-68.3	-28.5	178.4	-170.3	0	0	0	0	112	S40 Y44 R171 L406	S40-V42 PolarHBondContact O-N 3.19Å; S40-V42 VanDerWaalsContact O-N 3.09Å; S40-V42 WeakPolarHBondContact OG-CB 3.49Å; S40-V42 PolarHBondContact OG-N 3.3Å; V42-Y44 PolarHBondContact O-N 3.38Å; V42-R171 VanDerWaalsContact O-CD 3.25Å; V42-R171 WeakPolarHBondContact O-CD 3.46Å; V42-R171 PolarHBondContact O-NE 3.47Å; V42-L406 HydrophobicContact CG1-CD2 4.02Å
43	D	84.8	Confident	73.5	Confident	12 Å²	12	63.2 Å²	63.2	6%	0.064	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-80.8	-3.2	-167.9	-136.2	23.8	0	0	0	113.5	S40 S41 K174 L273	S40-D43 PolarHBondContact O-N 2.86Å; S41-D43 VanDerWaalsContact C-N 3.29Å; S41-D43 PolarHBondContact O-N 3.37Å; D43-K174 VanDerWaalsContact CG-NZ 3.3Å; D43-K174 WeakPolarHBondContact O-CE 3.49Å; D43-K174 WeakPolarHBondContact OD1-CE 3.37Å; D43-K174 IonicContact OD1-NZ 2.71Å; D43-K174 WeakPolarHBondContact OD2-CE 3.28Å; D43-K174 IonicContact OD2-NZ 3.13Å; D43-K174 PolarHBondContact OD2-NZ 3.45Å; D43-L273 VanDerWaalsContact OD1-CB 3.31Å; D43-L273 WeakPolarHBondContact OD1-CB 3.3Å; D43-L273 PolarHBondContact OD1-N 2.83Å
44	Y	93.9	Very high	76.4	Confident	9 Å²	9	58.9 Å²	58.9	4%	0.035	32%	0.323	C	S	.	.	S	Bend	trans	-135.1	158	-174.8	-63.5	-63.6	0	0	0	111	Y34 A39 V42 R171 K174 T175 A178 L180	Y34-Y44 PolarHBondContact O-OH 3.17Å; Y34-Y44 VanDerWaalsContact O-OH 3.13Å; A39-Y44 HydrophobicContact CB-CE2 3.99Å; V42-Y44 PolarHBondContact O-N 3.38Å; Y44-R171 PolarHBondContact O-NE 3.17Å; Y44-R171 VanDerWaalsContact O-NE 3.13Å; Y44-R171 PolarHBondContact O-NH2 2.99Å; Y44-K174 HydrophobicContact CD1-CB 4.08Å; Y44-K174 HydrophobicContact CE1-CB 3.97Å; Y44-T175 WeakPolarHBondContact CA-OG1 3.48Å; Y44-T175 WeakPolarHBondContact CB-OG1 3.3Å; Y44-A178 HydrophobicContact CE1-CB 3.77Å; Y44-L180 HydrophobicContact CD1-CD1 4.09Å; Y44-L180 HydrophobicContact CD2-CD1 4.2Å; Y44-L180 HydrophobicContact CE1-CD1 3.94Å; Y44-L180 HydrophobicContact CE2-CD1 4.05Å; Y44-L180 HydrophobicContact CG-CD1 4.21Å
45	L	92.6	Very high	78.7	Confident	6 Å²	6	57.3 Å²	57.3	3%	0.031	32%	0.317	C	S	.	.	S	Bend	trans	-73.6	-48.9	171.6	-59.1	-175.9	0	0	0	111.4	R171 F172 T175 E396 D400	L45-R171 HydrophobicContact CD2-CB 3.54Å; L45-R171 HydrophobicContact CG-CB 4.05Å; L45-F172 HydrophobicContact CD1-CB 3.75Å; L45-F172 HydrophobicContact CD1-CD2 3.72Å; L45-F172 HydrophobicContact CD1-CG 4.16Å; L45-F172 HydrophobicContact CG-CB 4.48Å; L45-T175 PolarHBondContact N-OG1 3.01Å; L45-E396 HydrophobicContact CD1-CB 3.92Å; L45-D400 HydrophobicContact CD2-CB 3.68Å; L45-D400 WeakPolarHBondContact CD2-OD2 3.41Å
46	H	92.3	Very high	81.3	Confident	53 Å²	53	54.7 Å²	54.7	25%	0.245	30%	0.296	C	S	.	.			trans	-157.4	173.9	179.4	55.1	-88.7	0	0	0	109.3	L181 E396	H46-L181 WeakPolarHBondContact NE2-CD1 3.45Å; H46-E396 IonicContact CE1-OE2 3.59Å; H46-E396 PolarHBondContact CE1-OE2 2.94Å; H46-E396 IonicContact ND1-OE2 2.7Å; H46-E396 IonicContact NE2-OE1 3.36Å; H46-E396 PolarHBondContact NE2-OE1 3.23Å; H46-E396 IonicContact NE2-OE2 3.42Å; H46-E396 PolarHBondContact NE2-OE2 3.1Å
47	Q	94.6	Very high	83.8	Confident	115 Å²	115	61.8 Å²	61.8	54%	0.537	32%	0.324	S	S	.	.			trans	-133.6	93.4	-177.4	-55.8	-174.5	11.2	0	0	109.5	L180	Q47-L180 HydrophobicContact CB-CD2 4.43Å; Q47-L180 HydrophobicContact CG-CD1 4.33Å
48	S	96.3	Very high	86.6	Confident	12 Å²	12	50 Å²	50	8%	0.084	28%	0.281	C	S	.	.			trans	-71.4	140.7	178.7	-162.8	0	0	0	0	111.6	V50 L180 E182	S48-V50 PolarHBondContact O-N 3.33Å; S48-V50 PolarHBondContact OG-N 3.22Å; S48-V50 PolarHBondContact OG-O 2.96Å; S48-L180 WeakPolarHBondContact CB-O 3.19Å; S48-L180 PolarHBondContact N-O 2.7Å; S48-E182 WeakPolarHBondContact CB-OE1 3.33Å; S48-E182 PolarHBondContact OG-OE1 3.11Å
49	V	96.4	Very high	89.1	Confident	63 Å²	63	44.5 Å²	44.5	38%	0.382	25%	0.247	S	C	.	.	S	Bend	trans	-77.4	-10.7	171.3	-58.7	0	0	0	0	112.6	K199 R203	V49-K199 HydrophobicContact CG2-CB 3.79Å; V49-R203 WeakPolarHBondContact O-CB 3.34Å; V49-R203 WeakPolarHBondContact O-CD 3.38Å
50	V	97.7	Very high	91.4	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.024	25%	0.245	C	C	.	.	S	Bend	trans	-106.2	117.9	173.8	-172.2	0	0	0	0	108	S48 S52 H54 Y55 P183 K199 I202 R203	S48-V50 PolarHBondContact O-N 3.33Å; S48-V50 PolarHBondContact OG-N 3.22Å; S48-V50 PolarHBondContact OG-O 2.96Å; V50-S52 PolarHBondContact O-N 3.11Å; V50-H54 HydrophobicContact CG1-CB 3.81Å; V50-Y55 HydrophobicContact CG1-CE2 4.46Å; V50-P183 HydrophobicContact CB-CG 4.2Å; V50-P183 HydrophobicContact CG1-CG 3.83Å; V50-K199 HydrophobicContact CG2-CB 3.93Å; V50-K199 HydrophobicContact CG2-CG 4.21Å; V50-K199 WeakPolarHBondContact CG2-O 3.46Å; V50-I202 HydrophobicContact CG1-CG2 4.31Å; V50-I202 HydrophobicContact CG2-CG2 3.66Å; V50-R203 HydrophobicContact CG2-CB 4.29Å
51	P	98	Very high	93.5	Very high	69 Å²	69	45.5 Å²	45.5	45%	0.448	24%	0.239	S	C	.	.			trans	-57.9	137	-178.5	-25.4	33.5	0	0	0	112.1	M53 H54 G179	P51-M53 PolarHBondContact O-N 3.35Å; P51-H54 HydrophobicContact CB-CB 4.32Å; P51-H54 WeakPolarHBondContact O-CB 3.49Å; P51-H54 PolarHBondContact O-N 3.32Å; P51-G179 WeakPolarHBondContact CA-O 3.4Å
52	S	97.8	Very high	95.2	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.007	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49	-39.8	-172.3	-44.1	0	0	0	0	114.1	V50 G179 L181 P183 M224	V50-S52 PolarHBondContact O-N 3.11Å; S52-G179 PolarHBondContact N-O 2.88Å; S52-G179 WeakPolarHBondContact OG-CA 3.21Å; S52-G179 PolarHBondContact OG-O 2.78Å; S52-L181 VanDerWaalsContact CA-O 3.31Å; S52-L181 WeakPolarHBondContact CA-O 3.46Å; S52-L181 VanDerWaalsContact CB-O 3.24Å; S52-L181 WeakPolarHBondContact CB-O 3.49Å; S52-L181 WeakPolarHBondContact OG-CB 3.28Å; S52-L181 PolarHBondContact OG-N 3.47Å; S52-L181 VanDerWaalsContact OG-N 3.13Å; S52-L181 PolarHBondContact OG-O 2.78Å; S52-P183 WeakPolarHBondContact O-CB 3.34Å; S52-M224 VanDerWaalsContact O-SD 3.38Å
53	M	98.1	Very high	96.5	Very high	91 Å²	91	39.8 Å²	39.8	45%	0.448	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	11.8	-177	-58.3	-62.2	171.4	0	0	114	P51 Y55 Q56 L176 M224	P51-M53 PolarHBondContact O-N 3.35Å; M53-Y55 VanDerWaalsContact C-N 3.29Å; M53-Y55 PolarHBondContact O-N 2.91Å; M53-Q56 HydrophobicContact CB-CG 3.93Å; M53-Q56 HydrophobicContact CG-CG 4.47Å; M53-Q56 WeakPolarHBondContact O-CB 3.3Å; M53-Q56 WeakPolarHBondContact O-CG 3.32Å; M53-Q56 PolarHBondContact O-N 2.67Å; M53-Q56 VanDerWaalsContact O-N 3.09Å; M53-Q56 HydrophobicContact SD-CG 3.73Å; M53-L176 HydrophobicContact CE-CD1 4.27Å; M53-M224 HydrophobicContact CE-CB 4.01Å; M53-M224 HydrophobicContact SD-CB 3.86Å
54	H	98.4	Very high	97.1	Very high	9 Å²	9	40.5 Å²	40.5	4%	0.042	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-28.4	-170	174.3	91.7	0	0	0	114.9	V50 P51 I202 V205 S207 S210	V50-H54 HydrophobicContact CG1-CB 3.81Å; P51-H54 HydrophobicContact CB-CB 4.32Å; P51-H54 WeakPolarHBondContact O-CB 3.49Å; P51-H54 PolarHBondContact O-N 3.32Å; H54-I202 PolarHBondContact CE1-O 2.81Å; H54-I202 VanDerWaalsContact CE1-O 3.31Å; H54-I202 PolarHBondContact NE2-O 3.14Å; H54-I202 VanDerWaalsContact NE2-O 3.12Å; H54-V205 PolarHBondContact CE1-O 3.04Å; H54-S207 WeakPolarHBondContact O-CA 3.49Å; H54-S207 WeakPolarHBondContact O-CB 3.24Å; H54-S207 PolarHBondContact O-OG 2.85Å; H54-S210 VanDerWaalsContact CD2-CB 3.46Å; H54-S210 WeakPolarHBondContact CD2-CB 3.45Å; H54-S210 WeakPolarHBondContact NE2-CB 3.45Å; H54-S210 PolarHBondContact O-OG 2.86Å
55	Y	98.5	Very high	97.4	Very high	9 Å²	9	40.1 Å²	40.1	4%	0.035	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-15.2	177.5	-57.2	-69	0	0	0	114	V50 M53 K57 S58 L59 P183 V185 I202 S210 A214 P221	V50-Y55 HydrophobicContact CG1-CE2 4.46Å; M53-Y55 VanDerWaalsContact C-N 3.29Å; M53-Y55 PolarHBondContact O-N 2.91Å; Y55-K57 PolarHBondContact O-N 3.38Å; Y55-S58 PolarHBondContact O-N 3.19Å; Y55-S58 PolarHBondContact O-OG 2.76Å; Y55-L59 PolarHBondContact O-N 3.25Å; Y55-P183 HydrophobicContact CD2-CB 3.69Å; Y55-P183 HydrophobicContact CD2-CG 4.18Å; Y55-P183 HydrophobicContact CE2-CB 3.71Å; Y55-P183 HydrophobicContact CE2-CG 3.93Å; Y55-V185 HydrophobicContact CD2-CG2 4.36Å; Y55-V185 HydrophobicContact CE2-CG2 3.88Å; Y55-I202 HydrophobicContact CE1-CG1 3.88Å; Y55-S210 WeakPolarHBondContact CD1-OG 3.31Å; Y55-A214 HydrophobicContact CE1-CB 4.09Å; Y55-P221 VanDerWaalsContact CB-CB 3.49Å; Y55-P221 HydrophobicContact CD1-CB 4.08Å; Y55-P221 HydrophobicContact CD1-CG 3.57Å; Y55-P221 HydrophobicContact CD2-CB 3.57Å; Y55-P221 HydrophobicContact CD2-CG 3.7Å; Y55-P221 HydrophobicContact CE1-CG 3.88Å; Y55-P221 HydrophobicContact CE2-CB 4.27Å; Y55-P221 HydrophobicContact CE2-CG 4Å; Y55-P221 HydrophobicContact CG-CB 3.44Å; Y55-P221 VanDerWaalsContact CG-CB 3.44Å; Y55-P221 HydrophobicContact CG-CG 3.47Å; Y55-P221 VanDerWaalsContact CG-CG 3.47Å
56	Q	98.4	Very high	97.7	Very high	21 Å²	21	45.4 Å²	45.4	10%	0.098	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-10.6	-164	-59.1	-62	-41.2	0	0	115.4	M53 L222 K505	M53-Q56 HydrophobicContact CB-CG 3.93Å; M53-Q56 HydrophobicContact CG-CG 4.47Å; M53-Q56 WeakPolarHBondContact O-CB 3.3Å; M53-Q56 WeakPolarHBondContact O-CG 3.32Å; M53-Q56 PolarHBondContact O-N 2.67Å; M53-Q56 VanDerWaalsContact O-N 3.09Å; M53-Q56 HydrophobicContact SD-CG 3.73Å; Q56-L222 PolarHBondContact NE2-O 2.87Å; Q56-K505 PolarHBondContact O-NZ 2.72Å
57	K	97.8	Very high	98	Very high	177 Å²	177	43.5 Å²	43.5	77%	0.77	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-14.4	174.7	-66.5	-176.5	-177.9	176.4	0	114	Y55 S207	Y55-K57 PolarHBondContact O-N 3.38Å; K57-S207 WeakPolarHBondContact CB-O 3.46Å
58	S	98.1	Very high	98.2	Very high	11 Å²	11	42.8 Å²	42.8	8%	0.077	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.3	2.4	-177.7	49.2	0	0	0	0	114.4	Y55 S207 S208 S210 W211	Y55-S58 PolarHBondContact O-N 3.19Å; Y55-S58 PolarHBondContact O-OG 2.76Å; S58-S207 VanDerWaalsContact CB-O 3.24Å; S58-S207 WeakPolarHBondContact CB-O 3.35Å; S58-S207 PolarHBondContact N-O 2.85Å; S58-S207 PolarHBondContact OG-O 3.39Å; S58-S208 WeakPolarHBondContact CB-O 3.41Å; S58-S210 PolarHBondContact OG-OG 3.41Å; S58-W211 VanDerWaalsContact O-CB 3.3Å; S58-W211 WeakPolarHBondContact O-CB 3.37Å; S58-W211 WeakPolarHBondContact OG-CB 3.22Å; S58-W211 PolarHBondContact OG-N 2.71Å
59	L	98.6	Very high	98.3	Very high	12 Å²	12	43.8 Å²	43.8	6%	0.063	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-52.4	136.4	171.4	-67.5	177	0	0	0	111.3	Y55 P221 D223 K505	Y55-L59 PolarHBondContact O-N 3.25Å; L59-P221 HydrophobicContact CD2-CB 4.02Å; L59-P221 VanDerWaalsContact CD2-O 3.23Å; L59-P221 WeakPolarHBondContact CD2-O 3.46Å; L59-D223 HydrophobicContact CD1-CB 3.72Å; L59-K505 HydrophobicContact CB-CB 4.01Å; L59-K505 HydrophobicContact CB-CD 4.2Å; L59-K505 HydrophobicContact CD1-CD 4.29Å
60	P	98.4	Very high	98.4	Very high	33 Å²	33	40.8 Å²	40.8	21%	0.214	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-64.9	149.7	178.9	28.1	-35	0	0	0	110.2	W211 A503 F504 K505	P60-W211 HydrophobicContact CB-CZ2 4.47Å; P60-W211 HydrophobicContact CG-CZ2 3.84Å; P60-A503 WeakPolarHBondContact CD-O 3.24Å; P60-A503 WeakPolarHBondContact CG-O 3.4Å; P60-F504 HydrophobicContact CB-CD1 3.95Å; P60-F504 HydrophobicContact CB-CE1 4.27Å; P60-F504 HydrophobicContact CG-CD1 3.73Å; P60-F504 HydrophobicContact CG-CE1 4.12Å; P60-F504 CarbonylContact O-C 3.6Å; P60-F504 VanDerWaalsContact O-CA 3.25Å; P60-F504 WeakPolarHBondContact O-CA 3.17Å; P60-F504 WeakPolarHBondContact O-CB 3.22Å; P60-K505 PolarHBondContact O-N 3.01Å
61	R	98.4	Very high	98.5	Very high	82 Å²	82	40.8 Å²	40.8	31%	0.309	20%	0.201	S	C	.	.	B	Isolated β-bridge	trans	-73	137.5	177.1	-55.5	-174.7	66.2	-103.5	-16.4	109.8	P63 D113 K117 F504	R61-P63 WeakPolarHBondContact O-CD 3.4Å; R61-D113 IonicContact CZ-OD1 2.78Å; R61-D113 IonicContact CZ-OD2 2.71Å; R61-D113 IonicContact NH1-OD1 3.86Å; R61-D113 IonicContact NH1-OD2 3.21Å; R61-D113 PolarHBondContact NH1-OD2 2.82Å; R61-D113 PolarHBondContact NH2-O 3.15Å; R61-D113 VanDerWaalsContact NH2-O 3.13Å; R61-D113 IonicContact NH2-OD1 3.62Å; R61-D113 PolarHBondContact NH2-OD1 3.07Å; R61-D113 IonicContact NH2-OD2 3.7Å; R61-D113 PolarHBondContact NH2-OD2 2.96Å; R61-D113 VanDerWaalsContact NH2-OD2 3.13Å; R61-K117 PolarHBondContact NE-O 2.97Å; R61-F504 VanDerWaalsContact O-CD1 3.3Å; R61-F504 WeakPolarHBondContact O-CD1 3.23Å
62	L	98.6	Very high	98.5	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.021	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-60.3	121.5	174.8	-174.2	74.2	0	0	0	108.8	Y121 I122 T501 F504	L62-Y121 HydrophobicContact CD2-CD1 4.11Å; L62-Y121 HydrophobicContact CD2-CE1 3.7Å; L62-Y121 HydrophobicContact CG-CE1 4.13Å; L62-I122 HydrophobicContact CD2-CB 4.43Å; L62-I122 HydrophobicContact CD2-CG2 3.48Å; L62-I122 VanDerWaalsContact CD2-CG2 3.48Å; L62-T501 HydrophobicContact CD1-CG2 4.21Å; L62-F504 HydrophobicContact CB-CB 3.84Å; L62-F504 HydrophobicContact CB-CG 4.26Å; L62-F504 HydrophobicContact CD1-CB 3.88Å; L62-F504 HydrophobicContact CD1-CD2 3.51Å; L62-F504 HydrophobicContact CD1-CE2 4.2Å; L62-F504 HydrophobicContact CD1-CG 3.79Å
63	P	98.3	Very high	98.6	Very high	42 Å²	42	44.9 Å²	44.9	27%	0.273	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-69.9	141.1	-179.4	28.4	-34.7	0	0	0	110.9	R61 Y121 F504 M558	R61-P63 WeakPolarHBondContact O-CD 3.4Å; P63-Y121 WeakPolarHBondContact O-CE1 3.17Å; P63-F504 HydrophobicContact CG-CE1 4.47Å; P63-F504 HydrophobicContact CG-CZ 4.41Å; P63-M558 VanDerWaalsContact CG-O 3.32Å; P63-M558 WeakPolarHBondContact CG-O 3.37Å
64	V	98.7	Very high	98.6	Very high	27 Å²	27	40.5 Å²	40.5	16%	0.164	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-78.7	122.8	158.6	-172.3	0	0	0	0	106.6	L109 V110 D113 Y121	V64-L109 HydrophobicContact CG1-CD2 4.15Å; V64-V110 HydrophobicContact CB-CG2 4.19Å; V64-V110 HydrophobicContact CG1-CG2 4.05Å; V64-V110 HydrophobicContact CG2-CG2 4.43Å; V64-D113 HydrophobicContact CG2-CB 4.14Å; V64-Y121 HydrophobicContact CG2-CD1 3.71Å; V64-Y121 HydrophobicContact CG2-CE1 4.2Å; V64-Y121 HydrophobicContact CG2-CG 4.08Å
65	P	98.7	Very high	98.6	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.013	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-61	155.6	174.1	-19.9	30.9	0	0	0	111.4	T70 H106 G559 H565	P65-T70 WeakPolarHBondContact CB-OG1 3.41Å; P65-H106 PolarHBondContact O-CE1 2.92Å; P65-G559 WeakPolarHBondContact CG-O 3.34Å; P65-H565 HydrophobicContact CG-CB 4.16Å; P65-H565 PolarHBondContact O-CE1 2.68Å; P65-H565 PolarHBondContact O-ND1 2.35Å
66	K	98.8	Very high	98.6	Very high	117 Å²	117	42 Å²	42	51%	0.509	20%	0.2	S	C	.	.	P	Polyproline II helix	trans	-62.7	143.5	166.9	-59.3	-174.6	-175.3	170	0	110	E68 D69 T70	K66-E68 VanDerWaalsContact C-N 3.3Å; K66-E68 HydrophobicContact CB-CG 3.92Å; K66-E68 HydrophobicContact CD-CG 3.84Å; K66-E68 WeakPolarHBondContact CD-OE1 3.33Å; K66-E68 WeakPolarHBondContact CE-OE1 3.39Å; K66-E68 IonicContact NZ-OE1 2.74Å; K66-E68 PolarHBondContact NZ-OE1 3.02Å; K66-E68 PolarHBondContact O-N 3.23Å; K66-D69 HydrophobicContact CB-CB 4.38Å; K66-D69 PolarHBondContact O-N 3.22Å; K66-T70 PolarHBondContact O-N 3.38Å; K66-T70 PolarHBondContact O-OG1 3.34Å
67	L	98.8	Very high	98.6	Very high	13 Å²	13	41.6 Å²	41.6	7%	0.068	20%	0.199	C	C	.	.	H	α-helix	trans	-58.4	-40.7	175.4	-172.2	62.7	0	0	0	112.6	D69 T70 I71 F97 Q98 G102 K103 H106 L569	L67-D69 VanDerWaalsContact C-N 3.34Å; L67-D69 PolarHBondContact O-N 3.4Å; L67-T70 PolarHBondContact O-N 3.14Å; L67-I71 HydrophobicContact CD1-CG1 4.24Å; L67-I71 HydrophobicContact CG-CG1 4.39Å; L67-I71 WeakPolarHBondContact O-CG1 3.46Å; L67-I71 PolarHBondContact O-N 3.4Å; L67-F97 HydrophobicContact CD1-CE1 4.17Å; L67-Q98 HydrophobicContact CD2-CG 4.25Å; L67-Q98 HydrophobicContact CG-CG 4.23Å; L67-G102 VanDerWaalsContact CD2-C 3.46Å; L67-G102 WeakPolarHBondContact CD2-O 3.4Å; L67-K103 HydrophobicContact CD2-CB 4.38Å; L67-H106 HydrophobicContact CB-CB 4.38Å; L67-H106 HydrophobicContact CD2-CB 4.21Å; L67-L569 HydrophobicContact CD1-CD1 3.99Å
68	E	98.7	Very high	98.7	Very high	99 Å²	99	33.1 Å²	33.1	46%	0.463	16%	0.163	S	C	.	.	H	α-helix	trans	-58.6	-41.9	177.2	69	-168.2	-167.5	0	0	112.9	K66 R72	K66-E68 VanDerWaalsContact C-N 3.3Å; K66-E68 HydrophobicContact CB-CG 3.92Å; K66-E68 HydrophobicContact CD-CG 3.84Å; K66-E68 WeakPolarHBondContact CD-OE1 3.33Å; K66-E68 WeakPolarHBondContact CE-OE1 3.39Å; K66-E68 IonicContact NZ-OE1 2.74Å; K66-E68 PolarHBondContact NZ-OE1 3.02Å; K66-E68 PolarHBondContact O-N 3.23Å; E68-R72 WeakPolarHBondContact O-CB 3.5Å; E68-R72 PolarHBondContact O-N 2.89Å
69	D	98.8	Very high	98.7	Very high	34 Å²	34	37.6 Å²	37.6	18%	0.182	18%	0.181	C	C	.	.	H	α-helix	trans	-73.5	-37.2	178.1	-78.9	-54.1	0	0	0	112	K66 L67 R72 R73	K66-D69 HydrophobicContact CB-CB 4.38Å; K66-D69 PolarHBondContact O-N 3.22Å; L67-D69 VanDerWaalsContact C-N 3.34Å; L67-D69 PolarHBondContact O-N 3.4Å; D69-R72 IonicContact OD1-CZ 3.83Å; D69-R72 IonicContact OD1-NE 2.66Å; D69-R72 PolarHBondContact OD1-NE 3.41Å; D69-R72 IonicContact OD1-NH2 3.39Å; D69-R72 PolarHBondContact OD1-NH2 2.92Å; D69-R73 VanDerWaalsContact O-CB 3.26Å; D69-R73 WeakPolarHBondContact O-CB 3.35Å; D69-R73 WeakPolarHBondContact O-CD 3.07Å; D69-R73 WeakPolarHBondContact O-CG 3.34Å; D69-R73 PolarHBondContact O-N 3.01Å
70	T	98.9	Very high	98.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62.2	-45.1	174.4	-75.2	0	0	0	0	111.8	P65 K66 L67 R73 Y74 F562 H565 L566	P65-T70 WeakPolarHBondContact CB-OG1 3.41Å; K66-T70 PolarHBondContact O-N 3.38Å; K66-T70 PolarHBondContact O-OG1 3.34Å; L67-T70 PolarHBondContact O-N 3.14Å; T70-R73 PolarHBondContact O-N 2.91Å; T70-Y74 WeakPolarHBondContact O-CB 3.43Å; T70-Y74 PolarHBondContact O-N 3.04Å; T70-F562 HydrophobicContact CG2-CB 3.94Å; T70-F562 WeakPolarHBondContact O-CB 3.45Å; T70-H565 HydrophobicContact CG2-CB 4.2Å; T70-H565 PolarHBondContact OG1-ND1 2.78Å; T70-L566 HydrophobicContact CG2-CD2 3.62Å; T70-L566 HydrophobicContact CG2-CG 3.74Å
71	I	98.9	Very high	98.7	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.021	18%	0.179	C	C	.	.	H	α-helix	trans	-68.8	-43.7	178.4	-66.8	-65.6	0	0	0	111.1	L67 R73 Y74 L75 A94 F97 Q98 L566 L583	L67-I71 HydrophobicContact CD1-CG1 4.24Å; L67-I71 HydrophobicContact CG-CG1 4.39Å; L67-I71 WeakPolarHBondContact O-CG1 3.46Å; L67-I71 PolarHBondContact O-N 3.4Å; I71-R73 VanDerWaalsContact C-N 3.32Å; I71-R73 PolarHBondContact O-N 2.97Å; I71-Y74 PolarHBondContact O-N 3.29Å; I71-L75 HydrophobicContact CG2-CD1 4.21Å; I71-L75 WeakPolarHBondContact O-CG 3.21Å; I71-L75 PolarHBondContact O-N 2.83Å; I71-A94 HydrophobicContact CD1-CB 4.29Å; I71-A94 HydrophobicContact CG2-CB 3.9Å; I71-F97 HydrophobicContact CD1-CD1 4.03Å; I71-Q98 HydrophobicContact CG1-CB 4.2Å; I71-Q98 HydrophobicContact CG1-CG 4.4Å; I71-L566 HydrophobicContact CD1-CD2 4.42Å; I71-L583 HydrophobicContact CD1-CD2 4.14Å
72	R	98.8	Very high	98.7	Very high	125 Å²	125	34.7 Å²	34.7	47%	0.472	17%	0.169	S	C	.	.	H	α-helix	trans	-57.6	-41.3	173.1	-176.8	-176	60.2	68	-1.1	112.7	E68 D69 A76	E68-R72 WeakPolarHBondContact O-CB 3.5Å; E68-R72 PolarHBondContact O-N 2.89Å; D69-R72 IonicContact OD1-CZ 3.83Å; D69-R72 IonicContact OD1-NE 2.66Å; D69-R72 PolarHBondContact OD1-NE 3.41Å; D69-R72 IonicContact OD1-NH2 3.39Å; D69-R72 PolarHBondContact OD1-NH2 2.92Å; R72-A76 WeakPolarHBondContact O-CB 3.18Å; R72-A76 PolarHBondContact O-N 3.34Å; R72-A76 VanDerWaalsContact O-N 3.08Å
73	R	98.9	Very high	98.7	Very high	30 Å²	30	38.5 Å²	38.5	11%	0.113	19%	0.19	C	C	.	.	H	α-helix	trans	-71.6	-41.5	177.4	-74.6	168.4	176.1	134.4	4.7	112.5	D69 T70 I71 A76 A77 E555 Q560 F562	D69-R73 VanDerWaalsContact O-CB 3.26Å; D69-R73 WeakPolarHBondContact O-CB 3.35Å; D69-R73 WeakPolarHBondContact O-CD 3.07Å; D69-R73 WeakPolarHBondContact O-CG 3.34Å; D69-R73 PolarHBondContact O-N 3.01Å; T70-R73 PolarHBondContact O-N 2.91Å; I71-R73 VanDerWaalsContact C-N 3.32Å; I71-R73 PolarHBondContact O-N 2.97Å; R73-A76 PolarHBondContact O-N 2.95Å; R73-A77 PolarHBondContact O-N 3.2Å; R73-E555 IonicContact CZ-OE2 3.77Å; R73-E555 IonicContact NE-OE2 3.29Å; R73-E555 PolarHBondContact NE-OE2 3.12Å; R73-E555 IonicContact NH2-OE2 3.52Å; R73-E555 PolarHBondContact NH2-OE2 3.37Å; R73-Q560 WeakPolarHBondContact CD-O 3.2Å; R73-Q560 PolarHBondContact NE-O 3.33Å; R73-Q560 VanDerWaalsContact NE-O 3.07Å; R73-Q560 PolarHBondContact NH1-O 3.35Å; R73-F562 HydrophobicContact CB-CB 4.17Å; R73-F562 HydrophobicContact CB-CD1 3.93Å; R73-F562 HydrophobicContact CB-CG 4.45Å
74	Y	98.9	Very high	98.7	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-56.5	-51.8	173.5	168.3	-105.8	0	0	0	111	T70 I71 A76 A77 Q78 T90 A94 F562 L566 L583 Y589 I592	T70-Y74 WeakPolarHBondContact O-CB 3.43Å; T70-Y74 PolarHBondContact O-N 3.04Å; I71-Y74 PolarHBondContact O-N 3.29Å; Y74-A76 PolarHBondContact O-N 3.5Å; Y74-A77 PolarHBondContact O-N 3.32Å; Y74-A77 VanDerWaalsContact O-N 3.12Å; Y74-Q78 HydrophobicContact CD2-CG 4.34Å; Y74-Q78 HydrophobicContact CE1-CG 4.18Å; Y74-Q78 HydrophobicContact CE2-CG 3.98Å; Y74-Q78 VanDerWaalsContact CE2-NE2 3.35Å; Y74-Q78 VanDerWaalsContact CZ-NE2 3.35Å; Y74-Q78 WeakPolarHBondContact O-CG 3.44Å; Y74-Q78 PolarHBondContact O-N 2.74Å; Y74-Q78 PolarHBondContact OH-NE2 2.95Å; Y74-T90 HydrophobicContact CE1-CG2 3.66Å; Y74-A94 HydrophobicContact CD1-CB 4.32Å; Y74-A94 HydrophobicContact CE1-CB 4.27Å; Y74-F562 HydrophobicContact CD2-CD2 4.05Å; Y74-F562 AromaticContact CD2-CE2 3.85Å; Y74-F562 HydrophobicContact CD2-CE2 3.85Å; Y74-L566 HydrophobicContact CD2-CD1 3.77Å; Y74-L566 HydrophobicContact CE2-CD1 4.37Å; Y74-L566 HydrophobicContact CG-CD1 4.03Å; Y74-L583 HydrophobicContact CD1-CD1 4.42Å; Y74-L583 HydrophobicContact CE1-CD1 3.69Å; Y74-Y589 HydrophobicContact CE2-CD2 4.02Å; Y74-I592 HydrophobicContact CE2-CG2 4.06Å
75	L	98.9	Very high	98.6	Very high	15 Å²	15	43.7 Å²	43.7	8%	0.079	23%	0.225	C	C	.	.	H	α-helix	trans	-63.6	-38.7	177.9	-65.2	175.9	0	0	0	112.3	I71 A77 Q78 K79 F87 T90 E91 A94	I71-L75 HydrophobicContact CG2-CD1 4.21Å; I71-L75 WeakPolarHBondContact O-CG 3.21Å; I71-L75 PolarHBondContact O-N 2.83Å; L75-A77 VanDerWaalsContact C-N 3.26Å; L75-A77 PolarHBondContact O-N 3.01Å; L75-Q78 PolarHBondContact O-N 2.88Å; L75-K79 PolarHBondContact O-N 2.75Å; L75-F87 HydrophobicContact CB-CE2 4.32Å; L75-F87 HydrophobicContact CB-CZ 4.24Å; L75-F87 WeakPolarHBondContact O-CE2 3.39Å; L75-T90 HydrophobicContact CD2-CG2 3.96Å; L75-E91 HydrophobicContact CD1-CB 4.29Å; L75-E91 HydrophobicContact CD1-CG 4.05Å; L75-E91 HydrophobicContact CD2-CB 4.23Å; L75-A94 HydrophobicContact CD1-CB 4.33Å; L75-A94 HydrophobicContact CD2-CB 4.04Å; L75-A94 HydrophobicContact CG-CB 4.34Å
76	A	98.8	Very high	98.6	Very high	35 Å²	35	48 Å²	48	29%	0.289	24%	0.244	S	C	.	.	H	α-helix	trans	-60.5	-33.9	174.1	0	0	0	0	0	113.2	R72 R73 Y74	R72-A76 WeakPolarHBondContact O-CB 3.18Å; R72-A76 PolarHBondContact O-N 3.34Å; R72-A76 VanDerWaalsContact O-N 3.08Å; R73-A76 PolarHBondContact O-N 2.95Å; Y74-A76 PolarHBondContact O-N 3.5Å
77	A	98.8	Very high	98.6	Very high	11 Å²	11	43.1 Å²	43.1	9%	0.091	22%	0.223	C	C	.	.	H	α-helix	trans	-82.4	-22.7	176.2	0	0	0	0	0	113.9	R73 Y74 L75 P80 R513 F562 I592	R73-A77 PolarHBondContact O-N 3.2Å; Y74-A77 PolarHBondContact O-N 3.32Å; Y74-A77 VanDerWaalsContact O-N 3.12Å; L75-A77 VanDerWaalsContact C-N 3.26Å; L75-A77 PolarHBondContact O-N 3.01Å; A77-P80 WeakPolarHBondContact O-CD 3.41Å; A77-R513 HydrophobicContact CB-CB 4.2Å; A77-R513 HydrophobicContact CB-CG 4.2Å; A77-F562 HydrophobicContact CB-CE1 3.55Å; A77-F562 HydrophobicContact CB-CZ 3.7Å; A77-I592 HydrophobicContact CB-CD1 3.86Å
78	Q	98.8	Very high	98.6	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-77.4	-31.8	171.1	-69.4	-69.5	20.7	0	0	113	Y74 L75 P80 L81 L82 T90 A588 I592	Y74-Q78 HydrophobicContact CD2-CG 4.34Å; Y74-Q78 HydrophobicContact CE1-CG 4.18Å; Y74-Q78 HydrophobicContact CE2-CG 3.98Å; Y74-Q78 VanDerWaalsContact CE2-NE2 3.35Å; Y74-Q78 VanDerWaalsContact CZ-NE2 3.35Å; Y74-Q78 WeakPolarHBondContact O-CG 3.44Å; Y74-Q78 PolarHBondContact O-N 2.74Å; Y74-Q78 PolarHBondContact OH-NE2 2.95Å; L75-Q78 PolarHBondContact O-N 2.88Å; Q78-P80 VanDerWaalsContact C-CD 3.4Å; Q78-L81 WeakPolarHBondContact O-CB 3.48Å; Q78-L81 PolarHBondContact O-N 2.73Å; Q78-L82 HydrophobicContact CB-CD1 3.9Å; Q78-L82 HydrophobicContact CB-CG 4.31Å; Q78-L82 HydrophobicContact CG-CD1 4.42Å; Q78-L82 PolarHBondContact O-N 2.86Å; Q78-L82 VanDerWaalsContact O-N 3.14Å; Q78-T90 HydrophobicContact CG-CG2 4.3Å; Q78-A588 PolarHBondContact NE2-O 3.19Å; Q78-I592 HydrophobicContact CG-CD1 4.12Å
79	K	98.6	Very high	98.6	Very high	104 Å²	104	44.2 Å²	44.2	45%	0.452	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-27.3	-174.9	-161.5	150.9	-168.6	139	0	117.4	L75 F87 V517	L75-K79 PolarHBondContact O-N 2.75Å; K79-F87 HydrophobicContact CB-CD2 4.15Å; K79-F87 HydrophobicContact CB-CE2 3.75Å; K79-F87 HydrophobicContact CD-CE2 4.04Å; K79-F87 HydrophobicContact CD-CZ 4Å; K79-F87 HydrophobicContact CG-CD2 4.28Å; K79-F87 HydrophobicContact CG-CE2 4.05Å; K79-V517 HydrophobicContact CB-CG1 4.1Å; K79-V517 HydrophobicContact CG-CG1 4.1Å
80	P	98.4	Very high	98.6	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.019	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-9.3	170.1	33.9	-37	0	0	0	114.5	A77 Q78 T492 R520	A77-P80 WeakPolarHBondContact O-CD 3.41Å; Q78-P80 VanDerWaalsContact C-CD 3.4Å; P80-T492 HydrophobicContact CB-CG2 4.44Å; P80-R520 HydrophobicContact CB-CB 4.21Å
81	L	98.5	Very high	98.6	Very high	41 Å²	41	46 Å²	46	22%	0.215	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-32.2	-173.2	-54.1	-177	0	0	0	113.5	Q78 T492 V493 A494 A515 I592	Q78-L81 WeakPolarHBondContact O-CB 3.48Å; Q78-L81 PolarHBondContact O-N 2.73Å; L81-T492 HydrophobicContact CD2-CG2 4.2Å; L81-V493 VanDerWaalsContact CD2-C 3.47Å; L81-A494 HydrophobicContact CD1-CB 4.4Å; L81-A515 HydrophobicContact CD2-CB 4.18Å; L81-I592 HydrophobicContact CD1-CB 4.36Å; L81-I592 HydrophobicContact CD1-CD1 4.12Å; L81-I592 HydrophobicContact CD1-CG1 3.91Å
82	L	98.4	Very high	98.6	Very high	22 Å²	22	52.3 Å²	52.3	12%	0.115	28%	0.277	C	S	.	.	S	Bend	trans	-99.3	158.2	-173.7	-56.7	-177.8	0	0	0	112.7	Q78 Q86 F87 T90 A588	Q78-L82 HydrophobicContact CB-CD1 3.9Å; Q78-L82 HydrophobicContact CB-CG 4.31Å; Q78-L82 HydrophobicContact CG-CD1 4.42Å; Q78-L82 PolarHBondContact O-N 2.86Å; Q78-L82 VanDerWaalsContact O-N 3.14Å; L82-Q86 HydrophobicContact CB-CB 3.91Å; L82-Q86 HydrophobicContact CD1-CB 4.37Å; L82-Q86 HydrophobicContact CD2-CB 4.28Å; L82-Q86 HydrophobicContact CG-CB 4.4Å; L82-F87 HydrophobicContact CB-CB 4.24Å; L82-F87 HydrophobicContact CD1-CB 4.44Å; L82-T90 HydrophobicContact CD1-CG2 4.35Å; L82-A588 HydrophobicContact CD1-CB 3.84Å; L82-A588 HydrophobicContact CD2-CB 3.88Å; L82-A588 HydrophobicContact CG-CB 4.48Å
83	D	97.9	Very high	98.6	Very high	85 Å²	85	48 Å²	48	46%	0.455	26%	0.264	S	S	.	.			trans	-77.1	168.8	159.4	72.8	57.7	0	0	0	111.7	G85 Q86 F87	D83-G85 VanDerWaalsContact C-N 3.3Å; D83-G85 PolarHBondContact O-N 3.16Å; D83-G85 WeakPolarHBondContact OD1-CA 3.31Å; D83-G85 PolarHBondContact OD1-N 2.88Å; D83-Q86 PolarHBondContact O-N 3.46Å; D83-Q86 PolarHBondContact OD1-N 3.32Å; D83-Q86 VanDerWaalsContact OD2-CG 3.3Å; D83-Q86 WeakPolarHBondContact OD2-CG 3.45Å; D83-Q86 PolarHBondContact OD2-NE2 3.3Å; D83-F87 VanDerWaalsContact O-CB 3.23Å; D83-F87 WeakPolarHBondContact O-CB 3.29Å; D83-F87 PolarHBondContact O-N 2.95Å
84	D	97.8	Very high	98.6	Very high	136 Å²	136	46.6 Å²	46.6	73%	0.727	26%	0.258	S	S	*	.	H	α-helix	trans	-64.6	-29.4	-174.9	-65	-50	0	0	0	113.8	A88	D84-A88 WeakPolarHBondContact O-CB 3.44Å; D84-A88 PolarHBondContact O-N 3.44Å
85	G	98.3	Very high	98.6	Very high	42 Å²	42	51 Å²	51	43%	0.433	28%	0.278	S	S	.	.	H	α-helix	trans	-80.2	-40.1	179.2	0	0	0	0	0	112.4	D83 T89	D83-G85 VanDerWaalsContact C-N 3.3Å; D83-G85 PolarHBondContact O-N 3.16Å; D83-G85 WeakPolarHBondContact OD1-CA 3.31Å; D83-G85 PolarHBondContact OD1-N 2.88Å; G85-T89 WeakPolarHBondContact O-CB 3.39Å; G85-T89 PolarHBondContact O-N 2.94Å; G85-T89 VanDerWaalsContact O-N 3.14Å; G85-T89 PolarHBondContact O-OG1 3.47Å
86	Q	98.4	Very high	98.5	Very high	92 Å²	92	54.6 Å²	54.6	43%	0.43	30%	0.298	S	S	.	.	H	α-helix	trans	-59.2	-49.2	166.8	-70.1	172.5	6.8	0	0	110.4	L82 D83 A88 T89 T90	L82-Q86 HydrophobicContact CB-CB 3.91Å; L82-Q86 HydrophobicContact CD1-CB 4.37Å; L82-Q86 HydrophobicContact CD2-CB 4.28Å; L82-Q86 HydrophobicContact CG-CB 4.4Å; D83-Q86 PolarHBondContact O-N 3.46Å; D83-Q86 PolarHBondContact OD1-N 3.32Å; D83-Q86 VanDerWaalsContact OD2-CG 3.3Å; D83-Q86 WeakPolarHBondContact OD2-CG 3.45Å; D83-Q86 PolarHBondContact OD2-NE2 3.3Å; Q86-A88 PolarHBondContact O-N 2.8Å; Q86-T89 WeakPolarHBondContact O-CB 2.86Å; Q86-T89 PolarHBondContact O-N 2.96Å; Q86-T89 VanDerWaalsContact O-N 3.14Å; Q86-T90 PolarHBondContact O-N 3.47Å; Q86-T90 PolarHBondContact O-OG1 3.39Å
87	F	98.7	Very high	98.5	Very high	15 Å²	15	53 Å²	53	7%	0.066	28%	0.284	C	S	.	.	H	α-helix	trans	-59.8	-47.2	179.9	-175.9	-89	0	0	0	112.2	L75 K79 L82 D83 T89 T90 E91	L75-F87 HydrophobicContact CB-CE2 4.32Å; L75-F87 HydrophobicContact CB-CZ 4.24Å; L75-F87 WeakPolarHBondContact O-CE2 3.39Å; K79-F87 HydrophobicContact CB-CD2 4.15Å; K79-F87 HydrophobicContact CB-CE2 3.75Å; K79-F87 HydrophobicContact CD-CE2 4.04Å; K79-F87 HydrophobicContact CD-CZ 4Å; K79-F87 HydrophobicContact CG-CD2 4.28Å; K79-F87 HydrophobicContact CG-CE2 4.05Å; L82-F87 HydrophobicContact CB-CB 4.24Å; L82-F87 HydrophobicContact CD1-CB 4.44Å; D83-F87 VanDerWaalsContact O-CB 3.23Å; D83-F87 WeakPolarHBondContact O-CB 3.29Å; D83-F87 PolarHBondContact O-N 2.95Å; F87-T89 VanDerWaalsContact C-N 3.25Å; F87-T89 PolarHBondContact O-N 2.88Å; F87-T90 PolarHBondContact O-N 3.2Å; F87-E91 HydrophobicContact CD1-CB 4.48Å; F87-E91 HydrophobicContact CE1-CB 4.15Å; F87-E91 WeakPolarHBondContact O-CB 3.35Å; F87-E91 PolarHBondContact O-N 3.19Å
88	A	98.7	Very high	98.5	Very high	53 Å²	53	55 Å²	55	44%	0.438	29%	0.292	S	S	.	.	H	α-helix	trans	-61.3	-34.4	176.9	0	0	0	0	0	112.6	D84 Q86 K92	D84-A88 WeakPolarHBondContact O-CB 3.44Å; D84-A88 PolarHBondContact O-N 3.44Å; Q86-A88 PolarHBondContact O-N 2.8Å; A88-K92 PolarHBondContact O-N 2.97Å; A88-K92 VanDerWaalsContact O-N 3.1Å
89	T	98.7	Very high	98.5	Very high	82 Å²	82	60.5 Å²	60.5	50%	0.503	32%	0.322	S	S	.	.	H	α-helix	trans	-67.8	-50.9	175.6	-56.5	0	0	0	0	111.1	G85 Q86 F87 E91 K92 I93	G85-T89 WeakPolarHBondContact O-CB 3.39Å; G85-T89 PolarHBondContact O-N 2.94Å; G85-T89 VanDerWaalsContact O-N 3.14Å; G85-T89 PolarHBondContact O-OG1 3.47Å; Q86-T89 WeakPolarHBondContact O-CB 2.86Å; Q86-T89 PolarHBondContact O-N 2.96Å; Q86-T89 VanDerWaalsContact O-N 3.14Å; F87-T89 VanDerWaalsContact C-N 3.25Å; F87-T89 PolarHBondContact O-N 2.88Å; T89-E91 PolarHBondContact O-N 3.24Å; T89-K92 PolarHBondContact O-N 3.37Å; T89-I93 HydrophobicContact CG2-CD1 3.99Å; T89-I93 WeakPolarHBondContact O-CG1 3.26Å; T89-I93 PolarHBondContact O-N 3Å
90	T	98.8	Very high	98.4	Very high	1 Å²	1	57 Å²	57	1%	0.006	32%	0.315	C	S	.	.	H	α-helix	trans	-63.1	-38.1	176.6	-65.4	0	0	0	0	112.5	Y74 L75 Q78 L82 Q86 F87 I93 A94 D586 A588	Y74-T90 HydrophobicContact CE1-CG2 3.66Å; L75-T90 HydrophobicContact CD2-CG2 3.96Å; Q78-T90 HydrophobicContact CG-CG2 4.3Å; L82-T90 HydrophobicContact CD1-CG2 4.35Å; Q86-T90 PolarHBondContact O-N 3.47Å; Q86-T90 PolarHBondContact O-OG1 3.39Å; F87-T90 PolarHBondContact O-N 3.2Å; T90-I93 PolarHBondContact O-N 3.12Å; T90-A94 WeakPolarHBondContact O-CB 3.49Å; T90-A94 PolarHBondContact O-N 3.24Å; T90-D586 WeakPolarHBondContact CA-OD2 3.34Å; T90-D586 WeakPolarHBondContact CB-OD2 3.28Å; T90-D586 VanDerWaalsContact CG2-OD2 3.3Å; T90-D586 WeakPolarHBondContact CG2-OD2 3.46Å; T90-D586 PolarHBondContact OG1-OD1 3.36Å; T90-D586 PolarHBondContact OG1-OD2 3.1Å; T90-A588 HydrophobicContact CG2-CB 4.08Å; T90-A588 WeakPolarHBondContact OG1-CB 3.4Å
91	E	98.8	Very high	98.3	Very high	71 Å²	71	59.3 Å²	59.3	33%	0.332	33%	0.329	S	S	.	.	H	α-helix	trans	-61.5	-46.7	175.2	176.3	160.3	-114.8	0	0	111.3	L75 F87 T89 A94 Q95	L75-E91 HydrophobicContact CD1-CB 4.29Å; L75-E91 HydrophobicContact CD1-CG 4.05Å; L75-E91 HydrophobicContact CD2-CB 4.23Å; F87-E91 HydrophobicContact CD1-CB 4.48Å; F87-E91 HydrophobicContact CE1-CB 4.15Å; F87-E91 WeakPolarHBondContact O-CB 3.35Å; F87-E91 PolarHBondContact O-N 3.19Å; T89-E91 PolarHBondContact O-N 3.24Å; E91-A94 PolarHBondContact O-N 3.36Å; E91-Q95 VanDerWaalsContact CG-NE2 3.3Å; E91-Q95 WeakPolarHBondContact O-CB 3.47Å; E91-Q95 VanDerWaalsContact O-CG 3.28Å; E91-Q95 WeakPolarHBondContact O-CG 3.46Å; E91-Q95 PolarHBondContact O-N 2.63Å
92	K	98.7	Very high	98.3	Very high	135 Å²	135	57.4 Å²	57.4	59%	0.587	32%	0.319	S	S	*	.	H	α-helix	trans	-60.3	-49.9	173.6	-176.2	-177.6	174.2	-174.6	0	111.8	A88 T89 A94 Q95 D96	A88-K92 PolarHBondContact O-N 2.97Å; A88-K92 VanDerWaalsContact O-N 3.1Å; T89-K92 PolarHBondContact O-N 3.37Å; K92-A94 VanDerWaalsContact C-N 3.26Å; K92-A94 PolarHBondContact O-N 2.63Å; K92-Q95 PolarHBondContact O-N 3.03Å; K92-D96 WeakPolarHBondContact CE-OD2 3.22Å; K92-D96 WeakPolarHBondContact O-CB 3.42Å; K92-D96 PolarHBondContact O-N 3.44Å
93	I	98.8	Very high	98.3	Very high	36 Å²	36	61.4 Å²	61.4	19%	0.185	34%	0.335	C	S	.	.	H	α-helix	trans	-58.6	-39.9	179.8	-69.1	167.2	0	0	0	111.1	T89 T90 F97 L583 D586	T89-I93 HydrophobicContact CG2-CD1 3.99Å; T89-I93 WeakPolarHBondContact O-CG1 3.26Å; T89-I93 PolarHBondContact O-N 3Å; T90-I93 PolarHBondContact O-N 3.12Å; I93-F97 WeakPolarHBondContact O-CB 3.31Å; I93-F97 PolarHBondContact O-N 3.25Å; I93-L583 HydrophobicContact CG2-CB 4.29Å; I93-L583 HydrophobicContact CG2-CD1 4.49Å; I93-D586 HydrophobicContact CD1-CB 4.26Å
94	A	98.7	Very high	98.3	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-71.2	-35.7	178.9	0	0	0	0	0	112.7	I71 Y74 L75 T90 E91 K92 Q98 L583	I71-A94 HydrophobicContact CD1-CB 4.29Å; I71-A94 HydrophobicContact CG2-CB 3.9Å; Y74-A94 HydrophobicContact CD1-CB 4.32Å; Y74-A94 HydrophobicContact CE1-CB 4.27Å; L75-A94 HydrophobicContact CD1-CB 4.33Å; L75-A94 HydrophobicContact CD2-CB 4.04Å; L75-A94 HydrophobicContact CG-CB 4.34Å; T90-A94 WeakPolarHBondContact O-CB 3.49Å; T90-A94 PolarHBondContact O-N 3.24Å; E91-A94 PolarHBondContact O-N 3.36Å; K92-A94 VanDerWaalsContact C-N 3.26Å; K92-A94 PolarHBondContact O-N 2.63Å; A94-Q98 WeakPolarHBondContact O-CB 3.44Å; A94-Q98 PolarHBondContact O-N 3.4Å; A94-L583 HydrophobicContact CB-CD1 4.24Å
95	Q	98.4	Very high	98.3	Very high	91 Å²	91	56.7 Å²	56.7	43%	0.425	31%	0.306	S	S	.	.	H	α-helix	trans	-68.4	-43.7	171.8	-70.7	175.1	21.1	0	0	112	E91 K92 F97 Q98 N99	E91-Q95 VanDerWaalsContact CG-NE2 3.3Å; E91-Q95 WeakPolarHBondContact O-CB 3.47Å; E91-Q95 VanDerWaalsContact O-CG 3.28Å; E91-Q95 WeakPolarHBondContact O-CG 3.46Å; E91-Q95 PolarHBondContact O-N 2.63Å; K92-Q95 PolarHBondContact O-N 3.03Å; Q95-F97 VanDerWaalsContact C-N 3.31Å; Q95-F97 PolarHBondContact O-N 2.86Å; Q95-Q98 PolarHBondContact O-N 3.33Å; Q95-N99 WeakPolarHBondContact O-CB 3.5Å; Q95-N99 PolarHBondContact O-N 3.34Å; Q95-N99 PolarHBondContact O-ND2 3.02Å; Q95-N99 VanDerWaalsContact O-ND2 3.1Å
96	D	98.5	Very high	98.3	Very high	91 Å²	91	56.4 Å²	56.4	49%	0.487	29%	0.293	S	S	.	.	H	α-helix	trans	-61.1	-40	175	-73.5	-23.3	0	0	0	110.9	K92 G100	K92-D96 WeakPolarHBondContact CE-OD2 3.22Å; K92-D96 WeakPolarHBondContact O-CB 3.42Å; K92-D96 PolarHBondContact O-N 3.44Å; D96-G100 WeakPolarHBondContact O-CA 3.38Å; D96-G100 PolarHBondContact O-N 3.42Å
97	F	98.6	Very high	98.4	Very high	1 Å²	1	57.2 Å²	57.2	0%	0.004	30%	0.297	C	S	.	.	H	α-helix	trans	-65.3	-45.7	172.4	-179.5	-95.2	0	0	0	112.3	L67 I71 I93 Q95 N99 G100 V101 G102 L105 L566 L569 P581 L583 Y584	L67-F97 HydrophobicContact CD1-CE1 4.17Å; I71-F97 HydrophobicContact CD1-CD1 4.03Å; I93-F97 WeakPolarHBondContact O-CB 3.31Å; I93-F97 PolarHBondContact O-N 3.25Å; Q95-F97 VanDerWaalsContact C-N 3.31Å; Q95-F97 PolarHBondContact O-N 2.86Å; F97-N99 VanDerWaalsContact C-N 3.3Å; F97-N99 PolarHBondContact O-N 3.49Å; F97-G100 PolarHBondContact O-N 3.08Å; F97-V101 HydrophobicContact CD2-CG1 3.9Å; F97-V101 HydrophobicContact CE2-CG1 4.17Å; F97-G102 VanDerWaalsContact CE1-CA 3.46Å; F97-G102 WeakPolarHBondContact O-CA 3.47Å; F97-G102 PolarHBondContact O-N 2.93Å; F97-L105 HydrophobicContact CE2-CD1 4.38Å; F97-L566 HydrophobicContact CE1-CD2 4.41Å; F97-L569 HydrophobicContact CE1-CD1 4.33Å; F97-L569 HydrophobicContact CZ-CD1 4.39Å; F97-P581 HydrophobicContact CD2-CB 3.86Å; F97-P581 HydrophobicContact CE2-CB 3.7Å; F97-P581 HydrophobicContact CE2-CG 4.15Å; F97-L583 HydrophobicContact CB-CB 4.06Å; F97-L583 HydrophobicContact CB-CD2 4.28Å; F97-L583 HydrophobicContact CD1-CD2 3.45Å; F97-L583 VanDerWaalsContact CD1-CD2 3.45Å; F97-L583 HydrophobicContact CD2-CB 3.82Å; F97-L583 HydrophobicContact CD2-CD2 4.12Å; F97-L583 HydrophobicContact CE1-CD2 3.63Å; F97-L583 HydrophobicContact CE2-CB 4.38Å; F97-L583 HydrophobicContact CE2-CD2 4.29Å; F97-L583 HydrophobicContact CG-CB 3.9Å; F97-L583 HydrophobicContact CG-CD2 3.69Å; F97-L583 HydrophobicContact CG-CG 4.43Å; F97-L583 HydrophobicContact CZ-CD2 4.06Å; F97-Y584 AromaticContact CE2-CE2 3.93Å; F97-Y584 HydrophobicContact CE2-CE2 3.93Å; F97-Y584 HydrophobicContact CZ-CE2 4.17Å; F97-Y584 AromaticContact CZ-CZ 3.99Å
98	Q	98.3	Very high	98.3	Very high	53 Å²	53	60.2 Å²	60.2	25%	0.248	31%	0.311	C	S	.	.	H	α-helix	trans	-58.9	-41.1	179.2	-171.1	-173.9	-86.5	0	0	112.3	L67 I71 A94 Q95	L67-Q98 HydrophobicContact CD2-CG 4.25Å; L67-Q98 HydrophobicContact CG-CG 4.23Å; I71-Q98 HydrophobicContact CG1-CB 4.2Å; I71-Q98 HydrophobicContact CG1-CG 4.4Å; A94-Q98 WeakPolarHBondContact O-CB 3.44Å; A94-Q98 PolarHBondContact O-N 3.4Å; Q95-Q98 PolarHBondContact O-N 3.33Å
99	N	97.8	Very high	98.3	Very high	117 Å²	117	57.9 Å²	57.9	63%	0.626	29%	0.292	S	S	*	.	H	α-helix	trans	-89.3	-20	-175.6	-62.5	-36.6	0	0	0	112.9	Q95 F97	Q95-N99 WeakPolarHBondContact O-CB 3.5Å; Q95-N99 PolarHBondContact O-N 3.34Å; Q95-N99 PolarHBondContact O-ND2 3.02Å; Q95-N99 VanDerWaalsContact O-ND2 3.1Å; F97-N99 VanDerWaalsContact C-N 3.3Å; F97-N99 PolarHBondContact O-N 3.49Å
100	G	97	Very high	98.3	Very high	31 Å²	31	55.4 Å²	55.4	32%	0.32	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-122.5	179.3	0	0	0	0	0	114	D96 F97 G102 K103	D96-G100 WeakPolarHBondContact O-CA 3.38Å; D96-G100 PolarHBondContact O-N 3.42Å; F97-G100 PolarHBondContact O-N 3.08Å; G100-G102 VanDerWaalsContact C-N 3.28Å; G100-G102 PolarHBondContact O-N 2.9Å; G100-K103 WeakPolarHBondContact O-CB 3.2Å; G100-K103 PolarHBondContact O-N 3.42Å; G100-K103 VanDerWaalsContact O-N 3.14Å
101	V	97.1	Very high	98.3	Very high	51 Å²	51	58.1 Å²	58.1	31%	0.309	30%	0.299	S	S	.	.	H	α-helix	trans	-61.6	-29.5	-170.1	66.1	0	0	0	0	114.1	F97 K103 Q104 L105 P581	F97-V101 HydrophobicContact CD2-CG1 3.9Å; F97-V101 HydrophobicContact CE2-CG1 4.17Å; V101-K103 VanDerWaalsContact C-N 3.3Å; V101-K103 PolarHBondContact O-N 2.84Å; V101-Q104 PolarHBondContact O-N 2.73Å; V101-L105 HydrophobicContact CG2-CD1 4.15Å; V101-L105 HydrophobicContact CG2-CG 4.38Å; V101-L105 WeakPolarHBondContact O-CG 3.32Å; V101-L105 PolarHBondContact O-N 3.23Å; V101-P581 HydrophobicContact CG1-CB 3.8Å; V101-P581 HydrophobicContact CG1-CG 3.96Å; V101-P581 HydrophobicContact CG2-CG 4.38Å
102	G	98.1	Very high	98.3	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-63.8	-34.5	177.1	0	0	0	0	0	113	L67 F97 G100 H106	L67-G102 VanDerWaalsContact CD2-C 3.46Å; L67-G102 WeakPolarHBondContact CD2-O 3.4Å; F97-G102 VanDerWaalsContact CE1-CA 3.46Å; F97-G102 WeakPolarHBondContact O-CA 3.47Å; F97-G102 PolarHBondContact O-N 2.93Å; G100-G102 VanDerWaalsContact C-N 3.28Å; G100-G102 PolarHBondContact O-N 2.9Å; G102-H106 VanDerWaalsContact O-CB 3.26Å; G102-H106 WeakPolarHBondContact O-CB 2.95Å; G102-H106 PolarHBondContact O-N 3.36Å
103	K	98.4	Very high	98.3	Very high	107 Å²	107	53.8 Å²	53.8	47%	0.465	28%	0.281	S	S	.	.	H	α-helix	trans	-62.3	-46.2	173	179.5	176.6	172.1	-178.6	0	111.6	L67 G100 V101 H106 E107	L67-K103 HydrophobicContact CD2-CB 4.38Å; G100-K103 WeakPolarHBondContact O-CB 3.2Å; G100-K103 PolarHBondContact O-N 3.42Å; G100-K103 VanDerWaalsContact O-N 3.14Å; V101-K103 VanDerWaalsContact C-N 3.3Å; V101-K103 PolarHBondContact O-N 2.84Å; K103-H106 PolarHBondContact O-N 3.48Å; K103-E107 WeakPolarHBondContact CE-OE1 3.31Å; K103-E107 IonicContact NZ-OE1 2.77Å; K103-E107 WeakPolarHBondContact O-CG 3.4Å; K103-E107 PolarHBondContact O-N 3.22Å
104	Q	97.8	Very high	98.2	Very high	120 Å²	120	58.3 Å²	58.3	56%	0.561	30%	0.3	S	S	*	.	H	α-helix	trans	-62.3	-48.6	179.6	-60.4	176.5	-2	0	0	110.9	V101 H106 E107 E108	V101-Q104 PolarHBondContact O-N 2.73Å; Q104-H106 VanDerWaalsContact C-N 3.28Å; Q104-H106 PolarHBondContact O-N 3.02Å; Q104-E107 PolarHBondContact O-N 3.18Å; Q104-E108 WeakPolarHBondContact O-CG 3.24Å; Q104-E108 PolarHBondContact O-N 2.95Å
105	L	98.3	Very high	98.2	Very high	2 Å²	2	62 Å²	62	1%	0.01	33%	0.33	C	S	.	.	H	α-helix	trans	-60.5	-36	175.7	-68.6	168	0	0	0	112.2	F97 V101 L109 L569 L572 A573 P581	F97-L105 HydrophobicContact CE2-CD1 4.38Å; V101-L105 HydrophobicContact CG2-CD1 4.15Å; V101-L105 HydrophobicContact CG2-CG 4.38Å; V101-L105 WeakPolarHBondContact O-CG 3.32Å; V101-L105 PolarHBondContact O-N 3.23Å; L105-L109 VanDerWaalsContact O-CB 3.27Å; L105-L109 WeakPolarHBondContact O-CB 3.49Å; L105-L109 PolarHBondContact O-N 3.45Å; L105-L569 VanDerWaalsContact C-CD2 3.41Å; L105-L569 HydrophobicContact CB-CD2 3.77Å; L105-L569 WeakPolarHBondContact O-CD2 3.44Å; L105-L572 HydrophobicContact CD2-CB 4.49Å; L105-L572 HydrophobicContact CD2-CD2 4.16Å; L105-L572 HydrophobicContact CD2-CG 4.12Å; L105-L572 WeakPolarHBondContact O-CD2 3.27Å; L105-A573 HydrophobicContact CD1-CB 4.06Å; L105-A573 HydrophobicContact CD2-CB 4Å; L105-P581 HydrophobicContact CD1-CG 4.09Å
106	H	98.7	Very high	98.2	Very high	35 Å²	35	60.7 Å²	60.7	16%	0.162	33%	0.326	C	S	.	.	H	α-helix	trans	-71.3	-43.6	177.6	177	69.7	0	0	0	112.6	P65 L67 G102 K103 Q104 E108 L109 V110 H565 L569	P65-H106 PolarHBondContact O-CE1 2.92Å; L67-H106 HydrophobicContact CB-CB 4.38Å; L67-H106 HydrophobicContact CD2-CB 4.21Å; G102-H106 VanDerWaalsContact O-CB 3.26Å; G102-H106 WeakPolarHBondContact O-CB 2.95Å; G102-H106 PolarHBondContact O-N 3.36Å; K103-H106 PolarHBondContact O-N 3.48Å; Q104-H106 VanDerWaalsContact C-N 3.28Å; Q104-H106 PolarHBondContact O-N 3.02Å; H106-E108 VanDerWaalsContact C-N 3.28Å; H106-E108 PolarHBondContact O-N 3.25Å; H106-L109 PolarHBondContact O-N 2.89Å; H106-V110 WeakPolarHBondContact O-CB 3.37Å; H106-V110 VanDerWaalsContact O-CG2 3.29Å; H106-V110 WeakPolarHBondContact O-CG2 3.4Å; H106-V110 PolarHBondContact O-N 3.31Å; H106-H565 AromaticContact CE1-CE1 3.64Å; H106-H565 AromaticContact CE1-NE2 3.75Å; H106-H565 AromaticContact ND1-CE1 3.21Å; H106-H565 PolarHBondContact ND1-CE1 3.33Å; H106-H565 AromaticContact ND1-NE2 3.01Å; H106-H565 PolarHBondContact ND1-NE2 2.8Å; H106-L569 HydrophobicContact CB-CD2 4.1Å
107	E	98.6	Very high	98.2	Very high	109 Å²	109	62.7 Å²	62.7	51%	0.509	33%	0.33	S	S	.	.	H	α-helix	trans	-59.9	-40.2	174.7	-73.6	172.5	178.6	0	0	111.2	K103 Q104 A111	K103-E107 WeakPolarHBondContact CE-OE1 3.31Å; K103-E107 IonicContact NZ-OE1 2.77Å; K103-E107 WeakPolarHBondContact O-CG 3.4Å; K103-E107 PolarHBondContact O-N 3.22Å; Q104-E107 PolarHBondContact O-N 3.18Å; E107-A111 WeakPolarHBondContact O-CB 3.29Å; E107-A111 PolarHBondContact O-N 3Å
108	E	98.1	Very high	98.1	Very high	78 Å²	78	68.7 Å²	68.7	36%	0.364	36%	0.358	S	S	.	.	H	α-helix	trans	-69.4	-44.1	174.2	-71	-174.2	140.8	0	0	113.6	Q104 H106 V110 A111 Q112 L572 K576	Q104-E108 WeakPolarHBondContact O-CG 3.24Å; Q104-E108 PolarHBondContact O-N 2.95Å; H106-E108 VanDerWaalsContact C-N 3.28Å; H106-E108 PolarHBondContact O-N 3.25Å; E108-V110 VanDerWaalsContact C-N 3.29Å; E108-V110 PolarHBondContact O-N 3.4Å; E108-A111 CarbonylContact O-C 3.48Å; E108-A111 WeakPolarHBondContact O-CB 3.39Å; E108-A111 PolarHBondContact O-N 3.06Å; E108-A111 VanDerWaalsContact O-N 3.09Å; E108-Q112 WeakPolarHBondContact O-CB 3.42Å; E108-Q112 PolarHBondContact O-N 3.18Å; E108-L572 HydrophobicContact CB-CD2 3.94Å; E108-K576 IonicContact OE1-NZ 2.75Å; E108-K576 PolarHBondContact OE1-NZ 2.67Å; E108-K576 IonicContact OE2-NZ 3.75Å; E108-K576 PolarHBondContact OE2-NZ 3.06Å
109	L	98.6	Very high	98.1	Very high	4 Å²	4	67.6 Å²	67.6	2%	0.021	36%	0.355	C	S	.	.	H	α-helix	trans	-60.4	-41	176.2	-178.2	65.1	0	0	0	111	V64 L105 H106 Q112 D113 Y121 A568 L569 L572	V64-L109 HydrophobicContact CG1-CD2 4.15Å; L105-L109 VanDerWaalsContact O-CB 3.27Å; L105-L109 WeakPolarHBondContact O-CB 3.49Å; L105-L109 PolarHBondContact O-N 3.45Å; H106-L109 PolarHBondContact O-N 2.89Å; L109-Q112 PolarHBondContact O-N 3.08Å; L109-D113 VanDerWaalsContact O-CB 3.31Å; L109-D113 WeakPolarHBondContact O-CB 3.36Å; L109-D113 PolarHBondContact O-N 2.85Å; L109-Y121 HydrophobicContact CD1-CD2 4.32Å; L109-Y121 HydrophobicContact CD2-CD2 4.25Å; L109-A568 HydrophobicContact CD1-CB 4.2Å; L109-A568 HydrophobicContact CD2-CB 3.91Å; L109-L569 HydrophobicContact CB-CD2 4.11Å; L109-L569 HydrophobicContact CD2-CD2 3.8Å; L109-L569 HydrophobicContact CD2-CG 4.17Å; L109-L572 HydrophobicContact CB-CD2 4.21Å
110	V	98.8	Very high	98.1	Very high	31 Å²	31	62.3 Å²	62.3	19%	0.188	33%	0.327	C	S	.	.	H	α-helix	trans	-67.8	-33.3	174.5	169	0	0	0	0	111.7	V64 H106 E108 K114	V64-V110 HydrophobicContact CB-CG2 4.19Å; V64-V110 HydrophobicContact CG1-CG2 4.05Å; V64-V110 HydrophobicContact CG2-CG2 4.43Å; H106-V110 WeakPolarHBondContact O-CB 3.37Å; H106-V110 VanDerWaalsContact O-CG2 3.29Å; H106-V110 WeakPolarHBondContact O-CG2 3.4Å; H106-V110 PolarHBondContact O-N 3.31Å; E108-V110 VanDerWaalsContact C-N 3.29Å; E108-V110 PolarHBondContact O-N 3.4Å; V110-K114 HydrophobicContact CG1-CD 4.06Å; V110-K114 VanDerWaalsContact CG1-CE 3.46Å; V110-K114 WeakPolarHBondContact O-CB 3.16Å; V110-K114 WeakPolarHBondContact O-CD 3.49Å; V110-K114 WeakPolarHBondContact O-CG 3.31Å; V110-K114 PolarHBondContact O-N 3.41Å
111	A	98.6	Very high	98.2	Very high	57 Å²	57	61.7 Å²	61.7	47%	0.471	32%	0.315	S	S	.	.	H	α-helix	trans	-69.2	-42.7	172.2	0	0	0	0	0	112.1	E107 E108 K114 A115	E107-A111 WeakPolarHBondContact O-CB 3.29Å; E107-A111 PolarHBondContact O-N 3Å; E108-A111 CarbonylContact O-C 3.48Å; E108-A111 WeakPolarHBondContact O-CB 3.39Å; E108-A111 PolarHBondContact O-N 3.06Å; E108-A111 VanDerWaalsContact O-N 3.09Å; A111-K114 PolarHBondContact O-N 3.38Å; A111-A115 PolarHBondContact O-N 2.9Å
112	Q	98.3	Very high	98.3	Very high	99 Å²	99	59.3 Å²	59.3	46%	0.463	30%	0.301	S	S	.	.	H	α-helix	trans	-63.1	-42.4	175.9	-171.4	-179.7	16.8	0	0	111.4	E108 L109 A115 N116	E108-Q112 WeakPolarHBondContact O-CB 3.42Å; E108-Q112 PolarHBondContact O-N 3.18Å; L109-Q112 PolarHBondContact O-N 3.08Å; Q112-A115 PolarHBondContact O-N 2.67Å; Q112-N116 WeakPolarHBondContact O-CB 3.23Å; Q112-N116 PolarHBondContact O-N 3.39Å; Q112-N116 PolarHBondContact O-ND2 3.21Å
113	D	98.4	Very high	98.3	Very high	16 Å²	16	59.9 Å²	59.9	9%	0.086	31%	0.305	C	S	.	.	H	α-helix	trans	-59.3	-49.9	172.2	176.3	73.5	0	0	0	111.7	R61 V64 L109 A115 N116 K117	R61-D113 IonicContact CZ-OD1 2.78Å; R61-D113 IonicContact CZ-OD2 2.71Å; R61-D113 IonicContact NH1-OD1 3.86Å; R61-D113 IonicContact NH1-OD2 3.21Å; R61-D113 PolarHBondContact NH1-OD2 2.82Å; R61-D113 PolarHBondContact NH2-O 3.15Å; R61-D113 VanDerWaalsContact NH2-O 3.13Å; R61-D113 IonicContact NH2-OD1 3.62Å; R61-D113 PolarHBondContact NH2-OD1 3.07Å; R61-D113 IonicContact NH2-OD2 3.7Å; R61-D113 PolarHBondContact NH2-OD2 2.96Å; R61-D113 VanDerWaalsContact NH2-OD2 3.13Å; V64-D113 HydrophobicContact CG2-CB 4.14Å; L109-D113 VanDerWaalsContact O-CB 3.31Å; L109-D113 WeakPolarHBondContact O-CB 3.36Å; L109-D113 PolarHBondContact O-N 2.85Å; D113-A115 PolarHBondContact O-N 2.93Å; D113-N116 CarbonylContact O-C 3.53Å; D113-N116 PolarHBondContact O-N 3.12Å; D113-K117 PolarHBondContact O-N 3.31Å
114	K	98.3	Very high	98.3	Very high	132 Å²	132	56.4 Å²	56.4	57%	0.574	30%	0.299	S	S	*	.	H	α-helix	trans	-60.4	-28.2	176.7	-76.2	166.6	-176.7	169.6	0	113.3	V110 A111 K117	V110-K114 HydrophobicContact CG1-CD 4.06Å; V110-K114 VanDerWaalsContact CG1-CE 3.46Å; V110-K114 WeakPolarHBondContact O-CB 3.16Å; V110-K114 WeakPolarHBondContact O-CD 3.49Å; V110-K114 WeakPolarHBondContact O-CG 3.31Å; V110-K114 PolarHBondContact O-N 3.41Å; A111-K114 PolarHBondContact O-N 3.38Å; K114-K117 WeakPolarHBondContact O-CE 3.34Å; K114-K117 VanDerWaalsContact O-CG 3.26Å; K114-K117 WeakPolarHBondContact O-CG 3.35Å
115	A	98.3	Very high	98.3	Very high	76 Å²	76	51.6 Å²	51.6	63%	0.628	28%	0.278	S	S	*	.	H	α-helix	trans	-78.5	-37.7	173	0	0	0	0	0	112.4	A111 Q112 D113 K117	A111-A115 PolarHBondContact O-N 2.9Å; Q112-A115 PolarHBondContact O-N 2.67Å; D113-A115 PolarHBondContact O-N 2.93Å; A115-K117 PolarHBondContact O-N 3.13Å
116	N	98.1	Very high	98.3	Very high	65 Å²	65	52.4 Å²	52.4	35%	0.348	28%	0.281	S	S	.	.			trans	-101.1	42.2	-171.5	-67.7	-76.7	0	0	0	113.4	Q112 D113 H118 T119	Q112-N116 WeakPolarHBondContact O-CB 3.23Å; Q112-N116 PolarHBondContact O-N 3.39Å; Q112-N116 PolarHBondContact O-ND2 3.21Å; D113-N116 CarbonylContact O-C 3.53Å; D113-N116 PolarHBondContact O-N 3.12Å; N116-H118 PolarHBondContact O-N 3.04Å; N116-T119 HydrophobicContact CB-CG2 4.09Å; N116-T119 WeakPolarHBondContact O-CG2 3.34Å; N116-T119 PolarHBondContact O-N 3.42Å
117	K	97.6	Very high	98.3	Very high	132 Å²	132	53 Å²	53	57%	0.574	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-17.3	-170.3	-59.8	-172.9	-175.7	177.8	0	116.8	R61 D113 K114 A115 T119	R61-K117 PolarHBondContact NE-O 2.97Å; D113-K117 PolarHBondContact O-N 3.31Å; K114-K117 WeakPolarHBondContact O-CE 3.34Å; K114-K117 VanDerWaalsContact O-CG 3.26Å; K114-K117 WeakPolarHBondContact O-CG 3.35Å; A115-K117 PolarHBondContact O-N 3.13Å; K117-T119 VanDerWaalsContact C-N 3.27Å
118	H	97.2	Very high	98.3	Very high	128 Å²	128	49.3 Å²	49.3	59%	0.593	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-7.8	179	65.3	-89.3	0	0	0	113.8	N116 H506	N116-H118 PolarHBondContact O-N 3.04Å; H118-H506 PolarHBondContact O-CE1 3.48Å
119	T	98.4	Very high	98.3	Very high	30 Å²	30	48.8 Å²	48.8	18%	0.184	27%	0.265	C	S	.	.	S	Bend	trans	-137.6	173.8	177.9	-171.5	0	0	0	0	111	N116 K117 H506	N116-T119 HydrophobicContact CB-CG2 4.09Å; N116-T119 WeakPolarHBondContact O-CG2 3.34Å; N116-T119 PolarHBondContact O-N 3.42Å; K117-T119 VanDerWaalsContact C-N 3.27Å; T119-H506 WeakPolarHBondContact CA-ND1 3.48Å; T119-H506 VanDerWaalsContact CB-ND1 3.35Å; T119-H506 WeakPolarHBondContact CB-ND1 3.28Å; T119-H506 PolarHBondContact OG1-ND1 3.38Å
120	S	98.7	Very high	98.2	Very high	5 Å²	5	50.1 Å²	50.1	4%	0.035	27%	0.27	C	S	.	.			trans	-83.8	158.2	164.7	68.1	0	0	0	0	111.6	I122 S123 H506	S120-I122 PolarHBondContact O-N 3.16Å; S120-S123 WeakPolarHBondContact OG-CB 3.4Å; S120-S123 PolarHBondContact OG-N 3Å; S120-H506 WeakPolarHBondContact CB-O 3.46Å; S120-H506 PolarHBondContact OG-O 2.9Å
121	Y	98.6	Very high	98.2	Very high	19 Å²	19	49.4 Å²	49.4	8%	0.075	27%	0.265	C	S	.	.	S	Bend	trans	-64.3	-25.5	174.2	75.7	-91	0	0	0	113.7	L62 P63 V64 L109 A568	L62-Y121 HydrophobicContact CD2-CD1 4.11Å; L62-Y121 HydrophobicContact CD2-CE1 3.7Å; L62-Y121 HydrophobicContact CG-CE1 4.13Å; P63-Y121 WeakPolarHBondContact O-CE1 3.17Å; V64-Y121 HydrophobicContact CG2-CD1 3.71Å; V64-Y121 HydrophobicContact CG2-CE1 4.2Å; V64-Y121 HydrophobicContact CG2-CG 4.08Å; L109-Y121 HydrophobicContact CD1-CD2 4.32Å; L109-Y121 HydrophobicContact CD2-CD2 4.25Å; Y121-A568 HydrophobicContact CD2-CB 3.65Å; Y121-A568 HydrophobicContact CE2-CB 3.68Å
122	I	98.6	Very high	98.2	Very high	1 Å²	1	49 Å²	49	1%	0.005	26%	0.26	C	S	.	.	S	Bend	trans	-94.9	-27.8	-170.4	-166.8	59.4	0	0	0	114	L62 S120 G124 P125 W126 R508 R564 F567 A568	L62-I122 HydrophobicContact CD2-CB 4.43Å; L62-I122 HydrophobicContact CD2-CG2 3.48Å; L62-I122 VanDerWaalsContact CD2-CG2 3.48Å; S120-I122 PolarHBondContact O-N 3.16Å; I122-G124 PolarHBondContact O-N 3.19Å; I122-P125 WeakPolarHBondContact O-CD 3.38Å; I122-W126 HydrophobicContact CG1-CB 4.36Å; I122-W126 VanDerWaalsContact O-CB 3.26Å; I122-W126 WeakPolarHBondContact O-CB 3.38Å; I122-W126 PolarHBondContact O-N 3.05Å; I122-R508 HydrophobicContact CG2-CB 4.33Å; I122-R508 HydrophobicContact CG2-CG 4.13Å; I122-R564 HydrophobicContact CD1-CB 3.82Å; I122-R564 HydrophobicContact CD1-CG 4.23Å; I122-R564 HydrophobicContact CG1-CB 3.93Å; I122-R564 HydrophobicContact CG1-CG 4Å; I122-F567 HydrophobicContact CD1-CD1 3.74Å; I122-F567 HydrophobicContact CD1-CE1 4.23Å; I122-A568 HydrophobicContact CD1-CB 4.41Å
123	S	98.3	Very high	98.2	Very high	12 Å²	12	45.3 Å²	45.3	8%	0.084	25%	0.246	C	C	.	.	H	α-helix	trans	-58.4	-47.4	-168.1	-175.4	0	0	0	0	113.5	S120 F127	S120-S123 WeakPolarHBondContact OG-CB 3.4Å; S120-S123 PolarHBondContact OG-N 3Å; S123-F127 WeakPolarHBondContact O-CD2 3.16Å; S123-F127 PolarHBondContact O-N 3.24Å
124	G	98.2	Very high	98.2	Very high	33 Å²	33	46.4 Å²	46.4	34%	0.34	25%	0.249	S	C	.	.	H	α-helix	trans	-60.9	-61.1	176.5	0	0	0	0	0	112.9	I122 W126 F127 D128	I122-G124 PolarHBondContact O-N 3.19Å; G124-W126 PolarHBondContact O-N 2.91Å; G124-W126 VanDerWaalsContact O-N 3.13Å; G124-F127 PolarHBondContact O-N 3.02Å; G124-D128 PolarHBondContact O-N 2.64Å
125	P	98.5	Very high	98.2	Very high	20 Å²	20	44.5 Å²	44.5	13%	0.13	25%	0.245	C	C	.	.	H	α-helix	trans	-51.8	-35.1	176.6	-31.1	37.2	0	0	0	114.6	I122 M129 F567 Y571	I122-P125 WeakPolarHBondContact O-CD 3.38Å; P125-M129 PolarHBondContact O-N 2.71Å; P125-F567 HydrophobicContact CB-CE1 3.72Å; P125-F567 HydrophobicContact CB-CZ 4.49Å; P125-Y571 HydrophobicContact CB-CD1 3.92Å; P125-Y571 HydrophobicContact CB-CD2 3.97Å; P125-Y571 HydrophobicContact CB-CE1 4.21Å; P125-Y571 HydrophobicContact CB-CE2 4.26Å; P125-Y571 HydrophobicContact CB-CG 3.8Å; P125-Y571 HydrophobicContact CG-CD1 3.7Å; P125-Y571 HydrophobicContact CG-CE1 3.85Å; P125-Y571 HydrophobicContact CG-CG 4.12Å
126	W	98	Very high	98.2	Very high	19 Å²	19	42 Å²	42	7%	0.072	22%	0.222	C	C	.	.	H	α-helix	trans	-74.5	-37.4	178.6	-157.2	-116.2	0	0	0	112.6	I122 G124 M129 Y130 R508 F567	I122-W126 HydrophobicContact CG1-CB 4.36Å; I122-W126 VanDerWaalsContact O-CB 3.26Å; I122-W126 WeakPolarHBondContact O-CB 3.38Å; I122-W126 PolarHBondContact O-N 3.05Å; G124-W126 PolarHBondContact O-N 2.91Å; G124-W126 VanDerWaalsContact O-N 3.13Å; W126-M129 HydrophobicContact CD2-CE 4.05Å; W126-M129 HydrophobicContact CE3-CE 3.78Å; W126-M129 HydrophobicContact CE3-SD 4.15Å; W126-M129 HydrophobicContact CH2-CE 3.62Å; W126-M129 HydrophobicContact CH2-SD 4.35Å; W126-M129 HydrophobicContact CZ2-CE 3.9Å; W126-M129 HydrophobicContact CZ3-CE 3.56Å; W126-M129 HydrophobicContact CZ3-SD 3.83Å; W126-Y130 HydrophobicContact CD2-CE2 4.4Å; W126-Y130 AromaticContact CE2-CE2 3.83Å; W126-Y130 HydrophobicContact CZ2-CE2 4.16Å; W126-Y130 AromaticContact NE1-CE2 3.67Å; W126-Y130 WeakPolarHBondContact O-CD2 3.5Å; W126-R508 HydrophobicContact CB-CG 4.49Å; W126-F567 HydrophobicContact CE3-CD1 4.14Å; W126-F567 AromaticContact CE3-CE1 3.93Å; W126-F567 HydrophobicContact CE3-CE1 3.93Å; W126-F567 HydrophobicContact CE3-CZ 4.31Å; W126-F567 HydrophobicContact CZ3-CD1 4.41Å; W126-F567 HydrophobicContact CZ3-CE1 4.48Å
127	F	98.3	Very high	98.2	Very high	48 Å²	48	38.9 Å²	38.9	21%	0.211	21%	0.206	C	C	.	.	H	α-helix	trans	-63.6	-45.7	167.9	-80.8	-61.2	0	0	0	111.7	S123 G124 M129 Y130 L131 L244 S383 W384 R508	S123-F127 WeakPolarHBondContact O-CD2 3.16Å; S123-F127 PolarHBondContact O-N 3.24Å; G124-F127 PolarHBondContact O-N 3.02Å; F127-M129 VanDerWaalsContact C-N 3.25Å; F127-M129 PolarHBondContact O-N 3.48Å; F127-Y130 PolarHBondContact O-N 2.7Å; F127-L131 HydrophobicContact CB-CD1 4.47Å; F127-L131 WeakPolarHBondContact O-CB 3.32Å; F127-L131 WeakPolarHBondContact O-CG 3.39Å; F127-L131 PolarHBondContact O-N 3.27Å; F127-L244 HydrophobicContact CD1-CD1 4.31Å; F127-L244 HydrophobicContact CE1-CD1 4.3Å; F127-S383 WeakPolarHBondContact CD1-O 3.39Å; F127-S383 VanDerWaalsContact CE1-O 3.22Å; F127-S383 WeakPolarHBondContact CE1-O 3.44Å; F127-W384 WeakPolarHBondContact CE1-O 3.13Å; F127-R508 VanDerWaalsContact CD1-NH1 3.32Å; F127-R508 VanDerWaalsContact CE2-NH1 3.3Å
128	D	98.1	Very high	98.3	Very high	31 Å²	31	32.9 Å²	32.9	17%	0.166	18%	0.18	C	C	.	.	H	α-helix	trans	-60.9	-34.3	-179.7	-80.8	-41.8	0	0	0	112.2	G124 S132 R241 Y571	G124-D128 PolarHBondContact O-N 2.64Å; D128-S132 WeakPolarHBondContact O-CB 3.23Å; D128-S132 PolarHBondContact O-N 3.5Å; D128-S132 PolarHBondContact O-OG 2.88Å; D128-R241 VanDerWaalsContact OD1-CD 3.24Å; D128-R241 WeakPolarHBondContact OD1-CD 3.41Å; D128-R241 IonicContact OD1-CZ 2.65Å; D128-R241 IonicContact OD1-NE 3.72Å; D128-R241 IonicContact OD1-NH1 2.72Å; D128-R241 PolarHBondContact OD1-NH1 3.34Å; D128-Y571 HydrophobicContact CB-CE2 4.16Å; D128-Y571 PolarHBondContact OD2-OH 3.15Å; D128-Y571 VanDerWaalsContact OD2-OH 3.11Å
129	M	97.8	Very high	98.3	Very high	67 Å²	67	27.1 Å²	27.1	33%	0.33	15%	0.154	S	C	.	.	H	α-helix	trans	-58.7	-58.6	173.7	-171	-176.8	71	0	0	112.4	P125 W126 F127 L131 S132 A133 F567	P125-M129 PolarHBondContact O-N 2.71Å; W126-M129 HydrophobicContact CD2-CE 4.05Å; W126-M129 HydrophobicContact CE3-CE 3.78Å; W126-M129 HydrophobicContact CE3-SD 4.15Å; W126-M129 HydrophobicContact CH2-CE 3.62Å; W126-M129 HydrophobicContact CH2-SD 4.35Å; W126-M129 HydrophobicContact CZ2-CE 3.9Å; W126-M129 HydrophobicContact CZ3-CE 3.56Å; W126-M129 HydrophobicContact CZ3-SD 3.83Å; F127-M129 VanDerWaalsContact C-N 3.25Å; F127-M129 PolarHBondContact O-N 3.48Å; M129-L131 PolarHBondContact O-N 2.79Å; M129-S132 PolarHBondContact O-N 2.91Å; M129-A133 PolarHBondContact O-N 3.35Å; M129-F567 HydrophobicContact CB-CZ 4.05Å; M129-F567 HydrophobicContact CG-CE2 4.39Å; M129-F567 HydrophobicContact CG-CZ 4.35Å; M129-F567 HydrophobicContact SD-CE2 3.83Å; M129-F567 HydrophobicContact SD-CZ 4.06Å
130	Y	98	Very high	98.3	Very high	31 Å²	31	28.5 Å²	28.5	12%	0.122	16%	0.16	C	C	.	.	H	α-helix	trans	-70	-32.5	-176.5	-72.3	-77.1	0	0	0	113.4	W126 F127 F141 R235	W126-Y130 HydrophobicContact CD2-CE2 4.4Å; W126-Y130 AromaticContact CE2-CE2 3.83Å; W126-Y130 HydrophobicContact CZ2-CE2 4.16Å; W126-Y130 AromaticContact NE1-CE2 3.67Å; W126-Y130 WeakPolarHBondContact O-CD2 3.5Å; F127-Y130 PolarHBondContact O-N 2.7Å; Y130-F141 AromaticContact CD1-CD1 3.97Å; Y130-F141 HydrophobicContact CD1-CD1 3.97Å; Y130-F141 HydrophobicContact CD1-CE1 4.35Å; Y130-F141 HydrophobicContact CD1-CG 4.4Å; Y130-F141 AromaticContact CE1-CD1 3.96Å; Y130-F141 HydrophobicContact CE1-CD1 3.96Å; Y130-F141 HydrophobicContact CE1-CE1 4.44Å; Y130-R235 PolarHBondContact O-NH1 2.87Å; Y130-R235 PolarHBondContact O-NH2 2.86Å
131	L	98.6	Very high	98.3	Very high	16 Å²	16	30.2 Å²	30.2	8%	0.084	17%	0.167	C	C	.	.	H	α-helix	trans	-76.5	-30.2	178	-66.3	174.1	0	0	0	112.4	F127 M129 R134 R241 D242 L244 S383	F127-L131 HydrophobicContact CB-CD1 4.47Å; F127-L131 WeakPolarHBondContact O-CB 3.32Å; F127-L131 WeakPolarHBondContact O-CG 3.39Å; F127-L131 PolarHBondContact O-N 3.27Å; M129-L131 PolarHBondContact O-N 2.79Å; L131-R134 PolarHBondContact O-NH2 3.28Å; L131-R241 HydrophobicContact CB-CG 3.74Å; L131-R241 WeakPolarHBondContact O-CA 3.48Å; L131-D242 HydrophobicContact CD2-CB 4.06Å; L131-D242 PolarHBondContact O-N 3.22Å; L131-L244 HydrophobicContact CD1-CD1 4.17Å; L131-L244 HydrophobicContact CD1-CG 4.19Å; L131-L244 HydrophobicContact CD2-CD1 4.29Å; L131-L244 HydrophobicContact CD2-CD2 4.08Å; L131-L244 HydrophobicContact CD2-CG 3.81Å; L131-S383 WeakPolarHBondContact CD2-OG 3.36Å
132	S	98.3	Very high	98.2	Very high	50 Å²	50	29.4 Å²	29.4	35%	0.35	16%	0.164	S	C	.	.	H	α-helix	trans	-85.5	-19.1	176.4	-46.9	0	0	0	0	113.1	D128 M129 R134 G240 R241	D128-S132 WeakPolarHBondContact O-CB 3.23Å; D128-S132 PolarHBondContact O-N 3.5Å; D128-S132 PolarHBondContact O-OG 2.88Å; M129-S132 PolarHBondContact O-N 2.91Å; S132-R134 PolarHBondContact O-N 3.04Å; S132-R134 PolarHBondContact O-NE 3.43Å; S132-G240 WeakPolarHBondContact CA-O 3.45Å; S132-R241 WeakPolarHBondContact OG-CG 3.37Å
133	A	97.9	Very high	98.2	Very high	21 Å²	21	30.2 Å²	30.2	17%	0.174	17%	0.169	C	C	.	.			trans	-52.2	137.2	169.2	0	0	0	0	0	111	M129 F141	M129-A133 PolarHBondContact O-N 3.35Å; A133-F141 HydrophobicContact CB-CE2 3.83Å; A133-F141 HydrophobicContact CB-CZ 3.67Å
134	R	98.4	Very high	98.2	Very high	39 Å²	39	29.7 Å²	29.7	15%	0.147	17%	0.165	C	C	.	.			trans	-107.8	-12.9	-172.3	-61.3	-64.5	85.3	-157.6	-5.1	113.2	L131 S132 K238 G240 D242 N305 R306 D307	L131-R134 PolarHBondContact O-NH2 3.28Å; S132-R134 PolarHBondContact O-N 3.04Å; S132-R134 PolarHBondContact O-NE 3.43Å; R134-K238 PolarHBondContact NH1-O 3.4Å; R134-G240 PolarHBondContact NE-O 2.96Å; R134-D242 IonicContact CZ-OD1 3Å; R134-D242 IonicContact NH1-OD1 3.61Å; R134-D242 PolarHBondContact NH1-OD1 2.89Å; R134-D242 IonicContact NH2-OD1 2.8Å; R134-D242 PolarHBondContact NH2-OD1 2.91Å; R134-D242 IonicContact NH2-OD2 2.77Å; R134-N305 CarbonylContact O-C 3.58Å; R134-N305 WeakPolarHBondContact O-CA 3.4Å; R134-N305 VanDerWaalsContact O-CG 3.28Å; R134-N305 PolarHBondContact O-ND2 3.25Å; R134-R306 PolarHBondContact O-N 2.99Å; R134-D307 VanDerWaalsContact CD-CG 3.43Å; R134-D307 WeakPolarHBondContact CD-OD1 3.24Å; R134-D307 WeakPolarHBondContact CD-OD2 3.17Å; R134-D307 IonicContact CZ-OD1 3.1Å; R134-D307 IonicContact NE-OD1 2.72Å; R134-D307 IonicContact NH1-OD1 3.26Å; R134-D307 PolarHBondContact NH1-OD1 3.05Å
135	D	98.3	Very high	98.1	Very high	91 Å²	91	28.3 Å²	28.3	49%	0.487	15%	0.15	S	C	.	.	S	Bend	trans	-65.7	162.9	177.3	-47.2	-85.3	0	0	0	111.9	F141 R306	D135-F141 HydrophobicContact CB-CE2 4.29Å; D135-F141 HydrophobicContact CB-CZ 4.48Å; D135-R306 WeakPolarHBondContact O-CD 3.47Å; D135-R306 WeakPolarHBondContact O-CG 3.31Å
136	S	98.6	Very high	98	Very high	23 Å²	23	27.5 Å²	27.5	16%	0.161	15%	0.145	C	C	.	.			trans	-57.8	140.7	174.5	-175.7	0	0	0	0	111	V138 N140 S303	S136-V138 PolarHBondContact O-N 2.71Å; S136-V138 PolarHBondContact OG-N 3.25Å; S136-V138 VanDerWaalsContact OG-N 3.15Å; S136-N140 WeakPolarHBondContact O-CB 3.41Å; S136-N140 PolarHBondContact O-ND2 3.01Å; S136-S303 VanDerWaalsContact CB-O 3.24Å; S136-S303 WeakPolarHBondContact CB-O 3.44Å; S136-S303 PolarHBondContact OG-O 2.95Å
137	V	98.6	Very high	97.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.141	C	C	.	.	S	Bend	trans	-67.6	-25	170	-67.6	0	0	0	0	112.2	F141 N142 T302	V137-F141 PolarHBondContact O-N 3.43Å; V137-N142 WeakPolarHBondContact O-CB 3.46Å; V137-N142 PolarHBondContact O-N 3.1Å; V137-N142 PolarHBondContact O-OD1 2.63Å; V137-T302 WeakPolarHBondContact CG2-O 3.45Å
138	V	98.6	Very high	97.7	Very high	6 Å²	6	26.8 Å²	26.8	4%	0.036	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	139.7	177	-167.6	0	0	0	0	109.7	S136 N140 H354 Y362 F444	S136-V138 PolarHBondContact O-N 2.71Å; S136-V138 PolarHBondContact OG-N 3.25Å; S136-V138 VanDerWaalsContact OG-N 3.15Å; V138-N140 PolarHBondContact O-N 3.16Å; V138-N140 PolarHBondContact O-ND2 3.03Å; V138-H354 HydrophobicContact CG1-CB 3.77Å; V138-Y362 HydrophobicContact CG1-CE1 4.36Å; V138-Y362 HydrophobicContact CG2-CD1 3.7Å; V138-Y362 HydrophobicContact CG2-CD2 3.36Å; V138-Y362 HydrophobicContact CG2-CE1 3.86Å; V138-Y362 HydrophobicContact CG2-CE2 3.58Å; V138-Y362 HydrophobicContact CG2-CG 3.43Å; V138-Y362 VanDerWaalsContact CG2-CG 3.43Å; V138-F444 HydrophobicContact CG1-CE2 4.12Å
139	L	98.1	Very high	97.5	Very high	7 Å²	7	28.7 Å²	28.7	4%	0.037	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	-56.6	-173.3	-48.9	-168.9	0	0	0	114	F141 L353 H354 A447 L451 A613 Y638	L139-F141 PolarHBondContact O-N 3.3Å; L139-L353 HydrophobicContact CD2-CD2 4.03Å; L139-L353 HydrophobicContact CD2-CG 4.13Å; L139-H354 HydrophobicContact CD2-CB 4.19Å; L139-A447 HydrophobicContact CD1-CB 4.47Å; L139-L451 HydrophobicContact CD1-CD2 4.39Å; L139-L451 HydrophobicContact CD2-CD2 3.84Å; L139-A613 HydrophobicContact CB-CB 3.61Å; L139-A613 HydrophobicContact CD2-CB 4.28Å; L139-A613 HydrophobicContact CG-CB 4.41Å; L139-A613 VanDerWaalsContact O-CB 3.3Å; L139-A613 WeakPolarHBondContact O-CB 3.32Å; L139-Y638 WeakPolarHBondContact CB-OH 3.4Å; L139-Y638 HydrophobicContact CD1-CE1 4.21Å
140	N	97.8	Very high	97.5	Very high	60 Å²	60	26 Å²	26	32%	0.321	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-33	-171	-51.5	-63.7	0	0	0	113.6	S136 V138	S136-N140 WeakPolarHBondContact O-CB 3.41Å; S136-N140 PolarHBondContact O-ND2 3.01Å; V138-N140 PolarHBondContact O-N 3.16Å; V138-N140 PolarHBondContact O-ND2 3.03Å
141	F	97.8	Very high	97.4	Very high	41 Å²	41	29.8 Å²	29.8	18%	0.18	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.4	-49	-174.3	-53.4	-50.3	0	0	0	114	Y130 A133 D135 V137 L139 P143 H382	Y130-F141 AromaticContact CD1-CD1 3.97Å; Y130-F141 HydrophobicContact CD1-CD1 3.97Å; Y130-F141 HydrophobicContact CD1-CE1 4.35Å; Y130-F141 HydrophobicContact CD1-CG 4.4Å; Y130-F141 AromaticContact CE1-CD1 3.96Å; Y130-F141 HydrophobicContact CE1-CD1 3.96Å; Y130-F141 HydrophobicContact CE1-CE1 4.44Å; A133-F141 HydrophobicContact CB-CE2 3.83Å; A133-F141 HydrophobicContact CB-CZ 3.67Å; D135-F141 HydrophobicContact CB-CE2 4.29Å; D135-F141 HydrophobicContact CB-CZ 4.48Å; V137-F141 PolarHBondContact O-N 3.43Å; L139-F141 PolarHBondContact O-N 3.3Å; F141-P143 VanDerWaalsContact O-CD 3.27Å; F141-P143 WeakPolarHBondContact O-CD 3.42Å; F141-H382 HydrophobicContact CB-CB 4.29Å; F141-H382 WeakPolarHBondContact O-CB 3.27Å; F141-H382 PolarHBondContact O-CD2 3.49Å
142	N	98.6	Very high	97.3	Very high	1 Å²	1	33 Å²	33	1%	0.005	19%	0.186	C	C	.	.			trans	-74.7	118.7	-172.5	-70.8	17	0	0	0	111.8	V137 L353 Y362 F380 E381 H382	V137-N142 WeakPolarHBondContact O-CB 3.46Å; V137-N142 PolarHBondContact O-N 3.1Å; V137-N142 PolarHBondContact O-OD1 2.63Å; N142-L353 WeakPolarHBondContact O-CD1 3.46Å; N142-Y362 PolarHBondContact ND2-O 3.2Å; N142-F380 WeakPolarHBondContact CA-O 3.42Å; N142-F380 WeakPolarHBondContact CB-O 3.42Å; N142-F380 VanDerWaalsContact CG-O 3.24Å; N142-E381 WeakPolarHBondContact OD1-CA 3.42Å; N142-H382 PolarHBondContact OD1-N 2.8Å
143	P	98.1	Very high	97.2	Very high	18 Å²	18	36.3 Å²	36.3	12%	0.117	20%	0.204	C	C	.	.			trans	-93.9	179.5	173.3	40.9	-35.8	0	0	0	111.2	F141 F380 G611 F612	F141-P143 VanDerWaalsContact O-CD 3.27Å; F141-P143 WeakPolarHBondContact O-CD 3.42Å; P143-F380 WeakPolarHBondContact CD-O 3.33Å; P143-F380 HydrophobicContact CG-CD1 4.16Å; P143-F380 HydrophobicContact CG-CD2 4.25Å; P143-F380 HydrophobicContact CG-CE1 3.6Å; P143-F380 HydrophobicContact CG-CE2 3.69Å; P143-F380 HydrophobicContact CG-CG 4.48Å; P143-F380 HydrophobicContact CG-CZ 3.35Å; P143-F380 PolarHBondContact O-N 3.47Å; P143-G611 WeakPolarHBondContact CA-O 3.29Å; P143-G611 WeakPolarHBondContact CB-O 3.36Å; P143-F612 HydrophobicContact CB-CB 4.01Å
144	F	98	Very high	97.1	Very high	1 Å²	1	40.2 Å²	40.2	0%	0.004	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	157.2	165.9	80.2	-85.3	0	0	0	113	S146 M352 L353 I378 L609 G610 G611	F144-S146 WeakPolarHBondContact CE2-OG 3.12Å; F144-M352 HydrophobicContact CB-CB 4.07Å; F144-M352 WeakPolarHBondContact CB-O 3.18Å; F144-M352 HydrophobicContact CD1-CB 4.39Å; F144-M352 HydrophobicContact CD2-CB 3.52Å; F144-M352 HydrophobicContact CD2-CG 4.45Å; F144-M352 HydrophobicContact CE2-CB 4.07Å; F144-M352 HydrophobicContact CG-CB 3.72Å; F144-L353 HydrophobicContact CD1-CB 3.67Å; F144-L353 HydrophobicContact CD1-CD1 4.15Å; F144-L353 HydrophobicContact CD1-CG 4.46Å; F144-L353 HydrophobicContact CE1-CB 4.04Å; F144-I378 CarbonylContact C-O 3.55Å; F144-I378 WeakPolarHBondContact CA-O 3.32Å; F144-L609 HydrophobicContact CZ-CD2 4.46Å; F144-G610 WeakPolarHBondContact O-CA 3.29Å; F144-G611 WeakPolarHBondContact CD1-O 3.29Å; F144-G611 VanDerWaalsContact CE1-CA 3.43Å; F144-G611 PolarHBondContact N-O 2.97Å; F144-G611 PolarHBondContact O-N 3.36Å; F144-G611 VanDerWaalsContact O-N 3.1Å
145	M	96.8	Very high	97.1	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.02	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	114.2	168.3	-56.1	-171.2	-64.1	0	0	109.4	A377 I378 F380 V390 L391 Q394 L602	M145-A377 CarbonylContact O-C 3.51Å; M145-A377 WeakPolarHBondContact O-CA 3.41Å; M145-I378 PolarHBondContact N-O 3.47Å; M145-I378 PolarHBondContact O-N 3.38Å; M145-F380 HydrophobicContact CE-CE1 3.91Å; M145-F380 HydrophobicContact CG-CE1 4.24Å; M145-F380 HydrophobicContact SD-CE1 4.39Å; M145-V390 HydrophobicContact CE-CB 3.88Å; M145-V390 HydrophobicContact CE-CG1 3.55Å; M145-L391 HydrophobicContact CE-CB 4.49Å; M145-Q394 VanDerWaalsContact CB-OE1 3.26Å; M145-L602 HydrophobicContact CG-CD1 3.75Å; M145-L602 HydrophobicContact SD-CD1 3.68Å; M145-L602 HydrophobicContact SD-CD2 3.88Å; M145-L602 HydrophobicContact SD-CG 4.39Å
146	S	95.5	Very high	97	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.021	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	141.5	175.2	-66	0	0	0	0	111.1	F144 I348 Q394 V607 S608 L609	F144-S146 WeakPolarHBondContact CE2-OG 3.12Å; S146-I348 WeakPolarHBondContact OG-CG2 3.41Å; S146-Q394 PolarHBondContact O-NE2 2.72Å; S146-Q394 VanDerWaalsContact O-NE2 3.11Å; S146-V607 WeakPolarHBondContact O-CA 3.27Å; S146-S608 WeakPolarHBondContact CB-OG 3.41Å; S146-S608 PolarHBondContact O-N 3.42Å; S146-S608 PolarHBondContact O-OG 2.9Å; S146-L609 PolarHBondContact N-O 2.88Å
147	F	96.6	Very high	97	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	151.7	169.6	-69.8	-92.3	0	0	0	110.6	M165 A376 I378 Q394 V397 F398 A606 S608	F147-M165 HydrophobicContact CB-CE 4.35Å; F147-M165 HydrophobicContact CD1-CE 4.03Å; F147-M165 HydrophobicContact CD2-CE 3.78Å; F147-M165 HydrophobicContact CE1-CE 4.16Å; F147-M165 HydrophobicContact CE2-CE 3.94Å; F147-M165 HydrophobicContact CE2-SD 4.42Å; F147-M165 HydrophobicContact CG-CE 3.82Å; F147-M165 HydrophobicContact CZ-CE 4.12Å; F147-A376 HydrophobicContact CB-CB 4.44Å; F147-A376 HydrophobicContact CD2-CB 3.96Å; F147-A376 PolarHBondContact N-O 2.87Å; F147-I378 HydrophobicContact CE2-CD1 4.21Å; F147-I378 HydrophobicContact CE2-CG1 3.69Å; F147-I378 HydrophobicContact CZ-CD1 4.01Å; F147-I378 HydrophobicContact CZ-CG1 4Å; F147-Q394 HydrophobicContact CD1-CG 3.72Å; F147-Q394 HydrophobicContact CE1-CB 4.37Å; F147-Q394 HydrophobicContact CE1-CG 3.37Å; F147-Q394 HydrophobicContact CE2-CG 4.37Å; F147-Q394 HydrophobicContact CG-CG 4.38Å; F147-Q394 HydrophobicContact CZ-CG 3.75Å; F147-V397 HydrophobicContact CE1-CG1 4.36Å; F147-V397 HydrophobicContact CZ-CG1 4.34Å; F147-F398 HydrophobicContact CD1-CB 3.94Å; F147-F398 HydrophobicContact CD1-CD2 4.01Å; F147-F398 HydrophobicContact CD1-CG 4.37Å; F147-F398 HydrophobicContact CE1-CB 4.09Å; F147-A606 CarbonylContact C-O 3.59Å; F147-A606 VanDerWaalsContact CA-O 3.3Å; F147-A606 WeakPolarHBondContact CA-O 3.35Å; F147-S608 VanDerWaalsContact C-OG 3.24Å; F147-S608 WeakPolarHBondContact O-CB 3.41Å; F147-S608 PolarHBondContact O-OG 3.37Å
148	N	93.8	Very high	97	Very high	53 Å²	53	40.8 Å²	40.8	28%	0.283	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-62	156	155.8	-77	-50.8	0	0	0	110.1	R161 F398 P605 A606 V607 S608	N148-R161 PolarHBondContact O-NH2 3.4Å; N148-F398 HydrophobicContact CB-CE2 3.98Å; N148-F398 HydrophobicContact CB-CZ 3.82Å; N148-F398 WeakPolarHBondContact O-CE2 3.02Å; N148-P605 PolarHBondContact ND2-O 2.83Å; N148-A606 PolarHBondContact N-O 3.47Å; N148-V607 PolarHBondContact ND2-O 3.38Å; N148-S608 VanDerWaalsContact OD1-CA 3.3Å; N148-S608 WeakPolarHBondContact OD1-CA 3.43Å; N148-S608 VanDerWaalsContact OD1-CB 3.24Å; N148-S608 WeakPolarHBondContact OD1-CB 3.47Å
149	T	94.4	Very high	96.9	Very high	71 Å²	71	41.2 Å²	41.2	44%	0.436	22%	0.219	S	C	.	.	P	Polyproline II helix	trans	-64.1	158.4	171.2	46.7	0	0	0	0	111	N156	T149-N156 WeakPolarHBondContact CB-OD1 3.46Å
150	D	96.5	Very high	96.9	Very high	11 Å²	11	40.9 Å²	40.9	6%	0.059	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-63.8	130.9	164.5	-166.5	-57.1	0	0	0	108.2	K152 N156 T402	D150-K152 PolarHBondContact O-N 3.4Å; D150-K152 VanDerWaalsContact O-N 3.1Å; D150-K152 WeakPolarHBondContact OD1-CB 3.08Å; D150-K152 PolarHBondContact OD1-N 3.43Å; D150-N156 PolarHBondContact N-OD1 3.22Å; D150-N156 PolarHBondContact O-ND2 2.9Å; D150-T402 HydrophobicContact CB-CG2 4.42Å
151	P	95.9	Very high	97	Very high	109 Å²	109	38.6 Å²	38.6	71%	0.708	21%	0.205	S	C	*	.	S	Bend	trans	-56.9	-20.2	176.7	-26.7	35.7	0	0	0	114.7
152	K	96.9	Very high	97	Very high	84 Å²	84	36.6 Å²	36.6	37%	0.365	20%	0.196	S	C	.	.	S	Bend	trans	-95.5	105.7	172.4	-58.9	167.7	-165	138.1	0	108.4	D150 E154 Y155 N156 T402	D150-K152 PolarHBondContact O-N 3.4Å; D150-K152 VanDerWaalsContact O-N 3.1Å; D150-K152 WeakPolarHBondContact OD1-CB 3.08Å; D150-K152 PolarHBondContact OD1-N 3.43Å; K152-E154 PolarHBondContact O-N 3.17Å; K152-Y155 HydrophobicContact CB-CD2 3.51Å; K152-Y155 HydrophobicContact CB-CE2 4.13Å; K152-Y155 HydrophobicContact CB-CG 4.35Å; K152-Y155 HydrophobicContact CD-CD2 3.74Å; K152-Y155 HydrophobicContact CD-CE2 3.62Å; K152-Y155 HydrophobicContact CG-CD2 4.29Å; K152-Y155 PolarHBondContact O-N 3.14Å; K152-N156 PolarHBondContact O-ND2 3.37Å; K152-T402 PolarHBondContact NZ-O 3.02Å
153	T	95.8	Very high	97	Very high	119 Å²	119	36.6 Å²	36.6	73%	0.73	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-48.8	-42.3	-172.7	-52.7	0	0	0	0	112.7	Y155 N156	T153-Y155 VanDerWaalsContact C-N 3.27Å; T153-Y155 PolarHBondContact O-N 3.43Å; T153-N156 WeakPolarHBondContact O-CB 3.21Å; T153-N156 PolarHBondContact O-N 3.02Å; T153-N156 PolarHBondContact O-ND2 3.47Å; T153-N156 VanDerWaalsContact O-ND2 3.11Å
154	E	96.3	Very high	97	Very high	104 Å²	104	35.9 Å²	35.9	49%	0.486	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-62.4	-25	-178.8	67.8	-81.2	-170.6	0	0	114.6	K152 N156 E157 P409	K152-E154 PolarHBondContact O-N 3.17Å; E154-N156 PolarHBondContact O-N 3.2Å; E154-E157 PolarHBondContact O-N 2.87Å; E154-P409 HydrophobicContact CB-CB 4.37Å; E154-P409 HydrophobicContact CB-CG 3.97Å; E154-P409 HydrophobicContact CG-CB 4.41Å; E154-P409 HydrophobicContact CG-CG 3.75Å; E154-P409 VanDerWaalsContact O-CG 3.26Å; E154-P409 WeakPolarHBondContact O-CG 3.36Å
155	Y	97.9	Very high	97.1	Very high	31 Å²	31	35.9 Å²	35.9	12%	0.122	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-78	-5.6	175.5	-74.6	-102.6	0	0	0	113.2	K152 T153 E157 V160 R161 P405 H408 P409	K152-Y155 HydrophobicContact CB-CD2 3.51Å; K152-Y155 HydrophobicContact CB-CE2 4.13Å; K152-Y155 HydrophobicContact CB-CG 4.35Å; K152-Y155 HydrophobicContact CD-CD2 3.74Å; K152-Y155 HydrophobicContact CD-CE2 3.62Å; K152-Y155 HydrophobicContact CG-CD2 4.29Å; K152-Y155 PolarHBondContact O-N 3.14Å; T153-Y155 VanDerWaalsContact C-N 3.27Å; T153-Y155 PolarHBondContact O-N 3.43Å; Y155-E157 VanDerWaalsContact C-N 3.32Å; Y155-V160 HydrophobicContact CD1-CG1 4.27Å; Y155-R161 WeakPolarHBondContact O-CB 3.4Å; Y155-P405 HydrophobicContact CD1-CB 3.99Å; Y155-P405 HydrophobicContact CD1-CG 4.07Å; Y155-P405 HydrophobicContact CE1-CB 3.68Å; Y155-P405 HydrophobicContact CE1-CG 3.48Å; Y155-P405 VanDerWaalsContact CE1-CG 3.48Å; Y155-H408 HydrophobicContact CE1-CB 4.43Å; Y155-H408 AromaticContact CE1-ND1 3.73Å; Y155-H408 AromaticContact CZ-ND1 3.76Å; Y155-H408 PolarHBondContact OH-ND1 2.99Å; Y155-P409 HydrophobicContact CD2-CG 4.1Å; Y155-P409 HydrophobicContact CE2-CG 4.17Å; Y155-P409 HydrophobicContact CG-CG 4.27Å
156	N	97.5	Very high	97.2	Very high	20 Å²	20	35.7 Å²	35.7	11%	0.107	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-86.6	5.6	173.5	-57	-86.5	0	0	0	113	T149 D150 K152 T153 E154 Q158 R161 G374	T149-N156 WeakPolarHBondContact CB-OD1 3.46Å; D150-N156 PolarHBondContact N-OD1 3.22Å; D150-N156 PolarHBondContact O-ND2 2.9Å; K152-N156 PolarHBondContact O-ND2 3.37Å; T153-N156 WeakPolarHBondContact O-CB 3.21Å; T153-N156 PolarHBondContact O-N 3.02Å; T153-N156 PolarHBondContact O-ND2 3.47Å; T153-N156 VanDerWaalsContact O-ND2 3.11Å; E154-N156 PolarHBondContact O-N 3.2Å; N156-Q158 PolarHBondContact O-N 2.88Å; N156-R161 PolarHBondContact OD1-NH1 3.09Å; N156-G374 WeakPolarHBondContact O-CA 3.49Å
157	E	97.3	Very high	97.3	Very high	95 Å²	95	35.6 Å²	35.6	44%	0.444	19%	0.189	S	C	.	.	S	Bend	trans	-57.7	125.6	166.3	-170.3	-158	135.8	0	0	109.9	E154 Y155 L159 V160 R161	E154-E157 PolarHBondContact O-N 2.87Å; Y155-E157 VanDerWaalsContact C-N 3.32Å; E157-L159 VanDerWaalsContact C-N 3.26Å; E157-L159 PolarHBondContact O-N 2.97Å; E157-L159 VanDerWaalsContact O-N 3.09Å; E157-V160 HydrophobicContact CB-CB 4.2Å; E157-V160 HydrophobicContact CB-CG2 4.05Å; E157-V160 HydrophobicContact CG-CG2 4.48Å; E157-V160 PolarHBondContact O-N 3.12Å; E157-R161 WeakPolarHBondContact O-CB 3.41Å; E157-R161 PolarHBondContact O-N 2.81Å
158	Q	98.1	Very high	97.4	Very high	18 Å²	18	35.6 Å²	35.6	8%	0.084	19%	0.19	C	C	.	.	H	α-helix	trans	-49.7	-42.4	-172.3	-177.1	179	42.9	0	0	113.6	N156 S162 L337 D338 I370 A371	N156-Q158 PolarHBondContact O-N 2.88Å; Q158-S162 WeakPolarHBondContact O-CB 3.45Å; Q158-S162 PolarHBondContact O-N 3.42Å; Q158-S162 PolarHBondContact O-OG 3.02Å; Q158-L337 HydrophobicContact CG-CD2 4.44Å; Q158-D338 PolarHBondContact NE2-O 2.71Å; Q158-I370 HydrophobicContact CG-CG2 4.1Å; Q158-I370 PolarHBondContact NE2-O 2.85Å; Q158-A371 WeakPolarHBondContact CG-O 3.49Å; Q158-A371 PolarHBondContact NE2-O 2.98Å
159	L	98.1	Very high	97.6	Very high	15 Å²	15	33.1 Å²	33.1	8%	0.079	18%	0.176	C	C	.	.	H	α-helix	trans	-69.1	-46.3	179.2	172.5	60.1	0	0	0	112.3	E157 S162 T163 H280 L283 K284 L287	E157-L159 VanDerWaalsContact C-N 3.26Å; E157-L159 PolarHBondContact O-N 2.97Å; E157-L159 VanDerWaalsContact O-N 3.09Å; L159-S162 WeakPolarHBondContact CA-OG 3.34Å; L159-S162 PolarHBondContact O-OG 2.99Å; L159-S162 VanDerWaalsContact O-OG 3.05Å; L159-T163 WeakPolarHBondContact O-CB 3.49Å; L159-T163 PolarHBondContact O-N 3.11Å; L159-T163 PolarHBondContact O-OG1 3.33Å; L159-H280 VanDerWaalsContact CG-CE1 3.45Å; L159-H280 WeakPolarHBondContact CG-CE1 3.48Å; L159-L283 HydrophobicContact CD1-CB 3.79Å; L159-K284 HydrophobicContact CD1-CB 4.01Å; L159-K284 HydrophobicContact CD2-CB 3.81Å; L159-K284 HydrophobicContact CD2-CD 4.05Å; L159-K284 HydrophobicContact CD2-CG 3.93Å; L159-L287 HydrophobicContact CB-CD1 3.81Å; L159-L287 HydrophobicContact CD1-CD1 4.05Å; L159-L287 HydrophobicContact CG-CD1 4.43Å
160	V	98.3	Very high	97.8	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.006	16%	0.155	C	C	.	.	H	α-helix	trans	-61.6	-48.3	176.5	177.4	0	0	0	0	110.2	Y155 E157 T163 N164 P409	Y155-V160 HydrophobicContact CD1-CG1 4.27Å; E157-V160 HydrophobicContact CB-CB 4.2Å; E157-V160 HydrophobicContact CB-CG2 4.05Å; E157-V160 HydrophobicContact CG-CG2 4.48Å; E157-V160 PolarHBondContact O-N 3.12Å; V160-T163 PolarHBondContact O-N 2.93Å; V160-N164 PolarHBondContact O-N 3.05Å; V160-N164 PolarHBondContact O-ND2 2.69Å; V160-P409 HydrophobicContact CG1-CG 4.3Å; V160-P409 HydrophobicContact CG2-CG 4.47Å
161	R	98.4	Very high	97.9	Very high	11 Å²	11	29.6 Å²	29.6	4%	0.042	15%	0.154	C	C	.	.	H	α-helix	trans	-65.3	-44.7	-177.9	-157.1	177.2	-167.4	-178.1	3.7	112.4	N148 Y155 N156 E157 T163 N164 M165 G374	N148-R161 PolarHBondContact O-NH2 3.4Å; Y155-R161 WeakPolarHBondContact O-CB 3.4Å; N156-R161 PolarHBondContact OD1-NH1 3.09Å; E157-R161 WeakPolarHBondContact O-CB 3.41Å; E157-R161 PolarHBondContact O-N 2.81Å; R161-T163 PolarHBondContact O-N 3.41Å; R161-N164 PolarHBondContact O-N 3Å; R161-M165 HydrophobicContact CG-CE 4.42Å; R161-M165 HydrophobicContact CG-SD 4.29Å; R161-M165 WeakPolarHBondContact O-CB 3.45Å; R161-M165 WeakPolarHBondContact O-CG 3.43Å; R161-M165 PolarHBondContact O-N 3.33Å; R161-G374 WeakPolarHBondContact CD-O 3.34Å; R161-G374 PolarHBondContact NH1-O 3.19Å
162	S	98.6	Very high	98	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62.9	-39.9	175.2	58.6	0	0	0	0	112.6	Q158 L159 V166 I370	Q158-S162 WeakPolarHBondContact O-CB 3.45Å; Q158-S162 PolarHBondContact O-N 3.42Å; Q158-S162 PolarHBondContact O-OG 3.02Å; L159-S162 WeakPolarHBondContact CA-OG 3.34Å; L159-S162 PolarHBondContact O-OG 2.99Å; L159-S162 VanDerWaalsContact O-OG 3.05Å; S162-V166 WeakPolarHBondContact O-CB 3.16Å; S162-V166 VanDerWaalsContact O-CG2 3.27Å; S162-V166 WeakPolarHBondContact O-CG2 3.15Å; S162-V166 PolarHBondContact O-N 3.41Å; S162-I370 VanDerWaalsContact CA-CD1 3.44Å
163	T	98.6	Very high	98.1	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-62.1	-49.7	176.3	-51.4	0	0	0	0	111.3	L159 V160 R161 V166 C167 P276 I279 H280 V407	L159-T163 WeakPolarHBondContact O-CB 3.49Å; L159-T163 PolarHBondContact O-N 3.11Å; L159-T163 PolarHBondContact O-OG1 3.33Å; V160-T163 PolarHBondContact O-N 2.93Å; R161-T163 PolarHBondContact O-N 3.41Å; T163-V166 PolarHBondContact O-N 2.91Å; T163-C167 PolarHBondContact O-N 2.64Å; T163-C167 PolarHBondContact O-SG 2.87Å; T163-P276 WeakPolarHBondContact CG2-O 3.45Å; T163-I279 HydrophobicContact CG2-CG2 4.28Å; T163-H280 HydrophobicContact CG2-CB 3.86Å; T163-H280 PolarHBondContact OG1-ND1 2.92Å; T163-V407 HydrophobicContact CG2-CB 4.16Å; T163-V407 HydrophobicContact CG2-CG2 3.64Å
164	N	98.4	Very high	98.2	Very high	4 Å²	4	14.9 Å²	14.9	2%	0.021	7%	0.069	C	C	.	.	H	α-helix	trans	-62.6	-47.4	178.7	-77	-43.5	0	0	0	111.7	V160 R161 V166 C167 S168 T401 L406 V407	V160-N164 PolarHBondContact O-N 3.05Å; V160-N164 PolarHBondContact O-ND2 2.69Å; R161-N164 PolarHBondContact O-N 3Å; N164-V166 VanDerWaalsContact C-N 3.33Å; N164-V166 PolarHBondContact O-N 2.98Å; N164-C167 PolarHBondContact O-N 3.46Å; N164-C167 VanDerWaalsContact O-N 3.15Å; N164-S168 WeakPolarHBondContact O-CB 3.48Å; N164-S168 PolarHBondContact O-N 3.03Å; N164-S168 PolarHBondContact O-OG 3.29Å; N164-T401 HydrophobicContact CB-CG2 3.99Å; N164-L406 PolarHBondContact OD1-N 2.71Å; N164-V407 PolarHBondContact ND2-O 2.74Å; N164-V407 PolarHBondContact OD1-N 2.81Å; N164-V407 PolarHBondContact OD1-O 2.54Å
165	M	98.6	Very high	98.3	Very high	1 Å²	1	9.9 Å²	9.9	1%	0.005	5%	0.046	C	C	.	.	H	α-helix	trans	-61.1	-38	178.2	-76.3	-176.7	162.8	0	0	112.9	F147 R161 A169 I368 I370 A376 T401	F147-M165 HydrophobicContact CB-CE 4.35Å; F147-M165 HydrophobicContact CD1-CE 4.03Å; F147-M165 HydrophobicContact CD2-CE 3.78Å; F147-M165 HydrophobicContact CE1-CE 4.16Å; F147-M165 HydrophobicContact CE2-CE 3.94Å; F147-M165 HydrophobicContact CE2-SD 4.42Å; F147-M165 HydrophobicContact CG-CE 3.82Å; F147-M165 HydrophobicContact CZ-CE 4.12Å; R161-M165 HydrophobicContact CG-CE 4.42Å; R161-M165 HydrophobicContact CG-SD 4.29Å; R161-M165 WeakPolarHBondContact O-CB 3.45Å; R161-M165 WeakPolarHBondContact O-CG 3.43Å; R161-M165 PolarHBondContact O-N 3.33Å; M165-A169 WeakPolarHBondContact O-CB 3.24Å; M165-A169 PolarHBondContact O-N 2.95Å; M165-I368 HydrophobicContact SD-CG2 4.18Å; M165-I370 HydrophobicContact CB-CD1 4.3Å; M165-I370 HydrophobicContact CG-CD1 4.5Å; M165-I370 HydrophobicContact SD-CD1 3.66Å; M165-I370 HydrophobicContact SD-CG1 4.24Å; M165-A376 HydrophobicContact CE-CB 3.73Å; M165-A376 HydrophobicContact SD-CB 3.86Å; M165-T401 HydrophobicContact CG-CG2 4.07Å
166	V	98.8	Very high	98.3	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-64.1	-47.2	172.9	168.6	0	0	0	0	111.3	S162 T163 N164 A169 V170 L253 V266 I279 L283 F333 L335	S162-V166 WeakPolarHBondContact O-CB 3.16Å; S162-V166 VanDerWaalsContact O-CG2 3.27Å; S162-V166 WeakPolarHBondContact O-CG2 3.15Å; S162-V166 PolarHBondContact O-N 3.41Å; T163-V166 PolarHBondContact O-N 2.91Å; N164-V166 VanDerWaalsContact C-N 3.33Å; N164-V166 PolarHBondContact O-N 2.98Å; V166-A169 PolarHBondContact O-N 3.36Å; V166-V170 WeakPolarHBondContact O-CG2 3.48Å; V166-V170 PolarHBondContact O-N 3.39Å; V166-L253 HydrophobicContact CG1-CD2 4Å; V166-L253 HydrophobicContact CG2-CD2 3.63Å; V166-V266 HydrophobicContact CG1-CG1 3.95Å; V166-I279 HydrophobicContact CB-CG2 4.41Å; V166-I279 HydrophobicContact CG1-CD1 4.37Å; V166-I279 HydrophobicContact CG1-CG2 3.91Å; V166-L283 HydrophobicContact CG2-CD1 4.44Å; V166-F333 HydrophobicContact CG2-CZ 4.2Å; V166-L335 HydrophobicContact CG2-CD2 3.86Å
167	C	98.3	Very high	98.3	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-64.4	-45.1	-178.5	-64.6	0	0	0	0	111.9	T163 N164 V170 R171 L273 L406	T163-C167 PolarHBondContact O-N 2.64Å; T163-C167 PolarHBondContact O-SG 2.87Å; N164-C167 PolarHBondContact O-N 3.46Å; N164-C167 VanDerWaalsContact O-N 3.15Å; C167-V170 PolarHBondContact O-N 3.01Å; C167-R171 WeakPolarHBondContact O-CB 3.26Å; C167-R171 WeakPolarHBondContact O-CG 3.36Å; C167-R171 PolarHBondContact O-N 3.21Å; C167-L273 HydrophobicContact CB-CD2 4.19Å; C167-L406 HydrophobicContact CB-CD1 3.95Å
168	S	98.6	Very high	98.2	Very high	1 Å²	1	8.5 Å²	8.5	1%	0.007	4%	0.043	C	C	.	.	H	α-helix	trans	-66.1	-35.8	176.2	-61.2	0	0	0	0	112.4	N164 R171 F172 D400 T401	N164-S168 WeakPolarHBondContact O-CB 3.48Å; N164-S168 PolarHBondContact O-N 3.03Å; N164-S168 PolarHBondContact O-OG 3.29Å; S168-R171 PolarHBondContact O-N 3.06Å; S168-F172 PolarHBondContact O-N 3.26Å; S168-D400 VanDerWaalsContact CB-OD2 3.25Å; S168-D400 WeakPolarHBondContact CB-OD2 3.39Å; S168-D400 PolarHBondContact OG-OD2 3.21Å; S168-T401 VanDerWaalsContact OG-CG2 3.29Å; S168-T401 WeakPolarHBondContact OG-CG2 3.37Å
169	A	98.7	Very high	98.2	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-66	-39.7	173.8	0	0	0	0	0	112.7	M165 V166 F172 M173 F333 I368 F393	M165-A169 WeakPolarHBondContact O-CB 3.24Å; M165-A169 PolarHBondContact O-N 2.95Å; V166-A169 PolarHBondContact O-N 3.36Å; A169-F172 WeakPolarHBondContact O-CB 3.16Å; A169-F172 PolarHBondContact O-N 3.48Å; A169-M173 PolarHBondContact O-N 3.14Å; A169-F333 HydrophobicContact CB-CD1 4.48Å; A169-F333 HydrophobicContact CB-CE1 3.64Å; A169-F333 HydrophobicContact CB-CZ 3.74Å; A169-I368 HydrophobicContact CB-CD1 4.32Å; A169-F393 HydrophobicContact CB-CE2 3.77Å; A169-F393 HydrophobicContact CB-CZ 3.73Å
170	V	98.4	Very high	98.2	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-69	-38.9	174.4	174.3	0	0	0	0	111.3	V166 C167 M173 K174 V266 V267 L273 L332	V166-V170 WeakPolarHBondContact O-CG2 3.48Å; V166-V170 PolarHBondContact O-N 3.39Å; C167-V170 PolarHBondContact O-N 3.01Å; V170-M173 WeakPolarHBondContact O-CB 3.48Å; V170-M173 PolarHBondContact O-N 3.14Å; V170-K174 HydrophobicContact CG1-CD 3.97Å; V170-K174 WeakPolarHBondContact O-CG 3.24Å; V170-K174 PolarHBondContact O-N 2.72Å; V170-V266 HydrophobicContact CG2-CB 4.09Å; V170-V266 HydrophobicContact CG2-CG2 3.76Å; V170-V267 HydrophobicContact CG1-CG2 3.89Å; V170-L273 HydrophobicContact CB-CD1 3.99Å; V170-L273 HydrophobicContact CG1-CD1 3.76Å; V170-L332 HydrophobicContact CG2-CD2 3.91Å
171	R	98.4	Very high	98.2	Very high	9 Å²	9	9.9 Å²	9.9	3%	0.034	6%	0.057	C	C	.	.	H	α-helix	trans	-63.5	-39.3	172.5	-73.7	168.7	65.4	-144.6	-11.5	111.8	V42 Y44 L45 C167 S168 K174 T175 L273 D400	V42-R171 VanDerWaalsContact O-CD 3.25Å; V42-R171 WeakPolarHBondContact O-CD 3.46Å; V42-R171 PolarHBondContact O-NE 3.47Å; Y44-R171 PolarHBondContact O-NE 3.17Å; Y44-R171 VanDerWaalsContact O-NE 3.13Å; Y44-R171 PolarHBondContact O-NH2 2.99Å; L45-R171 HydrophobicContact CD2-CB 3.54Å; L45-R171 HydrophobicContact CG-CB 4.05Å; C167-R171 WeakPolarHBondContact O-CB 3.26Å; C167-R171 WeakPolarHBondContact O-CG 3.36Å; C167-R171 PolarHBondContact O-N 3.21Å; S168-R171 PolarHBondContact O-N 3.06Å; R171-K174 PolarHBondContact O-N 2.96Å; R171-T175 VanDerWaalsContact O-CB 3.3Å; R171-T175 WeakPolarHBondContact O-CB 2.9Å; R171-T175 PolarHBondContact O-N 2.9Å; R171-T175 PolarHBondContact O-OG1 2.83Å; R171-L273 HydrophobicContact CG-CD2 4.07Å; R171-D400 IonicContact CZ-OD1 3.04Å; R171-D400 IonicContact CZ-OD2 3.16Å; R171-D400 IonicContact NH1-OD1 3.89Å; R171-D400 PolarHBondContact NH1-OD1 2.63Å; R171-D400 IonicContact NH1-OD2 2.9Å; R171-D400 PolarHBondContact NH1-OD2 2.84Å; R171-D400 IonicContact NH2-OD1 3.76Å; R171-D400 PolarHBondContact NH2-OD1 2.65Å; R171-D400 IonicContact NH2-OD2 2.75Å
172	F	98.6	Very high	98.1	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-58.5	-50.1	170.8	-173.2	-79.3	0	0	0	111	L45 S168 A169 K174 T175 L176 L181 L230 F231 R392 F393 E396 V397	L45-F172 HydrophobicContact CD1-CB 3.75Å; L45-F172 HydrophobicContact CD1-CD2 3.72Å; L45-F172 HydrophobicContact CD1-CG 4.16Å; L45-F172 HydrophobicContact CG-CB 4.48Å; S168-F172 PolarHBondContact O-N 3.26Å; A169-F172 WeakPolarHBondContact O-CB 3.16Å; A169-F172 PolarHBondContact O-N 3.48Å; F172-K174 VanDerWaalsContact C-N 3.31Å; F172-K174 PolarHBondContact O-N 3.28Å; F172-T175 PolarHBondContact O-N 3Å; F172-L176 HydrophobicContact CE1-CB 4.4Å; F172-L176 HydrophobicContact CE1-CD2 4.2Å; F172-L176 WeakPolarHBondContact O-CB 3.42Å; F172-L176 PolarHBondContact O-N 3.2Å; F172-L181 HydrophobicContact CD2-CD1 4.39Å; F172-L181 HydrophobicContact CE1-CD2 4.42Å; F172-L181 HydrophobicContact CE2-CD1 3.92Å; F172-L181 HydrophobicContact CE2-CD2 4.27Å; F172-L181 HydrophobicContact CZ-CD1 4.3Å; F172-L181 HydrophobicContact CZ-CD2 3.83Å; F172-L230 HydrophobicContact CE1-CD1 3.7Å; F172-L230 HydrophobicContact CZ-CD1 4.26Å; F172-F231 HydrophobicContact CB-CZ 4.47Å; F172-F231 AromaticContact CD1-CE2 3.63Å; F172-F231 HydrophobicContact CD1-CE2 3.63Å; F172-F231 AromaticContact CD1-CZ 3.73Å; F172-F231 HydrophobicContact CD1-CZ 3.73Å; F172-F231 HydrophobicContact CE1-CE2 4.06Å; F172-F231 HydrophobicContact CE1-CZ 4.48Å; F172-F231 HydrophobicContact CG-CZ 4.49Å; F172-R392 HydrophobicContact CE2-CG 4.31Å; F172-R392 HydrophobicContact CZ-CG 4.36Å; F172-F393 HydrophobicContact CB-CD2 4.18Å; F172-F393 HydrophobicContact CB-CE2 4.34Å; F172-F393 AromaticContact CD1-CD2 3.79Å; F172-F393 HydrophobicContact CD1-CD2 3.79Å; F172-F393 HydrophobicContact CD2-CD2 4.14Å; F172-F393 HydrophobicContact CE1-CB 4.35Å; F172-F393 HydrophobicContact CE1-CD2 4.17Å; F172-F393 HydrophobicContact CE2-CB 4.21Å; F172-F393 AromaticContact CG-CD2 3.77Å; F172-F393 HydrophobicContact CG-CD2 3.77Å; F172-F393 HydrophobicContact CG-CE2 4.41Å; F172-F393 HydrophobicContact CZ-CB 4.06Å; F172-E396 HydrophobicContact CD2-CB 3.78Å; F172-E396 HydrophobicContact CD2-CG 4.36Å; F172-E396 HydrophobicContact CE2-CB 3.91Å; F172-E396 HydrophobicContact CE2-CG 4.02Å; F172-V397 HydrophobicContact CB-CG2 4.49Å
173	M	98.4	Very high	98.1	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.005	7%	0.072	C	C	.	.	H	α-helix	trans	-57.6	-44.3	178.9	-173.6	-168.2	68.6	0	0	111.6	A169 V170 L176 R177 F231 V267 L332	A169-M173 PolarHBondContact O-N 3.14Å; V170-M173 WeakPolarHBondContact O-CB 3.48Å; V170-M173 PolarHBondContact O-N 3.14Å; M173-L176 PolarHBondContact O-N 3.47Å; M173-R177 HydrophobicContact CG-CG 4.43Å; M173-R177 WeakPolarHBondContact O-CB 3.3Å; M173-R177 WeakPolarHBondContact O-CG 3.48Å; M173-R177 PolarHBondContact O-N 2.89Å; M173-R177 VanDerWaalsContact SD-CZ 3.54Å; M173-F231 HydrophobicContact CB-CD1 3.89Å; M173-F231 HydrophobicContact CB-CD2 3.88Å; M173-F231 HydrophobicContact CB-CE1 3.83Å; M173-F231 HydrophobicContact CB-CE2 3.84Å; M173-F231 HydrophobicContact CB-CG 3.91Å; M173-F231 HydrophobicContact CB-CZ 3.81Å; M173-F231 HydrophobicContact CG-CB 3.98Å; M173-F231 HydrophobicContact CG-CD1 3.99Å; M173-F231 HydrophobicContact CG-CD2 3.7Å; M173-F231 HydrophobicContact CG-CE1 4.43Å; M173-F231 HydrophobicContact CG-CE2 4.18Å; M173-F231 HydrophobicContact CG-CG 3.59Å; M173-F231 HydrophobicContact SD-CB 3.85Å; M173-F231 HydrophobicContact SD-CD1 4.12Å; M173-F231 HydrophobicContact SD-CG 3.94Å; M173-V267 HydrophobicContact CE-CG2 3.94Å; M173-L332 HydrophobicContact CE-CD2 3.59Å; M173-L332 HydrophobicContact CE-CG 4.31Å; M173-L332 HydrophobicContact SD-CD2 3.58Å; M173-L332 VanDerWaalsContact SD-CD2 3.58Å; M173-L332 HydrophobicContact SD-CG 3.83Å
174	K	97.7	Very high	98	Very high	1 Å²	1	14.4 Å²	14.4	0%	0.004	8%	0.08	C	C	.	.	H	α-helix	trans	-66.5	-44.7	178.2	-75.8	166	56	64.6	0	111.7	D43 Y44 V170 R171 F172 L176 R177 A178 G271	D43-K174 VanDerWaalsContact CG-NZ 3.3Å; D43-K174 WeakPolarHBondContact O-CE 3.49Å; D43-K174 WeakPolarHBondContact OD1-CE 3.37Å; D43-K174 IonicContact OD1-NZ 2.71Å; D43-K174 WeakPolarHBondContact OD2-CE 3.28Å; D43-K174 IonicContact OD2-NZ 3.13Å; D43-K174 PolarHBondContact OD2-NZ 3.45Å; Y44-K174 HydrophobicContact CD1-CB 4.08Å; Y44-K174 HydrophobicContact CE1-CB 3.97Å; V170-K174 HydrophobicContact CG1-CD 3.97Å; V170-K174 WeakPolarHBondContact O-CG 3.24Å; V170-K174 PolarHBondContact O-N 2.72Å; R171-K174 PolarHBondContact O-N 2.96Å; F172-K174 VanDerWaalsContact C-N 3.31Å; F172-K174 PolarHBondContact O-N 3.28Å; K174-L176 VanDerWaalsContact C-N 3.35Å; K174-L176 PolarHBondContact O-N 3.43Å; K174-R177 PolarHBondContact O-N 3.43Å; K174-A178 VanDerWaalsContact O-CB 3.24Å; K174-A178 WeakPolarHBondContact O-CB 3.35Å; K174-A178 PolarHBondContact O-N 3.44Å; K174-G271 PolarHBondContact NZ-O 2.94Å
175	T	98.4	Very high	98	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-59.8	-42.2	174.8	-74.2	0	0	0	0	111.6	Y44 L45 R171 F172 G179 L180 L181	Y44-T175 WeakPolarHBondContact CA-OG1 3.48Å; Y44-T175 WeakPolarHBondContact CB-OG1 3.3Å; L45-T175 PolarHBondContact N-OG1 3.01Å; R171-T175 VanDerWaalsContact O-CB 3.3Å; R171-T175 WeakPolarHBondContact O-CB 2.9Å; R171-T175 PolarHBondContact O-N 2.9Å; R171-T175 PolarHBondContact O-OG1 2.83Å; F172-T175 PolarHBondContact O-N 3Å; T175-G179 PolarHBondContact O-N 3.02Å; T175-L180 HydrophobicContact CG2-CB 4.27Å; T175-L180 CarbonylContact O-C 3.58Å; T175-L180 WeakPolarHBondContact O-CA 3.49Å; T175-L180 PolarHBondContact O-N 3.22Å; T175-L181 VanDerWaalsContact CG2-CA 3.48Å; T175-L181 HydrophobicContact CG2-CB 3.85Å; T175-L181 HydrophobicContact CG2-CD1 4Å; T175-L181 VanDerWaalsContact CG2-N 3.34Å; T175-L181 PolarHBondContact O-N 3.43Å; T175-L181 VanDerWaalsContact O-N 3.08Å
176	L	97.9	Very high	97.8	Very high	17 Å²	17	21 Å²	21	9%	0.089	11%	0.111	C	C	.	.	H	α-helix	trans	-65.3	-49	173.9	176.4	63.3	0	0	0	112.4	M53 F172 M173 K174 A178 G179 L181 Y227	M53-L176 HydrophobicContact CE-CD1 4.27Å; F172-L176 HydrophobicContact CE1-CB 4.4Å; F172-L176 HydrophobicContact CE1-CD2 4.2Å; F172-L176 WeakPolarHBondContact O-CB 3.42Å; F172-L176 PolarHBondContact O-N 3.2Å; M173-L176 PolarHBondContact O-N 3.47Å; K174-L176 VanDerWaalsContact C-N 3.35Å; K174-L176 PolarHBondContact O-N 3.43Å; L176-A178 PolarHBondContact O-N 3.48Å; L176-G179 PolarHBondContact O-N 2.93Å; L176-L181 HydrophobicContact CD1-CD2 3.99Å; L176-Y227 HydrophobicContact CD1-CD1 4.45Å
177	R	96.9	Very high	97.5	Very high	64 Å²	64	23.1 Å²	23.1	24%	0.242	12%	0.12	C	C	.	.	H	α-helix	trans	-70.8	-27.8	-176.7	-72.6	-175.8	-177.7	-179.1	6.4	113.8	Y34 M173 K174 G179 N232 D248	Y34-R177 HydrophobicContact CD2-CB 3.82Å; Y34-R177 HydrophobicContact CE2-CB 4.08Å; Y34-R177 HydrophobicContact CE2-CG 4.39Å; Y34-R177 HydrophobicContact CG-CB 4.24Å; Y34-R177 PolarHBondContact OH-NH1 3.19Å; M173-R177 HydrophobicContact CG-CG 4.43Å; M173-R177 WeakPolarHBondContact O-CB 3.3Å; M173-R177 WeakPolarHBondContact O-CG 3.48Å; M173-R177 PolarHBondContact O-N 2.89Å; M173-R177 VanDerWaalsContact SD-CZ 3.54Å; K174-R177 PolarHBondContact O-N 3.43Å; R177-G179 PolarHBondContact O-N 3.27Å; R177-N232 PolarHBondContact NH1-OD1 3.12Å; R177-N232 PolarHBondContact NH2-OD1 2.65Å; R177-D248 PolarHBondContact NH1-O 3.31Å; R177-D248 VanDerWaalsContact NH1-O 3.1Å
178	A	96.8	Very high	96.9	Very high	35 Å²	35	28.2 Å²	28.2	29%	0.289	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-7.7	170.8	0	0	0	0	0	113.3	Y44 K174 L176 L180	Y44-A178 HydrophobicContact CE1-CB 3.77Å; K174-A178 VanDerWaalsContact O-CB 3.24Å; K174-A178 WeakPolarHBondContact O-CB 3.35Å; K174-A178 PolarHBondContact O-N 3.44Å; L176-A178 PolarHBondContact O-N 3.48Å; A178-L180 VanDerWaalsContact C-N 3.27Å; A178-L180 HydrophobicContact CB-CB 4.35Å; A178-L180 HydrophobicContact CB-CD1 3.69Å; A178-L180 HydrophobicContact CB-CG 3.77Å
179	G	97.3	Very high	96.5	Very high	24 Å²	24	31.2 Å²	31.2	25%	0.247	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	20.4	-174.3	0	0	0	0	0	113.8	P51 S52 T175 L176 R177	P51-G179 WeakPolarHBondContact CA-O 3.4Å; S52-G179 PolarHBondContact N-O 2.88Å; S52-G179 WeakPolarHBondContact OG-CA 3.21Å; S52-G179 PolarHBondContact OG-O 2.78Å; T175-G179 PolarHBondContact O-N 3.02Å; L176-G179 PolarHBondContact O-N 2.93Å; R177-G179 PolarHBondContact O-N 3.27Å
180	L	97.8	Very high	96	Very high	39 Å²	39	34.5 Å²	34.5	20%	0.204	18%	0.184	C	C	.	.			trans	-97.6	-10	-174.8	-67.7	176.9	0	0	0	113.7	Y44 Q47 S48 T175 A178	Y44-L180 HydrophobicContact CD1-CD1 4.09Å; Y44-L180 HydrophobicContact CD2-CD1 4.2Å; Y44-L180 HydrophobicContact CE1-CD1 3.94Å; Y44-L180 HydrophobicContact CE2-CD1 4.05Å; Y44-L180 HydrophobicContact CG-CD1 4.21Å; Q47-L180 HydrophobicContact CB-CD2 4.43Å; Q47-L180 HydrophobicContact CG-CD1 4.33Å; S48-L180 WeakPolarHBondContact CB-O 3.19Å; S48-L180 PolarHBondContact N-O 2.7Å; T175-L180 HydrophobicContact CG2-CB 4.27Å; T175-L180 CarbonylContact O-C 3.58Å; T175-L180 WeakPolarHBondContact O-CA 3.49Å; T175-L180 PolarHBondContact O-N 3.22Å; A178-L180 VanDerWaalsContact C-N 3.27Å; A178-L180 HydrophobicContact CB-CB 4.35Å; A178-L180 HydrophobicContact CB-CD1 3.69Å; A178-L180 HydrophobicContact CB-CG 3.77Å
181	L	98.1	Very high	95.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.219	C	C	.	.	S	Bend	trans	-64.3	133.1	171.8	-171.2	70.9	0	0	0	108.9	H46 S52 F172 T175 L176 M224 Y227	H46-L181 WeakPolarHBondContact NE2-CD1 3.45Å; S52-L181 VanDerWaalsContact CA-O 3.31Å; S52-L181 WeakPolarHBondContact CA-O 3.46Å; S52-L181 VanDerWaalsContact CB-O 3.24Å; S52-L181 WeakPolarHBondContact CB-O 3.49Å; S52-L181 WeakPolarHBondContact OG-CB 3.28Å; S52-L181 PolarHBondContact OG-N 3.47Å; S52-L181 VanDerWaalsContact OG-N 3.13Å; S52-L181 PolarHBondContact OG-O 2.78Å; F172-L181 HydrophobicContact CD2-CD1 4.39Å; F172-L181 HydrophobicContact CE1-CD2 4.42Å; F172-L181 HydrophobicContact CE2-CD1 3.92Å; F172-L181 HydrophobicContact CE2-CD2 4.27Å; F172-L181 HydrophobicContact CZ-CD1 4.3Å; F172-L181 HydrophobicContact CZ-CD2 3.83Å; T175-L181 VanDerWaalsContact CG2-CA 3.48Å; T175-L181 HydrophobicContact CG2-CB 3.85Å; T175-L181 HydrophobicContact CG2-CD1 4Å; T175-L181 VanDerWaalsContact CG2-N 3.34Å; T175-L181 PolarHBondContact O-N 3.43Å; T175-L181 VanDerWaalsContact O-N 3.08Å; L176-L181 HydrophobicContact CD1-CD2 3.99Å; L181-M224 HydrophobicContact CD2-CE 4.05Å; L181-Y227 HydrophobicContact CD2-CD1 4.35Å; L181-Y227 HydrophobicContact CD2-CE1 4.44Å
182	E	97.8	Very high	95.3	Very high	55 Å²	55	45.4 Å²	45.4	26%	0.257	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-57	131.6	173.5	-56.2	-119.1	93.2	0	0	109.5	S48 K199 R392	S48-E182 WeakPolarHBondContact CB-OE1 3.33Å; S48-E182 PolarHBondContact OG-OE1 3.11Å; E182-K199 IonicContact OE1-NZ 2.71Å; E182-K199 PolarHBondContact OE1-NZ 2.86Å; E182-K199 IonicContact OE2-NZ 3.64Å; E182-K199 PolarHBondContact OE2-NZ 3.32Å; E182-R392 PolarHBondContact O-NH1 3.21Å; E182-R392 PolarHBondContact O-NH2 3.08Å
183	P	97.9	Very high	94.9	Very high	16 Å²	16	45.5 Å²	45.5	10%	0.104	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-53.9	144.6	177.7	-23.3	31.1	0	0	0	111.7	V50 S52 Y55 V185	V50-P183 HydrophobicContact CB-CG 4.2Å; V50-P183 HydrophobicContact CG1-CG 3.83Å; S52-P183 WeakPolarHBondContact O-CB 3.34Å; Y55-P183 HydrophobicContact CD2-CB 3.69Å; Y55-P183 HydrophobicContact CD2-CG 4.18Å; Y55-P183 HydrophobicContact CE2-CB 3.71Å; Y55-P183 HydrophobicContact CE2-CG 3.93Å; P183-V185 HydrophobicContact CB-CG2 4.31Å; P183-V185 PolarHBondContact O-N 3.26Å
184	E	97.3	Very high	94.8	Very high	36 Å²	36	48.9 Å²	48.9	17%	0.168	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-71.1	121.5	175.3	-153.5	72.3	-126.9	0	0	110.1	P221 L222 M224 Y227 R392	E184-P221 WeakPolarHBondContact O-CA 3.49Å; E184-L222 HydrophobicContact CB-CB 4.18Å; E184-L222 HydrophobicContact CG-CB 4.28Å; E184-L222 HydrophobicContact CG-CD1 3.91Å; E184-L222 HydrophobicContact CG-CG 4.36Å; E184-L222 PolarHBondContact O-N 3.34Å; E184-M224 HydrophobicContact CB-CE 4.25Å; E184-M224 HydrophobicContact CB-CG 3.98Å; E184-M224 HydrophobicContact CB-SD 4Å; E184-M224 PolarHBondContact N-SD 2.96Å; E184-Y227 VanDerWaalsContact CG-OH 3.25Å; E184-Y227 WeakPolarHBondContact CG-OH 3.36Å; E184-Y227 PolarHBondContact OE2-OH 2.97Å; E184-R392 IonicContact OE1-NH1 3.68Å; E184-R392 WeakPolarHBondContact OE2-CB 3.25Å; E184-R392 VanDerWaalsContact OE2-CD 3.26Å; E184-R392 WeakPolarHBondContact OE2-CD 3.49Å; E184-R392 WeakPolarHBondContact OE2-CG 3.41Å; E184-R392 IonicContact OE2-CZ 2.72Å; E184-R392 IonicContact OE2-NE 3.83Å; E184-R392 IonicContact OE2-NH1 2.99Å; E184-R392 PolarHBondContact OE2-NH1 3.33Å
185	V	96.9	Very high	94.7	Very high	26 Å²	26	50.8 Å²	50.8	16%	0.158	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	128.4	-175.3	-177.6	0	0	0	0	109.9	Y55 P183 H187 A219 P221	Y55-V185 HydrophobicContact CD2-CG2 4.36Å; Y55-V185 HydrophobicContact CE2-CG2 3.88Å; P183-V185 HydrophobicContact CB-CG2 4.31Å; P183-V185 PolarHBondContact O-N 3.26Å; V185-H187 WeakPolarHBondContact CB-NE2 3.4Å; V185-H187 WeakPolarHBondContact CG1-NE2 3.26Å; V185-H187 PolarHBondContact O-CD2 3.29Å; V185-H187 VanDerWaalsContact O-CD2 3.25Å; V185-A219 HydrophobicContact CG1-CB 3.76Å; V185-P221 HydrophobicContact CG2-CB 4.3Å; V185-P221 HydrophobicContact CG2-CG 4.31Å
186	F	94.1	Very high	94.5	Very high	118 Å²	118	56.3 Å²	56.3	52%	0.518	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	120.8	169.2	176.5	-103.3	0	0	0	110.3	L188 A219 Y220 L222	F186-L188 HydrophobicContact CE1-CD2 3.63Å; F186-L188 HydrophobicContact CE1-CG 4.1Å; F186-L188 HydrophobicContact CZ-CD2 4.06Å; F186-A219 WeakPolarHBondContact O-CA 3.47Å; F186-Y220 HydrophobicContact CD1-CD2 4.13Å; F186-Y220 PolarHBondContact N-O 3.17Å; F186-Y220 PolarHBondContact O-N 3.39Å; F186-L222 HydrophobicContact CB-CD2 4.3Å
187	H	92.4	Very high	94.4	Very high	43 Å²	43	60.4 Å²	60.4	20%	0.199	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	116	-175.1	-66.6	-92.3	0	0	0	111.4	V185 N189 P190 S193	V185-H187 WeakPolarHBondContact CB-NE2 3.4Å; V185-H187 WeakPolarHBondContact CG1-NE2 3.26Å; V185-H187 PolarHBondContact O-CD2 3.29Å; V185-H187 VanDerWaalsContact O-CD2 3.25Å; H187-N189 VanDerWaalsContact C-N 3.26Å; H187-N189 PolarHBondContact O-N 2.81Å; H187-P190 HydrophobicContact CB-CB 4.38Å; H187-P190 HydrophobicContact CB-CG 3.92Å; H187-S193 PolarHBondContact CE1-O 2.83Å; H187-S193 PolarHBondContact ND1-OG 2.83Å
188	L	87	Confident	94.3	Very high	107 Å²	107	58.4 Å²	58.4	56%	0.56	33%	0.331	S	S	*	.	S	Bend	trans	-70.6	-24.2	170.6	-73.8	179.3	0	0	0	112.6	F186 N218 Y220	F186-L188 HydrophobicContact CE1-CD2 3.63Å; F186-L188 HydrophobicContact CE1-CG 4.1Å; F186-L188 HydrophobicContact CZ-CD2 4.06Å; L188-N218 HydrophobicContact CB-CB 4.15Å; L188-N218 WeakPolarHBondContact CB-O 3.36Å; L188-N218 HydrophobicContact CD1-CB 4.36Å; L188-N218 PolarHBondContact N-O 3.48Å; L188-N218 VanDerWaalsContact N-O 3.12Å; L188-Y220 HydrophobicContact CD1-CE2 3.7Å; L188-Y220 HydrophobicContact CG-CE2 3.93Å
189	N	88.8	Confident	94.3	Very high	64 Å²	64	58 Å²	58	34%	0.342	32%	0.323	S	S	.	.			trans	-143.5	89.7	171.9	-172	-21	0	0	0	110.2	H187 A191 K192 S193	H187-N189 VanDerWaalsContact C-N 3.26Å; H187-N189 PolarHBondContact O-N 2.81Å; N189-A191 VanDerWaalsContact C-N 3.29Å; N189-A191 PolarHBondContact O-N 3.3Å; N189-A191 PolarHBondContact OD1-N 2.91Å; N189-K192 PolarHBondContact O-N 2.77Å; N189-K192 VanDerWaalsContact O-N 3.17Å; N189-K192 PolarHBondContact OD1-N 3.07Å; N189-S193 PolarHBondContact O-N 3.33Å; N189-S193 VanDerWaalsContact O-N 3.17Å; N189-S193 PolarHBondContact O-OG 2.92Å
190	P	90.2	Very high	94.2	Very high	69 Å²	69	60.1 Å²	60.1	45%	0.448	33%	0.329	S	S	.	.	H	α-helix	trans	-54.6	-43	178.8	-25.6	33.3	0	0	0	112.5	H187 K192 S193 D194	H187-P190 HydrophobicContact CB-CB 4.38Å; H187-P190 HydrophobicContact CB-CG 3.92Å; P190-K192 PolarHBondContact O-N 2.74Å; P190-S193 PolarHBondContact O-N 3.5Å; P190-D194 HydrophobicContact CB-CB 4.22Å; P190-D194 WeakPolarHBondContact O-CA 3.5Å; P190-D194 PolarHBondContact O-N 2.86Å
191	A	90.8	Very high	94.2	Very high	88 Å²	88	64.3 Å²	64.3	73%	0.727	35%	0.346	S	S	*	.	H	α-helix	trans	-62	-9.6	-178.5	0	0	0	0	0	115.2	N189	N189-A191 VanDerWaalsContact C-N 3.29Å; N189-A191 PolarHBondContact O-N 3.3Å; N189-A191 PolarHBondContact OD1-N 2.91Å
192	K	90	Very high	94.1	Very high	151 Å²	151	64.3 Å²	64.3	66%	0.657	35%	0.346	S	S	*	.	H	α-helix	trans	-109.4	-29.4	168.8	-68.9	-169.2	176	-171.5	0	114.3	N189 P190	N189-K192 PolarHBondContact O-N 2.77Å; N189-K192 VanDerWaalsContact O-N 3.17Å; N189-K192 PolarHBondContact OD1-N 3.07Å; P190-K192 PolarHBondContact O-N 2.74Å
193	S	91.5	Very high	94	Very high	1 Å²	1	66.1 Å²	66.1	1%	0.007	35%	0.35	C	S	.	.	H	α-helix	trans	-118.8	-17.7	-164	58.9	0	0	0	0	114.9	H187 N189 P190 F198 V217	H187-S193 PolarHBondContact CE1-O 2.83Å; H187-S193 PolarHBondContact ND1-OG 2.83Å; N189-S193 PolarHBondContact O-N 3.33Å; N189-S193 VanDerWaalsContact O-N 3.17Å; N189-S193 PolarHBondContact O-OG 2.92Å; P190-S193 PolarHBondContact O-N 3.5Å; S193-F198 WeakPolarHBondContact O-CD1 3.22Å; S193-V217 WeakPolarHBondContact CB-O 3.3Å
194	D	94.5	Very high	94	Very high	72 Å²	72	74.5 Å²	74.5	39%	0.385	38%	0.38	S	S	.	.	S	Bend	trans	-105.3	73.3	168	-174	19.7	0	0	0	108.6	P190 K199	P190-D194 HydrophobicContact CB-CB 4.22Å; P190-D194 WeakPolarHBondContact O-CA 3.5Å; P190-D194 PolarHBondContact O-N 2.86Å; D194-K199 WeakPolarHBondContact OD1-CE 3.29Å; D194-K199 IonicContact OD1-NZ 3.76Å; D194-K199 PolarHBondContact OD1-NZ 3.44Å
195	T	95.4	Very high	94	Very high	41 Å²	41	74.2 Å²	74.2	25%	0.252	38%	0.38	S	S	.	.	S	Bend	trans	-139.6	149.1	-177.3	65.1	0	0	0	0	110.8	S197 F198 K199	T195-S197 PolarHBondContact O-N 3.5Å; T195-F198 PolarHBondContact O-N 3.37Å; T195-F198 WeakPolarHBondContact OG1-CB 3.4Å; T195-F198 PolarHBondContact OG1-N 2.92Å; T195-K199 WeakPolarHBondContact O-CG 3.4Å; T195-K199 PolarHBondContact O-N 3.4Å
196	D	95.1	Very high	94	Very high	117 Å²	117	76.6 Å²	76.6	63%	0.626	40%	0.397	S	S	*	.	H	α-helix	trans	-60.9	-31.3	177.4	-67.1	-35	0	0	0	112.6	K199 N200	D196-K199 PolarHBondContact O-N 2.73Å; D196-N200 VanDerWaalsContact O-CB 3.27Å; D196-N200 WeakPolarHBondContact O-CB 3.5Å; D196-N200 PolarHBondContact O-N 2.87Å; D196-N200 PolarHBondContact O-ND2 3.1Å
197	S	95.4	Very high	94.1	Very high	102 Å²	102	72.7 Å²	72.7	71%	0.713	38%	0.384	S	S	*	.	H	α-helix	trans	-61.8	-45.7	172.5	-56.6	0	0	0	0	111.7	T195 F201	T195-S197 PolarHBondContact O-N 3.5Å; S197-F201 PolarHBondContact O-N 3Å
198	F	95.7	Very high	94.3	Very high	22 Å²	22	74.2 Å²	74.2	10%	0.096	40%	0.399	C	S	.	.	H	α-helix	trans	-68.3	-44.6	175.1	-179.9	-102.5	0	0	0	111.7	S193 T195 N200 F201 I202 A214 V217	S193-F198 WeakPolarHBondContact O-CD1 3.22Å; T195-F198 PolarHBondContact O-N 3.37Å; T195-F198 WeakPolarHBondContact OG1-CB 3.4Å; T195-F198 PolarHBondContact OG1-N 2.92Å; F198-N200 VanDerWaalsContact C-N 3.34Å; F198-N200 PolarHBondContact O-N 3.43Å; F198-F201 PolarHBondContact O-N 3.13Å; F198-F201 VanDerWaalsContact O-N 3.16Å; F198-I202 HydrophobicContact CD1-CB 4.48Å; F198-I202 HydrophobicContact CD1-CG2 4.26Å; F198-I202 HydrophobicContact CE1-CB 3.96Å; F198-I202 HydrophobicContact CE1-CG1 4.11Å; F198-I202 HydrophobicContact CE1-CG2 3.92Å; F198-I202 HydrophobicContact CE2-CB 4.21Å; F198-I202 HydrophobicContact CE2-CD1 4.26Å; F198-I202 HydrophobicContact CE2-CG1 4.4Å; F198-I202 HydrophobicContact CZ-CB 3.79Å; F198-I202 HydrophobicContact CZ-CD1 3.87Å; F198-I202 HydrophobicContact CZ-CG1 3.71Å; F198-I202 HydrophobicContact CZ-CG2 4.28Å; F198-I202 WeakPolarHBondContact O-CB 3.46Å; F198-I202 WeakPolarHBondContact O-CG2 3.5Å; F198-I202 PolarHBondContact O-N 2.89Å; F198-A214 HydrophobicContact CZ-CB 4.26Å; F198-V217 HydrophobicContact CD2-CG1 4.15Å; F198-V217 HydrophobicContact CD2-CG2 3.97Å; F198-V217 HydrophobicContact CE1-CG2 4.33Å; F198-V217 HydrophobicContact CE2-CB 4.49Å; F198-V217 HydrophobicContact CE2-CG1 4.09Å; F198-V217 HydrophobicContact CE2-CG2 3.56Å; F198-V217 HydrophobicContact CZ-CG2 3.77Å
199	K	96.7	Very high	94.8	Very high	27 Å²	27	73.6 Å²	73.6	12%	0.117	40%	0.396	C	S	.	.	H	α-helix	trans	-60.1	-40.8	178.8	-69.9	174.7	-175.3	174	0	112.2	V49 V50 E182 D194 T195 D196 R203	V49-K199 HydrophobicContact CG2-CB 3.79Å; V50-K199 HydrophobicContact CG2-CB 3.93Å; V50-K199 HydrophobicContact CG2-CG 4.21Å; V50-K199 WeakPolarHBondContact CG2-O 3.46Å; E182-K199 IonicContact OE1-NZ 2.71Å; E182-K199 PolarHBondContact OE1-NZ 2.86Å; E182-K199 IonicContact OE2-NZ 3.64Å; E182-K199 PolarHBondContact OE2-NZ 3.32Å; D194-K199 WeakPolarHBondContact OD1-CE 3.29Å; D194-K199 IonicContact OD1-NZ 3.76Å; D194-K199 PolarHBondContact OD1-NZ 3.44Å; T195-K199 WeakPolarHBondContact O-CG 3.4Å; T195-K199 PolarHBondContact O-N 3.4Å; D196-K199 PolarHBondContact O-N 2.73Å; K199-R203 PolarHBondContact O-N 3.41Å
200	N	95.6	Very high	95.2	Very high	69 Å²	69	70.6 Å²	70.6	37%	0.369	38%	0.38	S	S	.	.	H	α-helix	trans	-74.5	-23.7	176.8	-77.6	-64.6	0	0	0	114.3	D196 F198 R203 W204	D196-N200 VanDerWaalsContact O-CB 3.27Å; D196-N200 WeakPolarHBondContact O-CB 3.5Å; D196-N200 PolarHBondContact O-N 2.87Å; D196-N200 PolarHBondContact O-ND2 3.1Å; F198-N200 VanDerWaalsContact C-N 3.34Å; F198-N200 PolarHBondContact O-N 3.43Å; N200-R203 PolarHBondContact OD1-NH1 3.43Å; N200-R203 VanDerWaalsContact OD1-NH1 3.08Å; N200-W204 PolarHBondContact O-NE1 3.4Å
201	F	96.2	Very high	95.6	Very high	127 Å²	127	68.7 Å²	68.7	56%	0.557	36%	0.364	S	S	*	.	H	α-helix	trans	-76.7	-56.2	168.7	172	-100.6	0	0	0	111.4	S197 F198 R203 W204 V205	S197-F201 PolarHBondContact O-N 3Å; F198-F201 PolarHBondContact O-N 3.13Å; F198-F201 VanDerWaalsContact O-N 3.16Å; F201-R203 VanDerWaalsContact C-N 3.28Å; F201-R203 PolarHBondContact O-N 2.88Å; F201-W204 PolarHBondContact O-N 2.96Å; F201-V205 HydrophobicContact CE1-CG2 4.09Å; F201-V205 HydrophobicContact CZ-CG2 4.31Å
202	I	97	Very high	95.9	Very high	0 Å²	0	70.9 Å²	70.9	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-63.4	-32.5	-167.1	-162.3	61	0	0	0	112.6	V50 H54 Y55 F198 W204 V205	V50-I202 HydrophobicContact CG1-CG2 4.31Å; V50-I202 HydrophobicContact CG2-CG2 3.66Å; H54-I202 PolarHBondContact CE1-O 2.81Å; H54-I202 VanDerWaalsContact CE1-O 3.31Å; H54-I202 PolarHBondContact NE2-O 3.14Å; H54-I202 VanDerWaalsContact NE2-O 3.12Å; Y55-I202 HydrophobicContact CE1-CG1 3.88Å; F198-I202 HydrophobicContact CD1-CB 4.48Å; F198-I202 HydrophobicContact CD1-CG2 4.26Å; F198-I202 HydrophobicContact CE1-CB 3.96Å; F198-I202 HydrophobicContact CE1-CG1 4.11Å; F198-I202 HydrophobicContact CE1-CG2 3.92Å; F198-I202 HydrophobicContact CE2-CB 4.21Å; F198-I202 HydrophobicContact CE2-CD1 4.26Å; F198-I202 HydrophobicContact CE2-CG1 4.4Å; F198-I202 HydrophobicContact CZ-CB 3.79Å; F198-I202 HydrophobicContact CZ-CD1 3.87Å; F198-I202 HydrophobicContact CZ-CG1 3.71Å; F198-I202 HydrophobicContact CZ-CG2 4.28Å; F198-I202 WeakPolarHBondContact O-CB 3.46Å; F198-I202 WeakPolarHBondContact O-CG2 3.5Å; F198-I202 PolarHBondContact O-N 2.89Å; I202-W204 PolarHBondContact O-N 3.43Å; I202-V205 HydrophobicContact CD1-CB 4.15Å; I202-V205 HydrophobicContact CD1-CG2 3.95Å; I202-V205 WeakPolarHBondContact O-CB 3.36Å; I202-V205 PolarHBondContact O-N 2.97Å
203	R	95.9	Very high	96.1	Very high	92 Å²	92	64 Å²	64	35%	0.347	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-25.9	178.6	74.9	-178.6	-143.9	-172.7	18.1	114.3	V49 V50 K199 N200 F201	V49-R203 WeakPolarHBondContact O-CB 3.34Å; V49-R203 WeakPolarHBondContact O-CD 3.38Å; V50-R203 HydrophobicContact CG2-CB 4.29Å; K199-R203 PolarHBondContact O-N 3.41Å; N200-R203 PolarHBondContact OD1-NH1 3.43Å; N200-R203 VanDerWaalsContact OD1-NH1 3.08Å; F201-R203 VanDerWaalsContact C-N 3.28Å; F201-R203 PolarHBondContact O-N 2.88Å
204	W	96.9	Very high	96.3	Very high	192 Å²	192	63.9 Å²	63.9	73%	0.727	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-15.2	178.9	-61.9	113.1	0	0	0	113.7	N200 F201 I202	N200-W204 PolarHBondContact O-NE1 3.4Å; F201-W204 PolarHBondContact O-N 2.96Å; I202-W204 PolarHBondContact O-N 3.43Å
205	V	97.3	Very high	96.3	Very high	30 Å²	30	65.9 Å²	65.9	18%	0.182	33%	0.328	C	S	.	.	S	Bend	trans	-71.2	129.1	174.9	-178.5	0	0	0	0	108.6	H54 F201 I202 S207 L209	H54-V205 PolarHBondContact CE1-O 3.04Å; F201-V205 HydrophobicContact CE1-CG2 4.09Å; F201-V205 HydrophobicContact CZ-CG2 4.31Å; I202-V205 HydrophobicContact CD1-CB 4.15Å; I202-V205 HydrophobicContact CD1-CG2 3.95Å; I202-V205 WeakPolarHBondContact O-CB 3.36Å; I202-V205 PolarHBondContact O-N 2.97Å; V205-S207 PolarHBondContact O-N 3.47Å; V205-L209 HydrophobicContact CG1-CB 3.97Å
206	P	97.9	Very high	96.3	Very high	77 Å²	77	70.9 Å²	70.9	50%	0.5	35%	0.35	S	S	.	.			trans	-56.6	141.3	178.9	-27.3	35.6	0	0	0	112.1	S208 L209 S210	P206-S208 PolarHBondContact O-N 2.87Å; P206-L209 PolarHBondContact O-N 2.7Å; P206-S210 PolarHBondContact O-N 3.42Å
207	S	96.3	Very high	96.2	Very high	35 Å²	35	67.2 Å²	67.2	25%	0.245	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-14.2	-177.3	-59.9	0	0	0	0	115.5	H54 K57 S58 V205 L209 S210	H54-S207 WeakPolarHBondContact O-CA 3.49Å; H54-S207 WeakPolarHBondContact O-CB 3.24Å; H54-S207 PolarHBondContact O-OG 2.85Å; K57-S207 WeakPolarHBondContact CB-O 3.46Å; S58-S207 VanDerWaalsContact CB-O 3.24Å; S58-S207 WeakPolarHBondContact CB-O 3.35Å; S58-S207 PolarHBondContact N-O 2.85Å; S58-S207 PolarHBondContact OG-O 3.39Å; V205-S207 PolarHBondContact O-N 3.47Å; S207-L209 VanDerWaalsContact C-N 3.31Å; S207-S210 WeakPolarHBondContact CA-OG 3.5Å; S207-S210 PolarHBondContact O-OG 3.17Å
208	S	96.4	Very high	96.1	Very high	75 Å²	75	66.5 Å²	66.5	52%	0.524	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-12.2	170.4	47.3	0	0	0	0	114.1	S58 P206	S58-S208 WeakPolarHBondContact CB-O 3.41Å; P206-S208 PolarHBondContact O-N 2.87Å
209	L	97.3	Very high	96.1	Very high	95 Å²	95	65.5 Å²	65.5	50%	0.497	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.4	-13.5	-179.2	-62.9	176.1	0	0	0	113.7	V205 P206 S207 W211 Y212	V205-L209 HydrophobicContact CG1-CB 3.97Å; P206-L209 PolarHBondContact O-N 2.7Å; S207-L209 VanDerWaalsContact C-N 3.31Å; L209-W211 VanDerWaalsContact C-N 3.31Å; L209-W211 PolarHBondContact O-N 3Å; L209-Y212 HydrophobicContact CD2-CD2 4.34Å; L209-Y212 HydrophobicContact CD2-CE2 4.48Å; L209-Y212 WeakPolarHBondContact O-CB 3.45Å; L209-Y212 PolarHBondContact O-N 3.03Å
210	S	97.6	Very high	96.1	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-57	-34.5	-172.4	55.1	0	0	0	0	114.8	H54 Y55 S58 P206 S207 Y212 G213 A214	H54-S210 VanDerWaalsContact CD2-CB 3.46Å; H54-S210 WeakPolarHBondContact CD2-CB 3.45Å; H54-S210 WeakPolarHBondContact NE2-CB 3.45Å; H54-S210 PolarHBondContact O-OG 2.86Å; Y55-S210 WeakPolarHBondContact CD1-OG 3.31Å; S58-S210 PolarHBondContact OG-OG 3.41Å; P206-S210 PolarHBondContact O-N 3.42Å; S207-S210 WeakPolarHBondContact CA-OG 3.5Å; S207-S210 PolarHBondContact O-OG 3.17Å; S210-Y212 VanDerWaalsContact C-N 3.3Å; S210-Y212 PolarHBondContact O-N 3.3Å; S210-G213 PolarHBondContact O-N 3.04Å; S210-G213 VanDerWaalsContact O-N 3.1Å; S210-A214 PolarHBondContact O-N 2.86Å
211	W	98.1	Very high	96.2	Very high	30 Å²	30	63.6 Å²	63.6	11%	0.114	30%	0.304	C	S	.	.	H	α-helix	trans	-58.8	-39.3	174.4	179.5	88.4	0	0	0	112.5	S58 P60 L209 G213 A214 Y215	S58-W211 VanDerWaalsContact O-CB 3.3Å; S58-W211 WeakPolarHBondContact O-CB 3.37Å; S58-W211 WeakPolarHBondContact OG-CB 3.22Å; S58-W211 PolarHBondContact OG-N 2.71Å; P60-W211 HydrophobicContact CB-CZ2 4.47Å; P60-W211 HydrophobicContact CG-CZ2 3.84Å; L209-W211 VanDerWaalsContact C-N 3.31Å; L209-W211 PolarHBondContact O-N 3Å; W211-G213 VanDerWaalsContact C-N 3.27Å; W211-G213 PolarHBondContact O-N 3.37Å; W211-A214 PolarHBondContact O-N 3.18Å; W211-Y215 HydrophobicContact CH2-CD1 4.48Å; W211-Y215 AromaticContact CH2-CD2 3.49Å; W211-Y215 HydrophobicContact CH2-CD2 3.49Å; W211-Y215 VanDerWaalsContact CH2-CD2 3.49Å; W211-Y215 HydrophobicContact CH2-CE2 4.06Å; W211-Y215 AromaticContact CH2-CG 3.74Å; W211-Y215 HydrophobicContact CH2-CG 3.74Å; W211-Y215 AromaticContact CZ2-CD2 3.71Å; W211-Y215 HydrophobicContact CZ2-CD2 3.71Å; W211-Y215 HydrophobicContact CZ2-CE2 4.45Å; W211-Y215 HydrophobicContact CZ2-CG 4.21Å; W211-Y215 HydrophobicContact CZ3-CD2 4.28Å; W211-Y215 HydrophobicContact CZ3-CG 4.06Å; W211-Y215 WeakPolarHBondContact O-CB 3.39Å; W211-Y215 PolarHBondContact O-N 2.99Å
212	Y	96.3	Very high	96.3	Very high	133 Å²	133	58.9 Å²	58.9	52%	0.522	28%	0.284	S	S	.	.	H	α-helix	trans	-65.3	-33.4	177	-59.9	-79.4	0	0	0	111.8	L209 S210 Y215 M216	L209-Y212 HydrophobicContact CD2-CD2 4.34Å; L209-Y212 HydrophobicContact CD2-CE2 4.48Å; L209-Y212 WeakPolarHBondContact O-CB 3.45Å; L209-Y212 PolarHBondContact O-N 3.03Å; S210-Y212 VanDerWaalsContact C-N 3.3Å; S210-Y212 PolarHBondContact O-N 3.3Å; Y212-Y215 PolarHBondContact O-N 3.46Å; Y212-M216 WeakPolarHBondContact O-CG 3.19Å; Y212-M216 PolarHBondContact O-N 2.95Å
213	G	95.6	Very high	96.4	Very high	6 Å²	6	59.4 Å²	59.4	6%	0.062	29%	0.287	C	S	.	.	H	α-helix	trans	-63.2	-41.1	173.5	0	0	0	0	0	113.1	S210 W211	S210-G213 PolarHBondContact O-N 3.04Å; S210-G213 VanDerWaalsContact O-N 3.1Å; W211-G213 VanDerWaalsContact C-N 3.27Å; W211-G213 PolarHBondContact O-N 3.37Å
214	A	95.7	Very high	96.5	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-69.9	-41.8	172.8	0	0	0	0	0	112.4	Y55 F198 S210 W211 M216 V217 N218 A219 P221	Y55-A214 HydrophobicContact CE1-CB 4.09Å; F198-A214 HydrophobicContact CZ-CB 4.26Å; S210-A214 PolarHBondContact O-N 2.86Å; W211-A214 PolarHBondContact O-N 3.18Å; A214-M216 VanDerWaalsContact C-N 3.3Å; A214-M216 PolarHBondContact O-N 3.32Å; A214-V217 CarbonylContact O-C 3.56Å; A214-V217 WeakPolarHBondContact O-CG2 3.39Å; A214-V217 PolarHBondContact O-N 3.18Å; A214-N218 PolarHBondContact O-N 3.4Å; A214-A219 CarbonylContact C-O 3.53Å; A214-A219 HydrophobicContact CB-CB 4.19Å; A214-A219 PolarHBondContact O-N 2.88Å; A214-A219 VanDerWaalsContact O-O 3.12Å; A214-P221 HydrophobicContact CB-CG 3.61Å
215	Y	94.8	Very high	96.6	Very high	114 Å²	114	47.9 Å²	47.9	45%	0.447	25%	0.25	S	C	.	.	H	α-helix	trans	-59.1	-39.2	178.8	-178.9	-99	0	0	0	112.5	W211 Y212 V217 N218 A219 Y220	W211-Y215 HydrophobicContact CH2-CD1 4.48Å; W211-Y215 AromaticContact CH2-CD2 3.49Å; W211-Y215 HydrophobicContact CH2-CD2 3.49Å; W211-Y215 VanDerWaalsContact CH2-CD2 3.49Å; W211-Y215 HydrophobicContact CH2-CE2 4.06Å; W211-Y215 AromaticContact CH2-CG 3.74Å; W211-Y215 HydrophobicContact CH2-CG 3.74Å; W211-Y215 AromaticContact CZ2-CD2 3.71Å; W211-Y215 HydrophobicContact CZ2-CD2 3.71Å; W211-Y215 HydrophobicContact CZ2-CE2 4.45Å; W211-Y215 HydrophobicContact CZ2-CG 4.21Å; W211-Y215 HydrophobicContact CZ3-CD2 4.28Å; W211-Y215 HydrophobicContact CZ3-CG 4.06Å; W211-Y215 WeakPolarHBondContact O-CB 3.39Å; W211-Y215 PolarHBondContact O-N 2.99Å; Y212-Y215 PolarHBondContact O-N 3.46Å; Y215-V217 PolarHBondContact O-N 2.96Å; Y215-N218 PolarHBondContact O-N 2.87Å; Y215-A219 PolarHBondContact N-O 3.29Å; Y215-Y220 HydrophobicContact CD2-CD1 4.47Å; Y215-Y220 AromaticContact CD2-CE1 3.84Å; Y215-Y220 HydrophobicContact CD2-CE1 3.84Å; Y215-Y220 AromaticContact CE2-CE1 3.93Å; Y215-Y220 HydrophobicContact CE2-CE1 3.93Å
216	M	94.2	Very high	96.6	Very high	145 Å²	145	47.5 Å²	47.5	71%	0.714	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-24.5	175.3	-75.9	-171.2	-64.7	0	0	114.2	Y212 A214	Y212-M216 WeakPolarHBondContact O-CG 3.19Å; Y212-M216 PolarHBondContact O-N 2.95Å; A214-M216 VanDerWaalsContact C-N 3.3Å; A214-M216 PolarHBondContact O-N 3.32Å
217	V	93.2	Very high	96.7	Very high	41 Å²	41	44 Å²	44	25%	0.248	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	17.4	175.3	-60.4	0	0	0	0	113	S193 F198 A214 Y215 A219	S193-V217 WeakPolarHBondContact CB-O 3.3Å; F198-V217 HydrophobicContact CD2-CG1 4.15Å; F198-V217 HydrophobicContact CD2-CG2 3.97Å; F198-V217 HydrophobicContact CE1-CG2 4.33Å; F198-V217 HydrophobicContact CE2-CB 4.49Å; F198-V217 HydrophobicContact CE2-CG1 4.09Å; F198-V217 HydrophobicContact CE2-CG2 3.56Å; F198-V217 HydrophobicContact CZ-CG2 3.77Å; A214-V217 CarbonylContact O-C 3.56Å; A214-V217 WeakPolarHBondContact O-CG2 3.39Å; A214-V217 PolarHBondContact O-N 3.18Å; Y215-V217 PolarHBondContact O-N 2.96Å; V217-A219 VanDerWaalsContact C-N 3.27Å; V217-A219 HydrophobicContact CG2-CB 4.13Å; V217-A219 PolarHBondContact O-N 3.18Å
218	N	93.4	Very high	96.8	Very high	87 Å²	87	47.5 Å²	47.5	47%	0.465	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	35.2	-177.6	-49.5	124.6	0	0	0	114	L188 A214 Y215 Y220	L188-N218 HydrophobicContact CB-CB 4.15Å; L188-N218 WeakPolarHBondContact CB-O 3.36Å; L188-N218 HydrophobicContact CD1-CB 4.36Å; L188-N218 PolarHBondContact N-O 3.48Å; L188-N218 VanDerWaalsContact N-O 3.12Å; A214-N218 PolarHBondContact O-N 3.4Å; Y215-N218 PolarHBondContact O-N 2.87Å; N218-Y220 WeakPolarHBondContact O-CE2 3.5Å
219	A	95.8	Very high	96.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	141.3	171.2	0	0	0	0	0	110.8	V185 F186 A214 Y215 V217 P221	V185-A219 HydrophobicContact CG1-CB 3.76Å; F186-A219 WeakPolarHBondContact O-CA 3.47Å; A214-A219 CarbonylContact C-O 3.53Å; A214-A219 HydrophobicContact CB-CB 4.19Å; A214-A219 PolarHBondContact O-N 2.88Å; A214-A219 VanDerWaalsContact O-O 3.12Å; Y215-A219 PolarHBondContact N-O 3.29Å; V217-A219 VanDerWaalsContact C-N 3.27Å; V217-A219 HydrophobicContact CG2-CB 4.13Å; V217-A219 PolarHBondContact O-N 3.18Å; A219-P221 WeakPolarHBondContact O-CD 3.18Å
220	Y	97	Very high	96.9	Very high	57 Å²	57	41.8 Å²	41.8	22%	0.224	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	93.1	-171.7	-59.8	-93.9	0	0	0	109.1	F186 L188 Y215 N218 L222	F186-Y220 HydrophobicContact CD1-CD2 4.13Å; F186-Y220 PolarHBondContact N-O 3.17Å; F186-Y220 PolarHBondContact O-N 3.39Å; L188-Y220 HydrophobicContact CD1-CE2 3.7Å; L188-Y220 HydrophobicContact CG-CE2 3.93Å; Y215-Y220 HydrophobicContact CD2-CD1 4.47Å; Y215-Y220 AromaticContact CD2-CE1 3.84Å; Y215-Y220 HydrophobicContact CD2-CE1 3.84Å; Y215-Y220 AromaticContact CE2-CE1 3.93Å; Y215-Y220 HydrophobicContact CE2-CE1 3.93Å; N218-Y220 WeakPolarHBondContact O-CE2 3.5Å; Y220-L222 WeakPolarHBondContact O-CD2 3.45Å
221	P	98	Very high	97	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	140.9	172.3	-25.6	34.3	0	0	0	111.9	Y55 L59 E184 V185 A214 A219	Y55-P221 VanDerWaalsContact CB-CB 3.49Å; Y55-P221 HydrophobicContact CD1-CB 4.08Å; Y55-P221 HydrophobicContact CD1-CG 3.57Å; Y55-P221 HydrophobicContact CD2-CB 3.57Å; Y55-P221 HydrophobicContact CD2-CG 3.7Å; Y55-P221 HydrophobicContact CE1-CG 3.88Å; Y55-P221 HydrophobicContact CE2-CB 4.27Å; Y55-P221 HydrophobicContact CE2-CG 4Å; Y55-P221 HydrophobicContact CG-CB 3.44Å; Y55-P221 VanDerWaalsContact CG-CB 3.44Å; Y55-P221 HydrophobicContact CG-CG 3.47Å; Y55-P221 VanDerWaalsContact CG-CG 3.47Å; L59-P221 HydrophobicContact CD2-CB 4.02Å; L59-P221 VanDerWaalsContact CD2-O 3.23Å; L59-P221 WeakPolarHBondContact CD2-O 3.46Å; E184-P221 WeakPolarHBondContact O-CA 3.49Å; V185-P221 HydrophobicContact CG2-CB 4.3Å; V185-P221 HydrophobicContact CG2-CG 4.31Å; A214-P221 HydrophobicContact CB-CG 3.61Å; A219-P221 WeakPolarHBondContact O-CD 3.18Å
222	L	98.3	Very high	97	Very high	27 Å²	27	40.4 Å²	40.4	14%	0.141	19%	0.189	C	C	.	.			trans	-106.4	158.6	-178.1	-47.8	-174.9	0	0	0	111.4	Q56 E184 F186 Y220 A502 A503	Q56-L222 PolarHBondContact NE2-O 2.87Å; E184-L222 HydrophobicContact CB-CB 4.18Å; E184-L222 HydrophobicContact CG-CB 4.28Å; E184-L222 HydrophobicContact CG-CD1 3.91Å; E184-L222 HydrophobicContact CG-CG 4.36Å; E184-L222 PolarHBondContact O-N 3.34Å; F186-L222 HydrophobicContact CB-CD2 4.3Å; Y220-L222 WeakPolarHBondContact O-CD2 3.45Å; L222-A502 CarbonylContact C-O 3.55Å; L222-A502 VanDerWaalsContact CA-O 3.25Å; L222-A502 WeakPolarHBondContact CA-O 3.34Å; L222-A502 HydrophobicContact CB-CB 4.11Å; L222-A503 HydrophobicContact CD2-CB 3.93Å
223	D	98.6	Very high	97.1	Very high	12 Å²	12	34.2 Å²	34.2	6%	0.064	17%	0.165	C	C	.	.			trans	-73.5	129.7	176.8	-165.4	-76.8	0	0	0	111.4	L59 S225 A502 K505 H506	L59-D223 HydrophobicContact CD1-CB 3.72Å; D223-S225 WeakPolarHBondContact OD1-CB 3.43Å; D223-S225 PolarHBondContact OD1-N 3.05Å; D223-S225 PolarHBondContact OD1-OG 3.44Å; D223-A502 PolarHBondContact N-O 2.91Å; D223-K505 IonicContact OD2-NZ 2.83Å; D223-K505 PolarHBondContact OD2-NZ 2.78Å; D223-H506 IonicContact OD1-CD2 2.76Å; D223-H506 IonicContact OD2-CD2 4Å; D223-H506 PolarHBondContact OD2-CD2 2.88Å; D223-H506 PolarHBondContact OD2-N 2.63Å
224	M	98.5	Very high	97.3	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	16%	0.163	C	C	.	.			trans	-114.2	14.6	-177.7	-61.3	175.4	84	0	0	112.2	S52 M53 L181 E184 Q226 Y227	S52-M224 VanDerWaalsContact O-SD 3.38Å; M53-M224 HydrophobicContact CE-CB 4.01Å; M53-M224 HydrophobicContact SD-CB 3.86Å; L181-M224 HydrophobicContact CD2-CE 4.05Å; E184-M224 HydrophobicContact CB-CE 4.25Å; E184-M224 HydrophobicContact CB-CG 3.98Å; E184-M224 HydrophobicContact CB-SD 4Å; E184-M224 PolarHBondContact N-SD 2.96Å; M224-Q226 PolarHBondContact O-N 3.17Å; M224-Q226 VanDerWaalsContact O-N 3.1Å; M224-Y227 HydrophobicContact CB-CD2 3.78Å; M224-Y227 HydrophobicContact CB-CE2 4.05Å; M224-Y227 HydrophobicContact CB-CG 4.13Å; M224-Y227 HydrophobicContact CE-CD1 3.72Å; M224-Y227 HydrophobicContact CE-CE1 3.55Å; M224-Y227 HydrophobicContact CE-CG 4.34Å; M224-Y227 HydrophobicContact CG-CD2 4.18Å; M224-Y227 HydrophobicContact CG-CE1 4.49Å; M224-Y227 HydrophobicContact CG-CE2 3.95Å; M224-Y227 WeakPolarHBondContact O-CB 3.48Å; M224-Y227 PolarHBondContact O-N 3.47Å
225	S	98.3	Very high	97.4	Very high	41 Å²	41	34.1 Å²	34.1	29%	0.287	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-22.2	-177.4	61.7	0	0	0	0	114	D223 F228 H506	D223-S225 WeakPolarHBondContact OD1-CB 3.43Å; D223-S225 PolarHBondContact OD1-N 3.05Å; D223-S225 PolarHBondContact OD1-OG 3.44Å; S225-F228 WeakPolarHBondContact O-CD1 3.16Å; S225-F228 VanDerWaalsContact O-CE1 3.24Å; S225-F228 WeakPolarHBondContact O-CE1 3.35Å; S225-H506 PolarHBondContact OG-CD2 2.97Å
226	Q	98.1	Very high	97.6	Very high	21 Å²	21	29.1 Å²	29.1	10%	0.098	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-21.4	178.1	-60.7	173.4	11.8	0	0	113.2	M224 F228 R229 W384 D386	M224-Q226 PolarHBondContact O-N 3.17Å; M224-Q226 VanDerWaalsContact O-N 3.1Å; Q226-F228 VanDerWaalsContact C-N 3.25Å; Q226-F228 PolarHBondContact O-N 3.46Å; Q226-F228 VanDerWaalsContact O-N 3.1Å; Q226-R229 WeakPolarHBondContact O-CB 3.31Å; Q226-R229 PolarHBondContact O-N 3.12Å; Q226-W384 HydrophobicContact CB-CZ3 4.45Å; Q226-D386 PolarHBondContact NE2-OD2 3.43Å
227	Y	98.5	Very high	97.8	Very high	3 Å²	3	22.5 Å²	22.5	1%	0.012	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-63.5	-27.7	-164	-80.9	-128.7	0	0	0	113.5	L176 L181 E184 M224 R229 L230 A389 R392	L176-Y227 HydrophobicContact CD1-CD1 4.45Å; L181-Y227 HydrophobicContact CD2-CD1 4.35Å; L181-Y227 HydrophobicContact CD2-CE1 4.44Å; E184-Y227 VanDerWaalsContact CG-OH 3.25Å; E184-Y227 WeakPolarHBondContact CG-OH 3.36Å; E184-Y227 PolarHBondContact OE2-OH 2.97Å; M224-Y227 HydrophobicContact CB-CD2 3.78Å; M224-Y227 HydrophobicContact CB-CE2 4.05Å; M224-Y227 HydrophobicContact CB-CG 4.13Å; M224-Y227 HydrophobicContact CE-CD1 3.72Å; M224-Y227 HydrophobicContact CE-CE1 3.55Å; M224-Y227 HydrophobicContact CE-CG 4.34Å; M224-Y227 HydrophobicContact CG-CD2 4.18Å; M224-Y227 HydrophobicContact CG-CE1 4.49Å; M224-Y227 HydrophobicContact CG-CE2 3.95Å; M224-Y227 WeakPolarHBondContact O-CB 3.48Å; M224-Y227 PolarHBondContact O-N 3.47Å; Y227-R229 PolarHBondContact O-N 2.92Å; Y227-L230 WeakPolarHBondContact O-CB 3.45Å; Y227-L230 PolarHBondContact O-N 2.85Å; Y227-A389 HydrophobicContact CD1-CB 4.27Å; Y227-A389 HydrophobicContact CD2-CB 3.62Å; Y227-A389 HydrophobicContact CE1-CB 4.35Å; Y227-A389 HydrophobicContact CE2-CB 3.7Å; Y227-A389 HydrophobicContact CG-CB 3.92Å; Y227-R392 HydrophobicContact CE1-CB 4.23Å; Y227-R392 HydrophobicContact CE1-CG 4.15Å
228	F	98.3	Very high	98.1	Very high	109 Å²	109	24.4 Å²	24.4	48%	0.478	12%	0.117	S	C	.	.	G	3₁₀ helix	trans	-63.9	-26.8	177.7	80.3	-88.9	0	0	0	112.6	S225 Q226 L230 F231 T246	S225-F228 WeakPolarHBondContact O-CD1 3.16Å; S225-F228 VanDerWaalsContact O-CE1 3.24Å; S225-F228 WeakPolarHBondContact O-CE1 3.35Å; Q226-F228 VanDerWaalsContact C-N 3.25Å; Q226-F228 PolarHBondContact O-N 3.46Å; Q226-F228 VanDerWaalsContact O-N 3.1Å; F228-L230 VanDerWaalsContact C-N 3.25Å; F228-L230 PolarHBondContact O-N 3.26Å; F228-F231 PolarHBondContact O-N 2.97Å; F228-T246 HydrophobicContact CD2-CG2 4.25Å; F228-T246 HydrophobicContact CE2-CG2 4.43Å
229	R	98.6	Very high	98.2	Very high	50 Å²	50	28 Å²	28	19%	0.189	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-77.8	-2.8	-179.7	-66.2	-163.3	174.1	-81.4	17.7	114.5	Q226 Y227 F231 S233 L244 T246 S365 W384	Q226-R229 WeakPolarHBondContact O-CB 3.31Å; Q226-R229 PolarHBondContact O-N 3.12Å; Y227-R229 PolarHBondContact O-N 2.92Å; R229-F231 VanDerWaalsContact C-N 3.26Å; R229-F231 PolarHBondContact O-N 3.35Å; R229-S233 VanDerWaalsContact O-CB 3.23Å; R229-S233 WeakPolarHBondContact O-CB 3.45Å; R229-S233 PolarHBondContact O-OG 3.19Å; R229-L244 VanDerWaalsContact CZ-CB 3.48Å; R229-L244 PolarHBondContact NH1-O 3.31Å; R229-L244 PolarHBondContact NH2-O 2.6Å; R229-T246 PolarHBondContact NH1-OG1 3.4Å; R229-S365 WeakPolarHBondContact O-CB 3.46Å; R229-W384 HydrophobicContact CB-CB 4.39Å; R229-W384 HydrophobicContact CB-CD2 4.06Å; R229-W384 HydrophobicContact CB-CE3 3.64Å; R229-W384 HydrophobicContact CB-CG 4.38Å; R229-W384 HydrophobicContact CB-CZ3 4.32Å
230	L	98.7	Very high	98.2	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-56	-44.3	165.5	-77	167.6	0	0	0	110.7	F172 Y227 F228 S365 F366 W384 A389 V390 F393	F172-L230 HydrophobicContact CE1-CD1 3.7Å; F172-L230 HydrophobicContact CZ-CD1 4.26Å; Y227-L230 WeakPolarHBondContact O-CB 3.45Å; Y227-L230 PolarHBondContact O-N 2.85Å; F228-L230 VanDerWaalsContact C-N 3.25Å; F228-L230 PolarHBondContact O-N 3.26Å; L230-S365 WeakPolarHBondContact O-CB 3.27Å; L230-S365 PolarHBondContact O-OG 2.9Å; L230-F366 HydrophobicContact CB-CE1 4.13Å; L230-F366 HydrophobicContact CD2-CD1 4.08Å; L230-F366 HydrophobicContact CD2-CE1 4.06Å; L230-F366 WeakPolarHBondContact O-CD1 3.46Å; L230-F366 WeakPolarHBondContact O-CE1 3.25Å; L230-W384 HydrophobicContact CD2-CH2 3.61Å; L230-W384 HydrophobicContact CD2-CZ2 4.1Å; L230-W384 HydrophobicContact CG-CH2 3.98Å; L230-A389 HydrophobicContact CD1-CB 4.26Å; L230-A389 HydrophobicContact CG-CB 4.34Å; L230-V390 HydrophobicContact CD2-CG2 4.27Å; L230-F393 HydrophobicContact CD1-CB 4.18Å; L230-F393 HydrophobicContact CD2-CB 4.28Å
231	F	98.8	Very high	98.3	Very high	1 Å²	1	33.8 Å²	33.8	0%	0.004	16%	0.158	C	C	.	.	S	Bend	trans	-114.3	152.2	-168.4	-57.5	-83	0	0	0	114	F172 M173 F228 R229 S233 L332 F333 F366 F393	F172-F231 HydrophobicContact CB-CZ 4.47Å; F172-F231 AromaticContact CD1-CE2 3.63Å; F172-F231 HydrophobicContact CD1-CE2 3.63Å; F172-F231 AromaticContact CD1-CZ 3.73Å; F172-F231 HydrophobicContact CD1-CZ 3.73Å; F172-F231 HydrophobicContact CE1-CE2 4.06Å; F172-F231 HydrophobicContact CE1-CZ 4.48Å; F172-F231 HydrophobicContact CG-CZ 4.49Å; M173-F231 HydrophobicContact CB-CD1 3.89Å; M173-F231 HydrophobicContact CB-CD2 3.88Å; M173-F231 HydrophobicContact CB-CE1 3.83Å; M173-F231 HydrophobicContact CB-CE2 3.84Å; M173-F231 HydrophobicContact CB-CG 3.91Å; M173-F231 HydrophobicContact CB-CZ 3.81Å; M173-F231 HydrophobicContact CG-CB 3.98Å; M173-F231 HydrophobicContact CG-CD1 3.99Å; M173-F231 HydrophobicContact CG-CD2 3.7Å; M173-F231 HydrophobicContact CG-CE1 4.43Å; M173-F231 HydrophobicContact CG-CE2 4.18Å; M173-F231 HydrophobicContact CG-CG 3.59Å; M173-F231 HydrophobicContact SD-CB 3.85Å; M173-F231 HydrophobicContact SD-CD1 4.12Å; M173-F231 HydrophobicContact SD-CG 3.94Å; F228-F231 PolarHBondContact O-N 2.97Å; R229-F231 VanDerWaalsContact C-N 3.26Å; R229-F231 PolarHBondContact O-N 3.35Å; F231-S233 PolarHBondContact O-N 2.89Å; F231-S233 VanDerWaalsContact O-N 3.1Å; F231-S233 PolarHBondContact O-OG 3Å; F231-L332 CarbonylContact C-O 3.57Å; F231-L332 VanDerWaalsContact CA-O 3.25Å; F231-L332 WeakPolarHBondContact CA-O 3.42Å; F231-F333 HydrophobicContact CD1-CD1 4.25Å; F231-F333 HydrophobicContact CE1-CD1 4.23Å; F231-F366 HydrophobicContact CD1-CZ 4.49Å; F231-F366 HydrophobicContact CE1-CE1 4.3Å; F231-F366 HydrophobicContact CE1-CZ 4.01Å; F231-F366 HydrophobicContact CZ-CZ 4.5Å; F231-F393 HydrophobicContact CE1-CE2 4.07Å; F231-F393 AromaticContact CZ-CD2 3.86Å; F231-F393 HydrophobicContact CZ-CD2 3.86Å; F231-F393 AromaticContact CZ-CE2 3.65Å; F231-F393 HydrophobicContact CZ-CE2 3.65Å
232	N	98.8	Very high	98.3	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	50.8	30.5	179.7	-55.9	103.9	0	0	0	113.9	R177 T246 D247 G250 S330 A331 L332	R177-N232 PolarHBondContact NH1-OD1 3.12Å; R177-N232 PolarHBondContact NH2-OD1 2.65Å; N232-T246 VanDerWaalsContact O-CA 3.3Å; N232-T246 WeakPolarHBondContact O-CA 3.39Å; N232-D247 WeakPolarHBondContact CB-O 3.41Å; N232-D247 PolarHBondContact O-N 2.85Å; N232-G250 WeakPolarHBondContact ND2-CA 3.43Å; N232-G250 PolarHBondContact ND2-O 2.79Å; N232-S330 PolarHBondContact ND2-O 3.22Å; N232-A331 WeakPolarHBondContact CA-O 3.34Å; N232-L332 PolarHBondContact N-O 3.32Å
233	S	98.8	Very high	98.3	Very high	4 Å²	4	37.2 Å²	37.2	3%	0.028	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	150.3	-166.4	-63.9	0	0	0	0	112.2	R229 F231 L245 T246 K364 S365	R229-S233 VanDerWaalsContact O-CB 3.23Å; R229-S233 WeakPolarHBondContact O-CB 3.45Å; R229-S233 PolarHBondContact O-OG 3.19Å; F231-S233 PolarHBondContact O-N 2.89Å; F231-S233 VanDerWaalsContact O-N 3.1Å; F231-S233 PolarHBondContact O-OG 3Å; S233-L245 VanDerWaalsContact CA-O 3.27Å; S233-L245 WeakPolarHBondContact CA-O 3.41Å; S233-T246 WeakPolarHBondContact OG-CB 3.35Å; S233-T246 VanDerWaalsContact OG-CG2 3.31Å; S233-T246 WeakPolarHBondContact OG-CG2 3.36Å; S233-T246 PolarHBondContact OG-OG1 3.29Å; S233-K364 WeakPolarHBondContact O-CD 3.37Å; S233-K364 WeakPolarHBondContact O-CE 3.34Å; S233-S365 PolarHBondContact O-N 2.86Å; S233-S365 PolarHBondContact O-OG 3.16Å
234	T	98.9	Very high	98.3	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.018	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	153.6	-177.1	-167.6	0	0	0	0	110.7	I236 L245 D329 D363	T234-I236 HydrophobicContact CG2-CD1 3.56Å; T234-I236 HydrophobicContact CG2-CG1 4.22Å; T234-L245 HydrophobicContact CG2-CB 4.14Å; T234-L245 HydrophobicContact CG2-CD2 4.4Å; T234-L245 PolarHBondContact N-O 2.97Å; T234-L245 VanDerWaalsContact N-O 3.09Å; T234-L245 PolarHBondContact O-N 3.14Å; T234-D329 HydrophobicContact CG2-CB 3.8Å; T234-D363 CarbonylContact C-O 3.55Å; T234-D363 WeakPolarHBondContact CA-O 3.24Å; T234-D363 PolarHBondContact OG1-O 3.07Å
235	R	98.8	Very high	98.3	Very high	1 Å²	1	41 Å²	41	0%	0.004	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	108.2	171.4	178.6	177.4	170.5	155.3	5.1	109.5	Y130 D242 L244 D363 E381	Y130-R235 PolarHBondContact O-NH1 2.87Å; Y130-R235 PolarHBondContact O-NH2 2.86Å; R235-D242 HydrophobicContact CG-CB 4.09Å; R235-D242 IonicContact CZ-OD2 2.72Å; R235-D242 IonicContact NE-OD2 3.12Å; R235-D242 PolarHBondContact NE-OD2 3.44Å; R235-D242 IonicContact NH2-OD2 2.75Å; R235-D242 PolarHBondContact NH2-OD2 2.67Å; R235-D242 VanDerWaalsContact NH2-OD2 3.12Å; R235-L244 HydrophobicContact CB-CD2 4.09Å; R235-L244 HydrophobicContact CG-CD2 4.4Å; R235-D363 PolarHBondContact N-O 3.44Å; R235-D363 WeakPolarHBondContact O-CB 3.42Å; R235-E381 HydrophobicContact CB-CG 4.03Å; R235-E381 VanDerWaalsContact CD-CD 3.41Å; R235-E381 WeakPolarHBondContact CD-OE1 3.24Å; R235-E381 IonicContact CZ-OE1 2.7Å; R235-E381 IonicContact NE-OE1 3.95Å; R235-E381 IonicContact NH1-OE1 3.21Å; R235-E381 PolarHBondContact NH1-OE1 3.08Å
236	I	98.8	Very high	98.3	Very high	9 Å²	9	40.9 Å²	40.9	5%	0.046	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	122.1	176.2	-53.6	-64.3	0	0	0	108.7	T234 K238 D242 E243 L245	T234-I236 HydrophobicContact CG2-CD1 3.56Å; T234-I236 HydrophobicContact CG2-CG1 4.22Å; I236-K238 HydrophobicContact CG2-CD 4.28Å; I236-D242 WeakPolarHBondContact O-CB 3.25Å; I236-E243 HydrophobicContact CB-CB 4.36Å; I236-E243 PolarHBondContact N-O 3.43Å; I236-E243 PolarHBondContact O-N 3.21Å; I236-L245 HydrophobicContact CD1-CB 4.36Å; I236-L245 HydrophobicContact CD1-CD2 3.96Å; I236-L245 HydrophobicContact CG1-CB 3.78Å; I236-L245 HydrophobicContact CG1-CD2 4.08Å
237	P	98.8	Very high	98.3	Very high	5 Å²	5	42.3 Å²	42.3	3%	0.032	20%	0.199	C	C	.	.			trans	-65	137.5	172.7	32.4	-40.1	0	0	0	110.1	W309 A310 R313	P237-W309 HydrophobicContact CB-CB 4.27Å; P237-W309 HydrophobicContact CB-CG 3.99Å; P237-W309 HydrophobicContact CG-CB 4.49Å; P237-W309 HydrophobicContact CG-CD2 4.04Å; P237-W309 HydrophobicContact CG-CG 3.78Å; P237-A310 HydrophobicContact CB-CB 4.15Å; P237-R313 HydrophobicContact CG-CB 4.15Å; P237-R313 HydrophobicContact CG-CG 4.42Å
238	K	98.4	Very high	98	Very high	82 Å²	82	46.3 Å²	46.3	36%	0.357	22%	0.221	S	C	.	.			trans	-143.6	152.9	175.1	-58.5	-70.8	-173.3	171.6	0	108.4	R134 I236 G240 R241 D242 E243	R134-K238 PolarHBondContact NH1-O 3.4Å; I236-K238 HydrophobicContact CG2-CD 4.28Å; K238-G240 PolarHBondContact O-N 3.21Å; K238-R241 WeakPolarHBondContact CB-O 3.26Å; K238-D242 PolarHBondContact N-OD1 2.89Å; K238-D242 VanDerWaalsContact N-OD1 3.09Å; K238-E243 WeakPolarHBondContact CE-OE2 3.2Å; K238-E243 HydrophobicContact CG-CB 4.1Å; K238-E243 IonicContact NZ-OE2 2.79Å; K238-E243 PolarHBondContact NZ-OE2 3.42Å
239	R	96.8	Very high	97.8	Very high	161 Å²	161	46.5 Å²	46.5	61%	0.608	22%	0.221	S	C	*	.	S	Bend	trans	-60.2	128.7	176.3	-64.5	176.4	-171.9	-95	-2.4	110.9	R241 D307 A310 E314	R239-R241 VanDerWaalsContact C-N 3.26Å; R239-R241 PolarHBondContact O-N 3.49Å; R239-D307 VanDerWaalsContact CA-OD1 3.29Å; R239-D307 WeakPolarHBondContact CA-OD1 3.45Å; R239-A310 HydrophobicContact CG-CB 4.28Å; R239-E314 IonicContact CZ-OE2 3.67Å; R239-E314 IonicContact NE-OE1 3.55Å; R239-E314 IonicContact NE-OE2 2.69Å; R239-E314 PolarHBondContact NE-OE2 2.98Å; R239-E314 IonicContact NH2-OE2 3.81Å; R239-E314 PolarHBondContact NH2-OE2 3.22Å
240	G	95.4	Very high	97.5	Very high	42 Å²	42	44.5 Å²	44.5	43%	0.433	22%	0.217	S	C	.	.	S	Bend	trans	75.8	-47.6	177.8	0	0	0	0	0	116.3	S132 R134 K238 D307	S132-G240 WeakPolarHBondContact CA-O 3.45Å; R134-G240 PolarHBondContact NE-O 2.96Å; K238-G240 PolarHBondContact O-N 3.21Å; G240-D307 PolarHBondContact N-OD1 2.97Å
241	R	98.3	Very high	97.5	Very high	138 Å²	138	47.7 Å²	47.7	52%	0.521	23%	0.229	S	C	.	.	S	Bend	trans	-148.8	121.1	175.6	-172.5	-172.9	68.9	-178.9	-4.6	112.9	D128 L131 S132 K238 R239	D128-R241 VanDerWaalsContact OD1-CD 3.24Å; D128-R241 WeakPolarHBondContact OD1-CD 3.41Å; D128-R241 IonicContact OD1-CZ 2.65Å; D128-R241 IonicContact OD1-NE 3.72Å; D128-R241 IonicContact OD1-NH1 2.72Å; D128-R241 PolarHBondContact OD1-NH1 3.34Å; L131-R241 HydrophobicContact CB-CG 3.74Å; L131-R241 WeakPolarHBondContact O-CA 3.48Å; S132-R241 WeakPolarHBondContact OG-CG 3.37Å; K238-R241 WeakPolarHBondContact CB-O 3.26Å; R239-R241 VanDerWaalsContact C-N 3.26Å; R239-R241 PolarHBondContact O-N 3.49Å
242	D	98.8	Very high	97.5	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.021	23%	0.233	C	C	.	.			trans	-66.5	164.9	-178.8	-71.4	8.9	0	0	0	113.7	L131 R134 R235 I236 K238 R306	L131-D242 HydrophobicContact CD2-CB 4.06Å; L131-D242 PolarHBondContact O-N 3.22Å; R134-D242 IonicContact CZ-OD1 3Å; R134-D242 IonicContact NH1-OD1 3.61Å; R134-D242 PolarHBondContact NH1-OD1 2.89Å; R134-D242 IonicContact NH2-OD1 2.8Å; R134-D242 PolarHBondContact NH2-OD1 2.91Å; R134-D242 IonicContact NH2-OD2 2.77Å; R235-D242 HydrophobicContact CG-CB 4.09Å; R235-D242 IonicContact CZ-OD2 2.72Å; R235-D242 IonicContact NE-OD2 3.12Å; R235-D242 PolarHBondContact NE-OD2 3.44Å; R235-D242 IonicContact NH2-OD2 2.75Å; R235-D242 PolarHBondContact NH2-OD2 2.67Å; R235-D242 VanDerWaalsContact NH2-OD2 3.12Å; I236-D242 WeakPolarHBondContact O-CB 3.25Å; K238-D242 PolarHBondContact N-OD1 2.89Å; K238-D242 VanDerWaalsContact N-OD1 3.09Å; D242-R306 IonicContact OD2-CZ 2.78Å; D242-R306 IonicContact OD2-NE 2.75Å; D242-R306 PolarHBondContact OD2-NE 3.43Å; D242-R306 IonicContact OD2-NH2 2.63Å; D242-R306 PolarHBondContact OD2-NH2 3.03Å
243	E	98.5	Very high	97.5	Very high	95 Å²	95	48.5 Å²	48.5	44%	0.444	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	131.3	-175	178.3	177.4	-159	0	0	111.8	I236 K238 L245	I236-E243 HydrophobicContact CB-CB 4.36Å; I236-E243 PolarHBondContact N-O 3.43Å; I236-E243 PolarHBondContact O-N 3.21Å; K238-E243 WeakPolarHBondContact CE-OE2 3.2Å; K238-E243 HydrophobicContact CG-CB 4.1Å; K238-E243 IonicContact NZ-OE2 2.79Å; K238-E243 PolarHBondContact NZ-OE2 3.42Å; E243-L245 PolarHBondContact O-N 3.35Å
244	L	98.6	Very high	97.5	Very high	26 Å²	26	48.3 Å²	48.3	14%	0.136	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	95	177.4	-69.6	177	0	0	0	111.8	F127 L131 R229 R235 W384	F127-L244 HydrophobicContact CD1-CD1 4.31Å; F127-L244 HydrophobicContact CE1-CD1 4.3Å; L131-L244 HydrophobicContact CD1-CD1 4.17Å; L131-L244 HydrophobicContact CD1-CG 4.19Å; L131-L244 HydrophobicContact CD2-CD1 4.29Å; L131-L244 HydrophobicContact CD2-CD2 4.08Å; L131-L244 HydrophobicContact CD2-CG 3.81Å; R229-L244 VanDerWaalsContact CZ-CB 3.48Å; R229-L244 PolarHBondContact NH1-O 3.31Å; R229-L244 PolarHBondContact NH2-O 2.6Å; R235-L244 HydrophobicContact CB-CD2 4.09Å; R235-L244 HydrophobicContact CG-CD2 4.4Å; L244-W384 HydrophobicContact CD1-CB 3.88Å; L244-W384 HydrophobicContact CD2-CB 3.96Å
245	L	98.4	Very high	97.5	Very high	65 Å²	65	48.2 Å²	48.2	34%	0.34	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	146.4	179.7	-176.8	62.7	0	0	0	111.7	S233 T234 I236 E243 D329	S233-L245 VanDerWaalsContact CA-O 3.27Å; S233-L245 WeakPolarHBondContact CA-O 3.41Å; T234-L245 HydrophobicContact CG2-CB 4.14Å; T234-L245 HydrophobicContact CG2-CD2 4.4Å; T234-L245 PolarHBondContact N-O 2.97Å; T234-L245 VanDerWaalsContact N-O 3.09Å; T234-L245 PolarHBondContact O-N 3.14Å; I236-L245 HydrophobicContact CD1-CB 4.36Å; I236-L245 HydrophobicContact CD1-CD2 3.96Å; I236-L245 HydrophobicContact CG1-CB 3.78Å; I236-L245 HydrophobicContact CG1-CD2 4.08Å; E243-L245 PolarHBondContact O-N 3.35Å; L245-D329 HydrophobicContact CD2-CB 4.24Å
246	T	98.6	Very high	97.5	Very high	40 Å²	40	48.1 Å²	48.1	25%	0.245	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	131.2	167.3	-57.9	0	0	0	0	109.2	F228 R229 N232 S233	F228-T246 HydrophobicContact CD2-CG2 4.25Å; F228-T246 HydrophobicContact CE2-CG2 4.43Å; R229-T246 PolarHBondContact NH1-OG1 3.4Å; N232-T246 VanDerWaalsContact O-CA 3.3Å; N232-T246 WeakPolarHBondContact O-CA 3.39Å; S233-T246 WeakPolarHBondContact OG-CB 3.35Å; S233-T246 VanDerWaalsContact OG-CG2 3.31Å; S233-T246 WeakPolarHBondContact OG-CG2 3.36Å; S233-T246 PolarHBondContact OG-OG1 3.29Å
247	D	97.1	Very high	97.5	Very high	51 Å²	51	48.3 Å²	48.3	27%	0.273	23%	0.23	S	C	.	.			trans	-125	93.6	168.9	-175.5	20.1	0	0	0	111.3	N232 K249 G250	N232-D247 WeakPolarHBondContact CB-O 3.41Å; N232-D247 PolarHBondContact O-N 2.85Å; D247-K249 PolarHBondContact O-N 2.98Å; D247-K249 WeakPolarHBondContact OD1-CG 3.29Å; D247-K249 PolarHBondContact OD1-N 3.02Å; D247-K249 IonicContact OD1-NZ 3.86Å; D247-K249 PolarHBondContact OD1-NZ 2.67Å; D247-G250 PolarHBondContact O-N 2.87Å; D247-G250 VanDerWaalsContact O-N 3.12Å
248	D	92.7	Very high	97.4	Very high	86 Å²	86	51.2 Å²	51.2	46%	0.46	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-10.5	-175.7	68	-7.9	0	0	0	115	Y34 R177	Y34-D248 PolarHBondContact OH-O 3.38Å; R177-D248 PolarHBondContact NH1-O 3.31Å; R177-D248 VanDerWaalsContact NH1-O 3.1Å
249	K	92.6	Very high	97.4	Very high	113 Å²	113	47.6 Å²	47.6	49%	0.491	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-18.7	177.3	-55	-176.6	-145.2	77	0	114.1	D247	D247-K249 PolarHBondContact O-N 2.98Å; D247-K249 WeakPolarHBondContact OD1-CG 3.29Å; D247-K249 PolarHBondContact OD1-N 3.02Å; D247-K249 IonicContact OD1-NZ 3.86Å; D247-K249 PolarHBondContact OD1-NZ 2.67Å
250	G	93.9	Very high	97.5	Very high	9 Å²	9	40.5 Å²	40.5	9%	0.093	20%	0.202	C	C	.	.			trans	-62.9	133.9	179.6	0	0	0	0	0	111.8	N232 D247 L332	N232-G250 WeakPolarHBondContact ND2-CA 3.43Å; N232-G250 PolarHBondContact ND2-O 2.79Å; D247-G250 PolarHBondContact O-N 2.87Å; D247-G250 VanDerWaalsContact O-N 3.12Å; G250-L332 WeakPolarHBondContact O-CD1 3.44Å
251	R	97.8	Very high	97.6	Very high	67 Å²	67	38.7 Å²	38.7	25%	0.253	18%	0.183	S	C	.	.			trans	-117.5	-7.6	-176.3	-68.6	-172.3	-58.9	102.8	16.9	113.8	D265 V266 V267 D268	R251-D265 WeakPolarHBondContact CB-OD1 3.46Å; R251-D265 IonicContact CZ-OD1 3.71Å; R251-D265 IonicContact CZ-OD2 3.51Å; R251-D265 IonicContact NH1-OD1 3.37Å; R251-D265 PolarHBondContact NH1-OD1 3.35Å; R251-D265 IonicContact NH1-OD2 3.22Å; R251-D265 PolarHBondContact NH1-OD2 2.98Å; R251-D265 VanDerWaalsContact NH2-CG 3.31Å; R251-D265 IonicContact NH2-OD1 2.99Å; R251-D265 PolarHBondContact NH2-OD1 2.88Å; R251-D265 IonicContact NH2-OD2 2.94Å; R251-D265 PolarHBondContact NH2-OD2 2.73Å; R251-V266 WeakPolarHBondContact O-CG2 3.44Å; R251-V266 PolarHBondContact O-N 3.41Å; R251-V267 HydrophobicContact CB-CB 4.1Å; R251-V267 HydrophobicContact CG-CB 4.24Å; R251-V267 HydrophobicContact CG-CG1 4.46Å; R251-V267 PolarHBondContact NH1-O 3.37Å; R251-V267 PolarHBondContact O-N 3.45Å; R251-V267 VanDerWaalsContact O-N 3.07Å; R251-D268 VanDerWaalsContact CD-O 3.22Å; R251-D268 WeakPolarHBondContact CD-O 3.34Å
252	H	98.8	Very high	97.6	Very high	18 Å²	18	32.3 Å²	32.3	8%	0.083	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	150.4	-172.5	57.6	-72.7	0	0	0	113.3	F264 L327 S330 A331 L332	H252-F264 CarbonylContact C-O 3.54Å; H252-F264 WeakPolarHBondContact CA-O 3.27Å; H252-F264 VanDerWaalsContact CB-O 3.27Å; H252-F264 WeakPolarHBondContact CB-O 3.46Å; H252-L327 PolarHBondContact NE2-O 3.41Å; H252-S330 PolarHBondContact CE1-OG 2.9Å; H252-S330 VanDerWaalsContact CE1-OG 3.28Å; H252-A331 WeakPolarHBondContact NE2-CA 3.31Å; H252-A331 PolarHBondContact NE2-N 3Å; H252-A331 CarbonylContact O-C 3.59Å; H252-A331 VanDerWaalsContact O-CA 3.3Å; H252-A331 WeakPolarHBondContact O-CA 3.36Å; H252-L332 VanDerWaalsContact O-CD1 3.27Å; H252-L332 WeakPolarHBondContact O-CD1 3.48Å; H252-L332 PolarHBondContact O-N 3.49Å
253	L	98.9	Very high	97.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	146.2	167.3	179.2	62	0	0	0	109.4	V166 V255 V263 F264 V266 F333 L335	V166-L253 HydrophobicContact CG1-CD2 4Å; V166-L253 HydrophobicContact CG2-CD2 3.63Å; L253-V255 HydrophobicContact CD2-CG2 3.67Å; L253-V255 HydrophobicContact CG-CG2 3.83Å; L253-V263 VanDerWaalsContact O-CA 3.31Å; L253-V263 WeakPolarHBondContact O-CA 3.42Å; L253-F264 HydrophobicContact CD2-CE1 4.36Å; L253-F264 HydrophobicContact CD2-CZ 4.08Å; L253-F264 PolarHBondContact N-O 3.09Å; L253-V266 HydrophobicContact CB-CG1 3.74Å; L253-V266 HydrophobicContact CB-CG2 4.15Å; L253-V266 HydrophobicContact CD2-CG1 4.35Å; L253-F333 HydrophobicContact CD1-CD1 4.34Å; L253-F333 HydrophobicContact CD1-CD2 3.79Å; L253-F333 HydrophobicContact CD1-CE1 4.07Å; L253-F333 HydrophobicContact CD1-CE2 3.48Å; L253-F333 VanDerWaalsContact CD1-CE2 3.48Å; L253-F333 HydrophobicContact CD1-CG 4.2Å; L253-F333 HydrophobicContact CD1-CZ 3.62Å; L253-L335 HydrophobicContact CD1-CB 4.19Å; L253-L335 HydrophobicContact CD2-CB 4.19Å; L253-L335 HydrophobicContact CD2-CD2 4.09Å; L253-L335 HydrophobicContact CG-CB 4.44Å
254	L	98.9	Very high	97.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	126.5	161.2	173	64.8	0	0	0	107.9	M261 V263 V328 A331 F333 C334 L335	L254-M261 HydrophobicContact CD1-CB 4.18Å; L254-V263 HydrophobicContact CD1-CG1 4.11Å; L254-V328 HydrophobicContact CD1-CG2 4.16Å; L254-V328 HydrophobicContact CD2-CB 4.38Å; L254-V328 HydrophobicContact CD2-CG1 3.95Å; L254-V328 HydrophobicContact CD2-CG2 4.27Å; L254-A331 HydrophobicContact CB-CB 3.62Å; L254-F333 PolarHBondContact N-O 3.07Å; L254-C334 HydrophobicContact CD2-CB 4.22Å; L254-C334 CarbonylContact O-C 3.52Å; L254-C334 WeakPolarHBondContact O-CA 3.49Å; L254-L335 PolarHBondContact O-N 2.85Å
255	V	98.9	Very high	97.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	132.5	172.7	-171.7	0	0	0	0	109.5	L253 M261 Y262 F264 L283 I286 L335 L337	L253-V255 HydrophobicContact CD2-CG2 3.67Å; L253-V255 HydrophobicContact CG-CG2 3.83Å; V255-M261 CarbonylContact O-C 3.53Å; V255-M261 WeakPolarHBondContact O-CA 3.41Å; V255-Y262 PolarHBondContact N-O 3.16Å; V255-Y262 PolarHBondContact O-N 3.38Å; V255-F264 HydrophobicContact CG2-CE1 3.81Å; V255-L283 HydrophobicContact CG2-CD2 4.2Å; V255-I286 HydrophobicContact CB-CD1 4.07Å; V255-I286 HydrophobicContact CG1-CD1 4.24Å; V255-I286 HydrophobicContact CG1-CG2 4.07Å; V255-I286 HydrophobicContact CG2-CD1 4.04Å; V255-L335 CarbonylContact C-O 3.56Å; V255-L335 VanDerWaalsContact CA-O 3.29Å; V255-L335 WeakPolarHBondContact CA-O 3.32Å; V255-L335 HydrophobicContact CG1-CD2 4.25Å; V255-L335 HydrophobicContact CG1-CG 4.41Å; V255-L335 HydrophobicContact CG2-CB 4.32Å; V255-L335 HydrophobicContact CG2-CD2 4.2Å; V255-L337 HydrophobicContact CG1-CD1 3.75Å; V255-L337 HydrophobicContact CG1-CG 4.09Å
256	M	98.8	Very high	97.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	128.8	171.6	-67	-168.9	69.2	0	0	110	N260 M261 L335 L337 C358 R360 W361	M256-N260 WeakPolarHBondContact CA-O 3.25Å; M256-M261 HydrophobicContact CE-CE 3.7Å; M256-M261 HydrophobicContact CE-CG 4.19Å; M256-M261 HydrophobicContact CG-CG 4.14Å; M256-M261 HydrophobicContact SD-CE 4.26Å; M256-M261 HydrophobicContact SD-CG 4.49Å; M256-L335 PolarHBondContact N-O 3.13Å; M256-L337 PolarHBondContact O-N 2.91Å; M256-C358 WeakPolarHBondContact CE-O 3.25Å; M256-R360 WeakPolarHBondContact CE-O 3.22Å; M256-W361 HydrophobicContact SD-CB 3.98Å
257	R	98.5	Very high	97.6	Very high	13 Å²	13	25.1 Å²	25.1	5%	0.049	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	126.4	173.7	-176.6	178.5	171.4	-114.5	-2.8	109.6	G259 N260 Y262 I286 L287 D289 L337 E339 N359	R257-G259 PolarHBondContact O-N 3.06Å; R257-N260 PolarHBondContact N-O 3.37Å; R257-N260 WeakPolarHBondContact O-CB 3.32Å; R257-N260 PolarHBondContact O-N 3.34Å; R257-Y262 HydrophobicContact CB-CE2 4.26Å; R257-I286 HydrophobicContact CB-CG2 4.23Å; R257-I286 WeakPolarHBondContact CD-O 3.28Å; R257-I286 PolarHBondContact NH1-O 3.16Å; R257-L287 PolarHBondContact NH1-O 3.04Å; R257-L287 VanDerWaalsContact NH1-O 3.11Å; R257-L287 PolarHBondContact NH2-O 2.65Å; R257-D289 PolarHBondContact NH1-O 3.15Å; R257-L337 HydrophobicContact CB-CB 4.29Å; R257-L337 HydrophobicContact CG-CB 4.33Å; R257-E339 IonicContact CZ-OE1 3.49Å; R257-E339 IonicContact NE-OE1 2.65Å; R257-E339 PolarHBondContact NE-OE1 2.89Å; R257-E339 VanDerWaalsContact NH2-CD 3.29Å; R257-E339 IonicContact NH2-OE1 3.68Å; R257-E339 PolarHBondContact NH2-OE1 2.93Å; R257-E339 IonicContact NH2-OE2 2.66Å; R257-E339 PolarHBondContact NH2-OE2 3.36Å; R257-E339 VanDerWaalsContact NH2-OE2 3.12Å; R257-N359 WeakPolarHBondContact CA-OD1 3.38Å; R257-N359 PolarHBondContact N-OD1 3.31Å
258	K	97.3	Very high	97.5	Very high	66 Å²	66	24.9 Å²	24.9	29%	0.287	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	31.1	-173.7	-61.3	171.3	-179.4	163.1	0	112.7	N260 A293 P294 E339 N359	K258-N260 PolarHBondContact O-N 2.95Å; K258-N260 VanDerWaalsContact O-N 3.14Å; K258-A293 HydrophobicContact CB-CB 4.27Å; K258-A293 VanDerWaalsContact O-CA 3.31Å; K258-A293 WeakPolarHBondContact O-CA 3.36Å; K258-A293 WeakPolarHBondContact O-CB 3.44Å; K258-P294 WeakPolarHBondContact O-CD 3.48Å; K258-E339 HydrophobicContact CD-CG 4.46Å; K258-E339 VanDerWaalsContact CE-CG 3.41Å; K258-E339 WeakPolarHBondContact CE-OE2 3.33Å; K258-E339 HydrophobicContact CG-CG 4.09Å; K258-E339 IonicContact NZ-OE2 3.38Å; K258-E339 PolarHBondContact NZ-OE2 3.25Å; K258-N359 PolarHBondContact N-OD1 2.73Å
259	G	97.5	Very high	97.5	Very high	5 Å²	5	31.5 Å²	31.5	5%	0.052	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	-2.1	-173.9	0	0	0	0	0	115.8	R257 C358 N359	R257-G259 PolarHBondContact O-N 3.06Å; G259-C358 WeakPolarHBondContact CA-O 3.49Å; G259-N359 PolarHBondContact N-OD1 3.13Å
260	N	98.4	Very high	97.5	Very high	12 Å²	12	32.4 Å²	32.4	6%	0.064	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	142.2	164.7	-71.5	-87.3	0	0	0	109.2	M256 R257 K258 Y262 P292 R424	M256-N260 WeakPolarHBondContact CA-O 3.25Å; R257-N260 PolarHBondContact N-O 3.37Å; R257-N260 WeakPolarHBondContact O-CB 3.32Å; R257-N260 PolarHBondContact O-N 3.34Å; K258-N260 PolarHBondContact O-N 2.95Å; K258-N260 VanDerWaalsContact O-N 3.14Å; N260-Y262 HydrophobicContact CB-CE2 3.57Å; N260-Y262 WeakPolarHBondContact CB-OH 3.37Å; N260-P292 PolarHBondContact ND2-O 2.64Å; N260-R424 PolarHBondContact OD1-NH1 3.18Å
261	M	98.8	Very high	97.4	Very high	5 Å²	5	32.6 Å²	32.6	3%	0.025	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	135.6	179.8	-64.4	174.9	-175.5	0	0	110.8	L254 V255 M256 L298 V328 W361 R424 L425 F427	L254-M261 HydrophobicContact CD1-CB 4.18Å; V255-M261 CarbonylContact O-C 3.53Å; V255-M261 WeakPolarHBondContact O-CA 3.41Å; M256-M261 HydrophobicContact CE-CE 3.7Å; M256-M261 HydrophobicContact CE-CG 4.19Å; M256-M261 HydrophobicContact CG-CG 4.14Å; M256-M261 HydrophobicContact SD-CE 4.26Å; M256-M261 HydrophobicContact SD-CG 4.49Å; M261-L298 HydrophobicContact CE-CB 4.13Å; M261-V328 HydrophobicContact SD-CG2 4.1Å; M261-W361 HydrophobicContact CE-CE3 3.57Å; M261-W361 HydrophobicContact CE-CZ3 3.72Å; M261-R424 CarbonylContact O-C 3.38Å; M261-R424 WeakPolarHBondContact O-CA 3.44Å; M261-L425 HydrophobicContact CB-CB 4.17Å; M261-L425 HydrophobicContact CB-CD1 4.14Å; M261-L425 HydrophobicContact CB-CG 4.35Å; M261-L425 PolarHBondContact O-N 2.95Å; M261-F427 HydrophobicContact SD-CE2 3.67Å; M261-F427 HydrophobicContact SD-CZ 3.9Å
262	Y	98.9	Very high	97.3	Very high	3 Å²	3	31.2 Å²	31.2	1%	0.012	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	146.6	-178.8	-51.6	-100.7	0	0	0	109.9	V255 R257 N260 I286 D289 V422 R423 R424	V255-Y262 PolarHBondContact N-O 3.16Å; V255-Y262 PolarHBondContact O-N 3.38Å; R257-Y262 HydrophobicContact CB-CE2 4.26Å; N260-Y262 HydrophobicContact CB-CE2 3.57Å; N260-Y262 WeakPolarHBondContact CB-OH 3.37Å; Y262-I286 HydrophobicContact CD1-CG1 4.08Å; Y262-I286 HydrophobicContact CD2-CG2 3.84Å; Y262-I286 HydrophobicContact CE2-CG2 3.94Å; Y262-I286 HydrophobicContact CG-CD1 4.24Å; Y262-I286 HydrophobicContact CG-CG1 4.04Å; Y262-I286 HydrophobicContact CG-CG2 4.2Å; Y262-D289 WeakPolarHBondContact CE1-OD2 3.49Å; Y262-D289 PolarHBondContact OH-OD2 2.95Å; Y262-V422 HydrophobicContact CD1-CG1 4.09Å; Y262-V422 HydrophobicContact CG-CG1 4.49Å; Y262-R423 CarbonylContact C-O 3.54Å; Y262-R423 WeakPolarHBondContact CA-O 3.34Å; Y262-R424 HydrophobicContact CD1-CB 3.78Å; Y262-R424 HydrophobicContact CD1-CG 4.02Å; Y262-R424 HydrophobicContact CE1-CB 3.9Å; Y262-R424 HydrophobicContact CE1-CG 3.82Å
263	V	98.9	Very high	97.1	Very high	9 Å²	9	31.1 Å²	31.1	6%	0.055	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	142.3	171.4	-61.2	0	0	0	0	111.9	L253 L254 L327 R423 L425	L253-V263 VanDerWaalsContact O-CA 3.31Å; L253-V263 WeakPolarHBondContact O-CA 3.42Å; L254-V263 HydrophobicContact CD1-CG1 4.11Å; V263-L327 HydrophobicContact CG1-CB 4.49Å; V263-L327 HydrophobicContact CG2-CD1 4.36Å; V263-R423 HydrophobicContact CG2-CB 4Å; V263-R423 PolarHBondContact N-O 2.9Å; V263-R423 PolarHBondContact O-N 2.89Å; V263-L425 HydrophobicContact CG1-CD1 4.19Å; V263-L425 HydrophobicContact CG1-CD2 4.45Å; V263-L425 HydrophobicContact CG1-CG 4.42Å; V263-L425 HydrophobicContact CG2-CD2 3.94Å
264	F	98.8	Very high	97	Very high	5 Å²	5	32 Å²	32	2%	0.022	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	153.8	170.1	64.8	-90.9	0	0	0	110.3	H252 L253 V255 V266 I279 H282 L283 I286 A421 V422	H252-F264 CarbonylContact C-O 3.54Å; H252-F264 WeakPolarHBondContact CA-O 3.27Å; H252-F264 VanDerWaalsContact CB-O 3.27Å; H252-F264 WeakPolarHBondContact CB-O 3.46Å; L253-F264 HydrophobicContact CD2-CE1 4.36Å; L253-F264 HydrophobicContact CD2-CZ 4.08Å; L253-F264 PolarHBondContact N-O 3.09Å; V255-F264 HydrophobicContact CG2-CE1 3.81Å; F264-V266 HydrophobicContact CD2-CG1 4.02Å; F264-V266 HydrophobicContact CE2-CG1 3.53Å; F264-V266 HydrophobicContact CZ-CG1 4.24Å; F264-I279 HydrophobicContact CE2-CG1 4.47Å; F264-I279 HydrophobicContact CE2-CG2 4.21Å; F264-I279 HydrophobicContact CZ-CG2 4.35Å; F264-H282 HydrophobicContact CD1-CB 4.13Å; F264-H282 HydrophobicContact CD2-CB 3.93Å; F264-H282 AromaticContact CD2-CD2 3.55Å; F264-H282 HydrophobicContact CE1-CB 4.04Å; F264-H282 HydrophobicContact CE2-CB 3.83Å; F264-H282 AromaticContact CE2-CD2 3.95Å; F264-H282 HydrophobicContact CG-CB 4.08Å; F264-H282 HydrophobicContact CZ-CB 3.89Å; F264-L283 HydrophobicContact CE1-CD2 4.05Å; F264-L283 HydrophobicContact CZ-CD2 3.92Å; F264-L283 HydrophobicContact CZ-CG 4.1Å; F264-I286 HydrophobicContact CD1-CD1 3.98Å; F264-I286 HydrophobicContact CE1-CD1 3.74Å; F264-A421 WeakPolarHBondContact CB-O 3.48Å; F264-V422 HydrophobicContact CB-CG2 4.08Å; F264-V422 HydrophobicContact CD1-CG2 4.15Å; F264-V422 HydrophobicContact CG-CG2 4.29Å
265	D	98.7	Very high	96.9	Very high	60 Å²	60	38.1 Å²	38.1	32%	0.321	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	129.9	177.6	-84.1	-28	0	0	0	111.4	R251	R251-D265 WeakPolarHBondContact CB-OD1 3.46Å; R251-D265 IonicContact CZ-OD1 3.71Å; R251-D265 IonicContact CZ-OD2 3.51Å; R251-D265 IonicContact NH1-OD1 3.37Å; R251-D265 PolarHBondContact NH1-OD1 3.35Å; R251-D265 IonicContact NH1-OD2 3.22Å; R251-D265 PolarHBondContact NH1-OD2 2.98Å; R251-D265 VanDerWaalsContact NH2-CG 3.31Å; R251-D265 IonicContact NH2-OD1 2.99Å; R251-D265 PolarHBondContact NH2-OD1 2.88Å; R251-D265 IonicContact NH2-OD2 2.94Å; R251-D265 PolarHBondContact NH2-OD2 2.73Å
266	V	98.3	Very high	96.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.19	C	C	.	.	S	Bend	trans	-112.4	-7.4	169.4	-67.5	0	0	0	0	112.5	V166 V170 R251 L253 F264 V274 I279 L332	V166-V266 HydrophobicContact CG1-CG1 3.95Å; V170-V266 HydrophobicContact CG2-CB 4.09Å; V170-V266 HydrophobicContact CG2-CG2 3.76Å; R251-V266 WeakPolarHBondContact O-CG2 3.44Å; R251-V266 PolarHBondContact O-N 3.41Å; L253-V266 HydrophobicContact CB-CG1 3.74Å; L253-V266 HydrophobicContact CB-CG2 4.15Å; L253-V266 HydrophobicContact CD2-CG1 4.35Å; F264-V266 HydrophobicContact CD2-CG1 4.02Å; F264-V266 HydrophobicContact CE2-CG1 3.53Å; F264-V266 HydrophobicContact CZ-CG1 4.24Å; V266-V274 PolarHBondContact O-N 3.35Å; V266-I279 HydrophobicContact CB-CD1 4.23Å; V266-I279 HydrophobicContact CG1-CD1 4.12Å; V266-I279 HydrophobicContact CG1-CG1 4.42Å; V266-L332 HydrophobicContact CG2-CD1 4.3Å; V266-L332 HydrophobicContact CG2-CD2 3.86Å
267	V	97.7	Very high	96.6	Very high	6 Å²	6	41.3 Å²	41.3	4%	0.036	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-120.9	129.6	168.8	-178.2	0	0	0	0	108.3	V170 M173 R251 N272 L332	V170-V267 HydrophobicContact CG1-CG2 3.89Å; M173-V267 HydrophobicContact CE-CG2 3.94Å; R251-V267 HydrophobicContact CB-CB 4.1Å; R251-V267 HydrophobicContact CG-CB 4.24Å; R251-V267 HydrophobicContact CG-CG1 4.46Å; R251-V267 PolarHBondContact NH1-O 3.37Å; R251-V267 PolarHBondContact O-N 3.45Å; R251-V267 VanDerWaalsContact O-N 3.07Å; V267-N272 WeakPolarHBondContact CA-O 3.47Å; V267-L332 HydrophobicContact CG2-CD2 4.12Å
268	D	94.8	Very high	96.6	Very high	45 Å²	45	42.6 Å²	42.6	24%	0.241	21%	0.212	C	C	.	.			trans	-72.8	-176.4	-179.3	72.9	17.6	0	0	0	112.6	R251 D270 G271 N272 V274	R251-D268 VanDerWaalsContact CD-O 3.22Å; R251-D268 WeakPolarHBondContact CD-O 3.34Å; D268-D270 VanDerWaalsContact C-N 3.26Å; D268-D270 PolarHBondContact O-N 2.82Å; D268-D270 WeakPolarHBondContact OD1-CA 3.21Å; D268-D270 PolarHBondContact OD1-N 3.34Å; D268-G271 PolarHBondContact OD1-N 3.39Å; D268-N272 PolarHBondContact N-O 2.79Å; D268-N272 PolarHBondContact OD1-N 2.89Å; D268-N272 PolarHBondContact OD1-ND2 2.76Å; D268-N272 WeakPolarHBondContact OD2-CB 3.23Å; D268-N272 PolarHBondContact OD2-ND2 2.99Å; D268-V274 HydrophobicContact CB-CG2 4.29Å
269	R	93.3	Very high	96.6	Very high	226 Å²	226	39.5 Å²	39.5	85%	0.853	20%	0.198	S	C	*	.	S	Bend	trans	-70.9	-22	-178.2	-66.4	-176.9	-179.6	-179.6	1.4	113.4
270	D	91.9	Very high	96.7	Very high	132 Å²	132	39.6 Å²	39.6	71%	0.706	20%	0.198	S	C	*	.	S	Bend	trans	-95	-11.9	-177.7	-60.4	-55	0	0	0	112.3	D268	D268-D270 VanDerWaalsContact C-N 3.26Å; D268-D270 PolarHBondContact O-N 2.82Å; D268-D270 WeakPolarHBondContact OD1-CA 3.21Å; D268-D270 PolarHBondContact OD1-N 3.34Å
271	G	91.7	Very high	96.7	Very high	13 Å²	13	39.4 Å²	39.4	13%	0.134	20%	0.197	C	C	.	.	S	Bend	trans	104.1	7.1	174.6	0	0	0	0	0	115	K174 D268	K174-G271 PolarHBondContact NZ-O 2.94Å; D268-G271 PolarHBondContact OD1-N 3.39Å
272	N	94.6	Very high	96.7	Very high	37 Å²	37	39.9 Å²	39.9	20%	0.198	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-82.6	163.7	177.9	-36.1	-73.7	0	0	0	111	S36 V267 D268 V274	S36-N272 PolarHBondContact OG-OD1 3.22Å; V267-N272 WeakPolarHBondContact CA-O 3.47Å; D268-N272 PolarHBondContact N-O 2.79Å; D268-N272 PolarHBondContact OD1-N 2.89Å; D268-N272 PolarHBondContact OD1-ND2 2.76Å; D268-N272 WeakPolarHBondContact OD2-CB 3.23Å; D268-N272 PolarHBondContact OD2-ND2 2.99Å; N272-V274 PolarHBondContact O-N 3.12Å
273	L	96.3	Very high	96.7	Very high	16 Å²	16	39.7 Å²	39.7	8%	0.084	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-64.8	127.1	168.6	170.9	59.8	0	0	0	110	D43 C167 V170 R171 K275 P276 I279 L406	D43-L273 VanDerWaalsContact OD1-CB 3.31Å; D43-L273 WeakPolarHBondContact OD1-CB 3.3Å; D43-L273 PolarHBondContact OD1-N 2.83Å; C167-L273 HydrophobicContact CB-CD2 4.19Å; V170-L273 HydrophobicContact CB-CD1 3.99Å; V170-L273 HydrophobicContact CG1-CD1 3.76Å; R171-L273 HydrophobicContact CG-CD2 4.07Å; L273-K275 PolarHBondContact O-N 2.84Å; L273-P276 HydrophobicContact CD2-CG 4.39Å; L273-I279 HydrophobicContact CD1-CD1 3.73Å; L273-L406 HydrophobicContact CD2-CD1 4.18Å
274	V	96.6	Very high	96.6	Very high	18 Å²	18	43.8 Å²	43.8	11%	0.109	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-59	136.7	168.7	171.1	0	0	0	0	108.5	V266 D268 N272 E278 I279	V266-V274 PolarHBondContact O-N 3.35Å; D268-V274 HydrophobicContact CB-CG2 4.29Å; N272-V274 PolarHBondContact O-N 3.12Å; V274-E278 HydrophobicContact CG1-CB 4.07Å; V274-I279 HydrophobicContact CB-CD1 4.28Å; V274-I279 HydrophobicContact CB-CG1 4.19Å; V274-I279 HydrophobicContact CG1-CG1 4.03Å; V274-I279 VanDerWaalsContact O-CD1 3.27Å; V274-I279 WeakPolarHBondContact O-CD1 3.37Å
275	K	95.8	Very high	96.6	Very high	130 Å²	130	47.9 Å²	47.9	57%	0.565	23%	0.231	S	C	*	.	P	Polyproline II helix	trans	-56.2	135.8	-163.7	-53.1	-167.7	-160.1	70.2	0	110.7	L273 A277 E278 I279	L273-K275 PolarHBondContact O-N 2.84Å; K275-A277 PolarHBondContact O-N 2.93Å; K275-A277 VanDerWaalsContact O-N 3.08Å; K275-E278 HydrophobicContact CB-CB 4.45Å; K275-E278 HydrophobicContact CB-CG 4.01Å; K275-E278 VanDerWaalsContact CD-OE1 3.32Å; K275-E278 WeakPolarHBondContact CD-OE1 3.48Å; K275-E278 IonicContact NZ-OE1 2.6Å; K275-E278 PolarHBondContact NZ-OE1 3.34Å; K275-E278 IonicContact NZ-OE2 3.8Å; K275-E278 WeakPolarHBondContact O-CA 3.39Å; K275-E278 WeakPolarHBondContact O-CB 3.38Å; K275-E278 PolarHBondContact O-N 3.22Å; K275-I279 PolarHBondContact O-N 3.31Å; K275-I279 VanDerWaalsContact O-N 3.13Å
276	P	96.4	Very high	96.6	Very high	28 Å²	28	45 Å²	45	18%	0.182	22%	0.216	C	C	.	.	H	α-helix	trans	-53.7	-35.7	-175.7	-30.2	35.5	0	0	0	114.6	T163 L273 E278 I279 H280 L406 V407	T163-P276 WeakPolarHBondContact CG2-O 3.45Å; L273-P276 HydrophobicContact CD2-CG 4.39Å; P276-E278 VanDerWaalsContact C-N 3.33Å; P276-E278 PolarHBondContact O-N 2.86Å; P276-I279 PolarHBondContact O-N 2.84Å; P276-H280 WeakPolarHBondContact O-CB 3.21Å; P276-H280 PolarHBondContact O-N 2.98Å; P276-L406 HydrophobicContact CB-CB 4.05Å; P276-L406 HydrophobicContact CG-CB 3.87Å; P276-L406 HydrophobicContact CG-CD1 4.1Å; P276-V407 HydrophobicContact CB-CG2 3.62Å
277	A	96.6	Very high	96.6	Very high	39 Å²	39	46.6 Å²	46.6	32%	0.322	22%	0.224	S	C	.	.	H	α-helix	trans	-70.5	-22.4	175.4	0	0	0	0	0	114.4	K275 S281 A414	K275-A277 PolarHBondContact O-N 2.93Å; K275-A277 VanDerWaalsContact O-N 3.08Å; A277-S281 PolarHBondContact O-N 2.94Å; A277-S281 PolarHBondContact O-OG 3.5Å; A277-A414 HydrophobicContact CB-CB 4.02Å; A277-A414 WeakPolarHBondContact O-CB 3.49Å; A277-A414 PolarHBondContact O-N 2.99Å
278	E	97.4	Very high	96.6	Very high	40 Å²	40	50.3 Å²	50.3	19%	0.187	25%	0.251	C	S	.	.	H	α-helix	trans	-79.5	-46.1	174	-62	170.8	-168.5	0	0	109.4	V274 K275 P276 H280 S281 H282 A414 V416	V274-E278 HydrophobicContact CG1-CB 4.07Å; K275-E278 HydrophobicContact CB-CB 4.45Å; K275-E278 HydrophobicContact CB-CG 4.01Å; K275-E278 VanDerWaalsContact CD-OE1 3.32Å; K275-E278 WeakPolarHBondContact CD-OE1 3.48Å; K275-E278 IonicContact NZ-OE1 2.6Å; K275-E278 PolarHBondContact NZ-OE1 3.34Å; K275-E278 IonicContact NZ-OE2 3.8Å; K275-E278 WeakPolarHBondContact O-CA 3.39Å; K275-E278 WeakPolarHBondContact O-CB 3.38Å; K275-E278 PolarHBondContact O-N 3.22Å; P276-E278 VanDerWaalsContact C-N 3.33Å; P276-E278 PolarHBondContact O-N 2.86Å; E278-H280 VanDerWaalsContact C-N 3.29Å; E278-H280 PolarHBondContact O-N 3.42Å; E278-S281 WeakPolarHBondContact O-CA 3.32Å; E278-S281 WeakPolarHBondContact O-CB 3.37Å; E278-S281 PolarHBondContact O-N 3.25Å; E278-H282 PolarHBondContact O-CD2 2.8Å; E278-H282 VanDerWaalsContact O-CG 3.31Å; E278-H282 PolarHBondContact O-N 3.01Å; E278-A414 HydrophobicContact CG-CB 3.87Å; E278-V416 HydrophobicContact CB-CG2 4.4Å; E278-V416 HydrophobicContact CG-CG1 3.88Å; E278-V416 HydrophobicContact CG-CG2 4.4Å
279	I	98.3	Very high	96.7	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-56.2	-43.9	170.3	-61.5	-179.4	0	0	0	110.8	T163 V166 F264 V266 L273 V274 K275 P276 S281 H282 L283	T163-I279 HydrophobicContact CG2-CG2 4.28Å; V166-I279 HydrophobicContact CB-CG2 4.41Å; V166-I279 HydrophobicContact CG1-CD1 4.37Å; V166-I279 HydrophobicContact CG1-CG2 3.91Å; F264-I279 HydrophobicContact CE2-CG1 4.47Å; F264-I279 HydrophobicContact CE2-CG2 4.21Å; F264-I279 HydrophobicContact CZ-CG2 4.35Å; V266-I279 HydrophobicContact CB-CD1 4.23Å; V266-I279 HydrophobicContact CG1-CD1 4.12Å; V266-I279 HydrophobicContact CG1-CG1 4.42Å; L273-I279 HydrophobicContact CD1-CD1 3.73Å; V274-I279 HydrophobicContact CB-CD1 4.28Å; V274-I279 HydrophobicContact CB-CG1 4.19Å; V274-I279 HydrophobicContact CG1-CG1 4.03Å; V274-I279 VanDerWaalsContact O-CD1 3.27Å; V274-I279 WeakPolarHBondContact O-CD1 3.37Å; K275-I279 PolarHBondContact O-N 3.31Å; K275-I279 VanDerWaalsContact O-N 3.13Å; P276-I279 PolarHBondContact O-N 2.84Å; I279-S281 VanDerWaalsContact C-N 3.27Å; I279-S281 PolarHBondContact O-N 3.21Å; I279-H282 PolarHBondContact O-N 2.89Å; I279-L283 HydrophobicContact CG2-CD1 3.96Å; I279-L283 HydrophobicContact CG2-CG 4.36Å; I279-L283 WeakPolarHBondContact O-CG 3.47Å; I279-L283 PolarHBondContact O-N 2.83Å
280	H	98.1	Very high	96.8	Very high	8 Å²	8	44.3 Å²	44.3	4%	0.037	25%	0.245	C	C	.	.	H	α-helix	trans	-55.7	-41.6	173.9	-167.3	67.8	0	0	0	112.3	L159 T163 P276 E278 K284	L159-H280 VanDerWaalsContact CG-CE1 3.45Å; L159-H280 WeakPolarHBondContact CG-CE1 3.48Å; T163-H280 HydrophobicContact CG2-CB 3.86Å; T163-H280 PolarHBondContact OG1-ND1 2.92Å; P276-H280 WeakPolarHBondContact O-CB 3.21Å; P276-H280 PolarHBondContact O-N 2.98Å; E278-H280 VanDerWaalsContact C-N 3.29Å; E278-H280 PolarHBondContact O-N 3.42Å; H280-K284 WeakPolarHBondContact O-CB 3.04Å; H280-K284 PolarHBondContact O-N 2.81Å
281	S	98.4	Very high	97	Very high	8 Å²	8	39.4 Å²	39.4	6%	0.056	22%	0.22	C	C	.	.	H	α-helix	trans	-69.1	-42.1	-179.7	-54	0	0	0	0	111.7	A277 E278 I279 K284 Y285 P413 A414	A277-S281 PolarHBondContact O-N 2.94Å; A277-S281 PolarHBondContact O-OG 3.5Å; E278-S281 WeakPolarHBondContact O-CA 3.32Å; E278-S281 WeakPolarHBondContact O-CB 3.37Å; E278-S281 PolarHBondContact O-N 3.25Å; I279-S281 VanDerWaalsContact C-N 3.27Å; I279-S281 PolarHBondContact O-N 3.21Å; S281-K284 PolarHBondContact O-N 2.73Å; S281-Y285 WeakPolarHBondContact O-CB 3.49Å; S281-Y285 PolarHBondContact O-N 2.76Å; S281-P413 WeakPolarHBondContact OG-CB 3.42Å; S281-A414 PolarHBondContact OG-N 2.83Å; S281-A414 PolarHBondContact OG-O 2.91Å
282	H	98.6	Very high	97.2	Very high	14 Å²	14	43.6 Å²	43.6	7%	0.065	25%	0.245	C	C	.	.	H	α-helix	trans	-66.4	-41	176.7	-59.7	-19.6	0	0	0	112.3	F264 E278 I279 Y285 I286 S418 V422	F264-H282 HydrophobicContact CD1-CB 4.13Å; F264-H282 HydrophobicContact CD2-CB 3.93Å; F264-H282 AromaticContact CD2-CD2 3.55Å; F264-H282 HydrophobicContact CE1-CB 4.04Å; F264-H282 HydrophobicContact CE2-CB 3.83Å; F264-H282 AromaticContact CE2-CD2 3.95Å; F264-H282 HydrophobicContact CG-CB 4.08Å; F264-H282 HydrophobicContact CZ-CB 3.89Å; E278-H282 PolarHBondContact O-CD2 2.8Å; E278-H282 VanDerWaalsContact O-CG 3.31Å; E278-H282 PolarHBondContact O-N 3.01Å; I279-H282 PolarHBondContact O-N 2.89Å; H282-Y285 WeakPolarHBondContact O-CB 3.24Å; H282-Y285 PolarHBondContact O-N 3.29Å; H282-I286 WeakPolarHBondContact O-CG1 3.36Å; H282-I286 PolarHBondContact O-N 2.72Å; H282-S418 PolarHBondContact ND1-OG 2.88Å; H282-V422 HydrophobicContact CB-CG2 3.72Å
283	L	98.6	Very high	97.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-68.1	-39.5	173.7	-67.2	175.3	0	0	0	111.9	L159 V166 V255 F264 I279 Y285 I286 L287 L335	L159-L283 HydrophobicContact CD1-CB 3.79Å; V166-L283 HydrophobicContact CG2-CD1 4.44Å; V255-L283 HydrophobicContact CG2-CD2 4.2Å; F264-L283 HydrophobicContact CE1-CD2 4.05Å; F264-L283 HydrophobicContact CZ-CD2 3.92Å; F264-L283 HydrophobicContact CZ-CG 4.1Å; I279-L283 HydrophobicContact CG2-CD1 3.96Å; I279-L283 HydrophobicContact CG2-CG 4.36Å; I279-L283 WeakPolarHBondContact O-CG 3.47Å; I279-L283 PolarHBondContact O-N 2.83Å; L283-Y285 VanDerWaalsContact C-N 3.33Å; L283-Y285 PolarHBondContact O-N 2.82Å; L283-I286 PolarHBondContact O-N 3.36Å; L283-L287 WeakPolarHBondContact O-CG 3.44Å; L283-L287 PolarHBondContact O-N 3.48Å; L283-L335 HydrophobicContact CD2-CD2 3.6Å
284	K	98.1	Very high	97.1	Very high	94 Å²	94	46.3 Å²	46.3	41%	0.409	27%	0.271	S	S	.	.	H	α-helix	trans	-62.5	-39.7	173.8	-174.2	171.9	-177	170.3	0	111.8	L159 H280 S281 L287 S288 P413	L159-K284 HydrophobicContact CD1-CB 4.01Å; L159-K284 HydrophobicContact CD2-CB 3.81Å; L159-K284 HydrophobicContact CD2-CD 4.05Å; L159-K284 HydrophobicContact CD2-CG 3.93Å; H280-K284 WeakPolarHBondContact O-CB 3.04Å; H280-K284 PolarHBondContact O-N 2.81Å; S281-K284 PolarHBondContact O-N 2.73Å; K284-L287 PolarHBondContact O-N 3.26Å; K284-S288 VanDerWaalsContact O-CB 3.3Å; K284-S288 WeakPolarHBondContact O-CB 3.35Å; K284-S288 PolarHBondContact O-N 2.95Å; K284-S288 PolarHBondContact O-OG 3.15Å; K284-P413 HydrophobicContact CD-CG 3.71Å
285	Y	98.4	Very high	97	Very high	91 Å²	91	51 Å²	51	36%	0.357	30%	0.304	S	S	.	.	H	α-helix	trans	-60.4	-49.2	173.5	176.6	-97	0	0	0	111.1	S281 H282 L283 L287 S288 D289 A419 V422	S281-Y285 WeakPolarHBondContact O-CB 3.49Å; S281-Y285 PolarHBondContact O-N 2.76Å; H282-Y285 WeakPolarHBondContact O-CB 3.24Å; H282-Y285 PolarHBondContact O-N 3.29Å; L283-Y285 VanDerWaalsContact C-N 3.33Å; L283-Y285 PolarHBondContact O-N 2.82Å; Y285-L287 VanDerWaalsContact C-N 3.35Å; Y285-L287 PolarHBondContact O-N 3.11Å; Y285-S288 CarbonylContact O-C 3.59Å; Y285-S288 PolarHBondContact O-N 3.12Å; Y285-D289 PolarHBondContact O-N 3.22Å; Y285-A419 HydrophobicContact CE2-CB 4.08Å; Y285-V422 HydrophobicContact CD1-CB 3.99Å; Y285-V422 HydrophobicContact CD1-CG1 4.27Å; Y285-V422 HydrophobicContact CD1-CG2 4.08Å; Y285-V422 HydrophobicContact CE1-CB 4.05Å; Y285-V422 HydrophobicContact CE1-CG1 4.35Å
286	I	98.6	Very high	97	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62.3	-38.3	177.4	-65.7	163.4	0	0	0	112.3	V255 R257 Y262 F264 H282 L283 S288 D289 L337 V422	V255-I286 HydrophobicContact CB-CD1 4.07Å; V255-I286 HydrophobicContact CG1-CD1 4.24Å; V255-I286 HydrophobicContact CG1-CG2 4.07Å; V255-I286 HydrophobicContact CG2-CD1 4.04Å; R257-I286 HydrophobicContact CB-CG2 4.23Å; R257-I286 WeakPolarHBondContact CD-O 3.28Å; R257-I286 PolarHBondContact NH1-O 3.16Å; Y262-I286 HydrophobicContact CD1-CG1 4.08Å; Y262-I286 HydrophobicContact CD2-CG2 3.84Å; Y262-I286 HydrophobicContact CE2-CG2 3.94Å; Y262-I286 HydrophobicContact CG-CD1 4.24Å; Y262-I286 HydrophobicContact CG-CG1 4.04Å; Y262-I286 HydrophobicContact CG-CG2 4.2Å; F264-I286 HydrophobicContact CD1-CD1 3.98Å; F264-I286 HydrophobicContact CE1-CD1 3.74Å; H282-I286 WeakPolarHBondContact O-CG1 3.36Å; H282-I286 PolarHBondContact O-N 2.72Å; L283-I286 PolarHBondContact O-N 3.36Å; I286-S288 VanDerWaalsContact C-N 3.32Å; I286-D289 WeakPolarHBondContact O-CB 3.42Å; I286-D289 PolarHBondContact O-N 2.62Å; I286-L337 HydrophobicContact CG2-CD1 4.31Å; I286-V422 HydrophobicContact CD1-CG1 3.84Å; I286-V422 HydrophobicContact CG1-CG1 3.79Å
287	L	98	Very high	96.9	Very high	33 Å²	33	45.7 Å²	45.7	17%	0.173	28%	0.281	C	S	.	.	H	α-helix	trans	-70	-27.5	174.2	-74.4	170	0	0	0	113	L159 R257 L283 K284 Y285 L337	L159-L287 HydrophobicContact CB-CD1 3.81Å; L159-L287 HydrophobicContact CD1-CD1 4.05Å; L159-L287 HydrophobicContact CG-CD1 4.43Å; R257-L287 PolarHBondContact NH1-O 3.04Å; R257-L287 VanDerWaalsContact NH1-O 3.11Å; R257-L287 PolarHBondContact NH2-O 2.65Å; L283-L287 WeakPolarHBondContact O-CG 3.44Å; L283-L287 PolarHBondContact O-N 3.48Å; K284-L287 PolarHBondContact O-N 3.26Å; Y285-L287 VanDerWaalsContact C-N 3.35Å; Y285-L287 PolarHBondContact O-N 3.11Å; L287-L337 HydrophobicContact CD2-CB 4.35Å; L287-L337 HydrophobicContact CD2-CD1 3.97Å; L287-L337 HydrophobicContact CG-CD1 4.08Å
288	S	97.2	Very high	97	Very high	84 Å²	84	44.3 Å²	44.3	59%	0.587	27%	0.269	S	S	*	.	H	α-helix	trans	-84.4	-13.7	176.7	-53.7	0	0	0	0	113.2	K284 Y285 I286 S290	K284-S288 VanDerWaalsContact O-CB 3.3Å; K284-S288 WeakPolarHBondContact O-CB 3.35Å; K284-S288 PolarHBondContact O-N 2.95Å; K284-S288 PolarHBondContact O-OG 3.15Å; Y285-S288 CarbonylContact O-C 3.59Å; Y285-S288 PolarHBondContact O-N 3.12Å; I286-S288 VanDerWaalsContact C-N 3.32Å; S288-S290 PolarHBondContact O-N 2.83Å
289	D	97.4	Very high	97	Very high	28 Å²	28	42.4 Å²	42.4	15%	0.15	26%	0.26	C	S	.	.			trans	-59.2	126.6	178.4	-163.9	-44.5	0	0	0	110.5	R257 Y262 Y285 I286 T291	R257-D289 PolarHBondContact NH1-O 3.15Å; Y262-D289 WeakPolarHBondContact CE1-OD2 3.49Å; Y262-D289 PolarHBondContact OH-OD2 2.95Å; Y285-D289 PolarHBondContact O-N 3.22Å; I286-D289 WeakPolarHBondContact O-CB 3.42Å; I286-D289 PolarHBondContact O-N 2.62Å; D289-T291 WeakPolarHBondContact OD1-CB 3.27Å; D289-T291 PolarHBondContact OD1-N 3.43Å; D289-T291 PolarHBondContact OD1-OG1 3.41Å
290	S	96.4	Very high	97	Very high	117 Å²	117	42.4 Å²	42.4	82%	0.818	26%	0.26	S	S	*	.			trans	-94.1	1.8	-177.2	57.6	0	0	0	0	113.7	S288	S288-S290 PolarHBondContact O-N 2.83Å
291	T	95.8	Very high	97	Very high	30 Å²	30	42 Å²	42	18%	0.184	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-55.3	130.1	176.6	-57.3	0	0	0	0	110.3	D289	D289-T291 WeakPolarHBondContact OD1-CB 3.27Å; D289-T291 PolarHBondContact OD1-N 3.43Å; D289-T291 PolarHBondContact OD1-OG1 3.41Å
292	P	95.1	Very high	97	Very high	101 Å²	101	41.7 Å²	41.7	66%	0.656	26%	0.255	S	S	*	.	P	Polyproline II helix	trans	-65.8	168	175.5	28.8	-35.9	0	0	0	111.6	N260	N260-P292 PolarHBondContact ND2-O 2.64Å
293	A	94.8	Very high	97	Very high	64 Å²	64	41.5 Å²	41.5	53%	0.529	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-60.3	138.2	167.7	0	0	0	0	0	110.1	K258	K258-A293 HydrophobicContact CB-CB 4.27Å; K258-A293 VanDerWaalsContact O-CA 3.31Å; K258-A293 WeakPolarHBondContact O-CA 3.36Å; K258-A293 WeakPolarHBondContact O-CB 3.44Å
294	P	94.8	Very high	97	Very high	46 Å²	46	42.2 Å²	42.2	30%	0.299	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-60.9	140.3	173.9	-21.2	33.5	0	0	0	110.6	K258 L296	K258-P294 WeakPolarHBondContact O-CD 3.48Å; P294-L296 PolarHBondContact O-N 2.88Å; P294-L296 VanDerWaalsContact O-N 3.15Å
295	S	93.6	Very high	97.1	Very high	117 Å²	117	40.5 Å²	40.5	82%	0.818	25%	0.254	S	S	*	.	S	Bend	trans	-63.3	-16.6	171.9	52.3	0	0	0	0	113.3
296	L	96.1	Very high	97.1	Very high	28 Å²	28	36.1 Å²	36.1	15%	0.147	24%	0.237	C	C	.	.	S	Bend	trans	-135.6	80.2	178	-65.4	174.9	0	0	0	109.1	P294 L298 L429 E434 I437 K438	P294-L296 PolarHBondContact O-N 2.88Å; P294-L296 VanDerWaalsContact O-N 3.15Å; L296-L298 PolarHBondContact O-N 3.4Å; L296-L429 HydrophobicContact CB-CD1 4.01Å; L296-L429 HydrophobicContact CD1-CD1 4.05Å; L296-E434 HydrophobicContact CD1-CB 3.81Å; L296-E434 HydrophobicContact CD1-CG 3.57Å; L296-I437 HydrophobicContact CB-CD1 4.1Å; L296-I437 HydrophobicContact CB-CG2 3.89Å; L296-I437 HydrophobicContact CD2-CB 4.22Å; L296-I437 HydrophobicContact CD2-CG2 3.85Å; L296-I437 HydrophobicContact CG-CG2 4.48Å; L296-K438 HydrophobicContact CD2-CD 4.45Å; L296-K438 HydrophobicContact CD2-CG 3.9Å
297	P	95.6	Very high	97.1	Very high	18 Å²	18	38.8 Å²	38.8	12%	0.117	25%	0.251	C	S	.	.			trans	-75.3	110	-174.8	29.2	-32.6	0	0	0	110.9	G299 I300 C358	P297-G299 PolarHBondContact O-N 2.93Å; P297-G299 VanDerWaalsContact O-N 3.1Å; P297-I300 VanDerWaalsContact O-CG2 3.25Å; P297-I300 WeakPolarHBondContact O-CG2 3.41Å; P297-I300 PolarHBondContact O-N 3.34Å; P297-C358 HydrophobicContact CB-CB 3.73Å; P297-C358 HydrophobicContact CG-CB 3.8Å
298	L	97.1	Very high	97.1	Very high	10 Å²	10	40.4 Å²	40.4	5%	0.052	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-60	-27.8	-169.2	-167	69.9	0	0	0	114.7	M261 L296 I300 L301 L316 W361 F427 L429 I437	M261-L298 HydrophobicContact CE-CB 4.13Å; L296-L298 PolarHBondContact O-N 3.4Å; L298-I300 PolarHBondContact O-N 3.38Å; L298-I300 VanDerWaalsContact O-N 3.13Å; L298-L301 HydrophobicContact CD1-CD1 3.66Å; L298-L301 HydrophobicContact CD1-CG 4.45Å; L298-L301 PolarHBondContact O-N 3.43Å; L298-L301 VanDerWaalsContact O-N 3.15Å; L298-L316 HydrophobicContact CD1-CD1 4.07Å; L298-L316 HydrophobicContact CD1-CD2 3.97Å; L298-L316 HydrophobicContact CD2-CD1 4.47Å; L298-W361 HydrophobicContact CD2-CZ3 4.46Å; L298-W361 HydrophobicContact CG-CZ3 4.41Å; L298-F427 HydrophobicContact CD2-CB 4.33Å; L298-F427 HydrophobicContact CD2-CD1 3.45Å; L298-F427 VanDerWaalsContact CD2-CD1 3.45Å; L298-F427 HydrophobicContact CD2-CD2 3.76Å; L298-F427 HydrophobicContact CD2-CE1 3.5Å; L298-F427 HydrophobicContact CD2-CE2 3.81Å; L298-F427 HydrophobicContact CD2-CG 3.58Å; L298-F427 HydrophobicContact CD2-CZ 3.69Å; L298-L429 HydrophobicContact CD1-CD2 4.13Å; L298-I437 HydrophobicContact CD1-CD1 3.94Å
299	G	97.2	Very high	97.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-55.2	-31.3	-178.5	0	0	0	0	0	114	P297 L301 T302 R360	P297-G299 PolarHBondContact O-N 2.93Å; P297-G299 VanDerWaalsContact O-N 3.1Å; G299-L301 PolarHBondContact O-N 3.47Å; G299-L301 VanDerWaalsContact O-N 3.12Å; G299-T302 PolarHBondContact O-N 2.95Å; G299-T302 PolarHBondContact O-OG1 2.88Å; G299-R360 WeakPolarHBondContact CA-O 3.23Å
300	I	98.6	Very high	97.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-57.9	-29.5	-179.5	-161.8	68.8	0	0	0	112.8	P297 L298 T302 S303 G357 I437 A440 K441 F444	P297-I300 VanDerWaalsContact O-CG2 3.25Å; P297-I300 WeakPolarHBondContact O-CG2 3.41Å; P297-I300 PolarHBondContact O-N 3.34Å; L298-I300 PolarHBondContact O-N 3.38Å; L298-I300 VanDerWaalsContact O-N 3.13Å; I300-T302 PolarHBondContact O-N 3.25Å; I300-S303 WeakPolarHBondContact O-CB 3.23Å; I300-S303 PolarHBondContact O-N 2.77Å; I300-S303 PolarHBondContact O-OG 2.87Å; I300-G357 WeakPolarHBondContact CA-O 3.29Å; I300-G357 WeakPolarHBondContact CD1-O 3.3Å; I300-G357 PolarHBondContact N-O 2.89Å; I300-I437 HydrophobicContact CG2-CB 4.47Å; I300-I437 HydrophobicContact CG2-CG2 3.85Å; I300-A440 HydrophobicContact CG1-CB 4.04Å; I300-A440 HydrophobicContact CG2-CB 3.96Å; I300-K441 HydrophobicContact CD1-CD 3.63Å; I300-K441 HydrophobicContact CG1-CB 4.12Å; I300-K441 HydrophobicContact CG1-CD 4.02Å; I300-F444 HydrophobicContact CD1-CB 3.72Å; I300-F444 HydrophobicContact CD1-CD1 4.13Å; I300-F444 HydrophobicContact CD1-CD2 3.99Å; I300-F444 HydrophobicContact CD1-CG 3.69Å
301	L	98.7	Very high	97.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-63	-25.9	178.9	-62.6	-174.7	0	0	0	113	L298 G299 S303 E304 W309 L312 L316 I437 A440	L298-L301 HydrophobicContact CD1-CD1 3.66Å; L298-L301 HydrophobicContact CD1-CG 4.45Å; L298-L301 PolarHBondContact O-N 3.43Å; L298-L301 VanDerWaalsContact O-N 3.15Å; G299-L301 PolarHBondContact O-N 3.47Å; G299-L301 VanDerWaalsContact O-N 3.12Å; L301-S303 PolarHBondContact O-N 2.82Å; L301-E304 PolarHBondContact O-N 2.97Å; L301-W309 HydrophobicContact CB-CD2 4.11Å; L301-W309 HydrophobicContact CB-CE3 3.61Å; L301-W309 HydrophobicContact CB-CH2 3.97Å; L301-W309 HydrophobicContact CB-CZ2 4.41Å; L301-W309 HydrophobicContact CB-CZ3 3.55Å; L301-W309 HydrophobicContact CD1-CE3 4.22Å; L301-W309 HydrophobicContact CD1-CH2 4.32Å; L301-W309 HydrophobicContact CD1-CZ3 3.62Å; L301-W309 HydrophobicContact CG-CE3 4.49Å; L301-W309 HydrophobicContact CG-CZ3 4.23Å; L301-W309 VanDerWaalsContact O-CG 3.23Å; L301-L312 HydrophobicContact CD2-CD1 3.87Å; L301-L316 HydrophobicContact CD1-CD1 4.22Å; L301-I437 HydrophobicContact CD1-CG1 3.89Å; L301-I437 HydrophobicContact CD2-CB 4.39Å; L301-I437 HydrophobicContact CD2-CG1 3.74Å; L301-I437 HydrophobicContact CG-CG1 3.83Å; L301-A440 HydrophobicContact CD2-CB 3.93Å
302	T	98.8	Very high	97.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-70.8	-8.9	174.5	63.1	0	0	0	0	113.4	V137 G299 I300 R306 W309 W361 Y362 D363	V137-T302 WeakPolarHBondContact CG2-O 3.45Å; G299-T302 PolarHBondContact O-N 2.95Å; G299-T302 PolarHBondContact O-OG1 2.88Å; I300-T302 PolarHBondContact O-N 3.25Å; T302-R306 PolarHBondContact O-NH1 2.87Å; T302-W309 HydrophobicContact CG2-CZ2 3.89Å; T302-W361 HydrophobicContact CG2-CD2 3.49Å; T302-W361 VanDerWaalsContact CG2-CD2 3.49Å; T302-W361 VanDerWaalsContact CG2-CE2 3.48Å; T302-W361 HydrophobicContact CG2-CE3 3.66Å; T302-W361 HydrophobicContact CG2-CG 4.06Å; T302-W361 HydrophobicContact CG2-CH2 3.86Å; T302-W361 HydrophobicContact CG2-CZ2 3.69Å; T302-W361 HydrophobicContact CG2-CZ3 3.83Å; T302-Y362 VanDerWaalsContact OG1-CD2 3.22Å; T302-Y362 WeakPolarHBondContact OG1-CD2 3.48Å; T302-Y362 PolarHBondContact OG1-N 3.21Å; T302-D363 HydrophobicContact CG2-CB 4.32Å; T302-D363 WeakPolarHBondContact CG2-OD2 3.41Å
303	S	98.8	Very high	97.7	Very high	10 Å²	10	26.2 Å²	26.2	7%	0.07	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-96.6	1.4	174.7	75.2	0	0	0	0	114.6	S136 I300 L301	S136-S303 VanDerWaalsContact CB-O 3.24Å; S136-S303 WeakPolarHBondContact CB-O 3.44Å; S136-S303 PolarHBondContact OG-O 2.95Å; I300-S303 WeakPolarHBondContact O-CB 3.23Å; I300-S303 PolarHBondContact O-N 2.77Å; I300-S303 PolarHBondContact O-OG 2.87Å; L301-S303 PolarHBondContact O-N 2.82Å
304	E	98.7	Very high	97.8	Very high	15 Å²	15	27.8 Å²	27.8	7%	0.07	16%	0.163	C	C	.	.	S	Bend	trans	-75.6	168.2	176.6	-97.2	-65.5	169.3	0	0	114.1	L301 V308 W309 A440 N443	L301-E304 PolarHBondContact O-N 2.97Å; E304-V308 HydrophobicContact CB-CG1 4.4Å; E304-V308 HydrophobicContact CG-CG1 4.13Å; E304-W309 HydrophobicContact CB-CB 4.07Å; E304-A440 HydrophobicContact CG-CB 3.66Å; E304-A440 WeakPolarHBondContact OE1-CA 3.21Å; E304-N443 PolarHBondContact OE1-ND2 2.8Å
305	N	98.7	Very high	98	Very high	58 Å²	58	27.9 Å²	27.9	31%	0.31	16%	0.159	S	C	.	.			trans	-51	138.3	160.7	169.1	-72.9	0	0	0	110	R134 D307 V308 W309	R134-N305 CarbonylContact O-C 3.58Å; R134-N305 WeakPolarHBondContact O-CA 3.4Å; R134-N305 VanDerWaalsContact O-CG 3.28Å; R134-N305 PolarHBondContact O-ND2 3.25Å; N305-D307 VanDerWaalsContact C-N 3.33Å; N305-D307 PolarHBondContact O-N 3.49Å; N305-D307 PolarHBondContact OD1-N 3.21Å; N305-V308 HydrophobicContact CB-CB 4.16Å; N305-V308 HydrophobicContact CB-CG2 3.94Å; N305-V308 WeakPolarHBondContact O-CB 3.3Å; N305-V308 PolarHBondContact O-N 2.97Å; N305-V308 VanDerWaalsContact O-N 3.14Å; N305-V308 PolarHBondContact OD1-N 2.91Å; N305-W309 WeakPolarHBondContact O-CB 3.2Å; N305-W309 PolarHBondContact O-N 3.37Å
306	R	98.8	Very high	98.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-66.4	-29.8	-168.9	-51.9	-50.8	-64.4	176.6	-3.8	113.9	R134 D135 D242 T302 A310 D363	R134-R306 PolarHBondContact O-N 2.99Å; D135-R306 WeakPolarHBondContact O-CD 3.47Å; D135-R306 WeakPolarHBondContact O-CG 3.31Å; D242-R306 IonicContact OD2-CZ 2.78Å; D242-R306 IonicContact OD2-NE 2.75Å; D242-R306 PolarHBondContact OD2-NE 3.43Å; D242-R306 IonicContact OD2-NH2 2.63Å; D242-R306 PolarHBondContact OD2-NH2 3.03Å; T302-R306 PolarHBondContact O-NH1 2.87Å; R306-A310 VanDerWaalsContact O-CB 3.25Å; R306-A310 WeakPolarHBondContact O-CB 3.38Å; R306-A310 PolarHBondContact O-N 3.47Å; R306-D363 IonicContact CZ-OD1 3.45Å; R306-D363 IonicContact NH1-OD1 3.38Å; R306-D363 PolarHBondContact NH1-OD1 2.76Å; R306-D363 IonicContact NH2-OD1 3.59Å; R306-D363 PolarHBondContact NH2-OD1 2.88Å
307	D	98.7	Very high	98.3	Very high	55 Å²	55	23.8 Å²	23.8	29%	0.294	13%	0.13	S	C	.	.	H	α-helix	trans	-78.6	-34.9	174.8	-67.8	-31.7	0	0	0	112	R134 R239 G240 N305 A310 G311	R134-D307 VanDerWaalsContact CD-CG 3.43Å; R134-D307 WeakPolarHBondContact CD-OD1 3.24Å; R134-D307 WeakPolarHBondContact CD-OD2 3.17Å; R134-D307 IonicContact CZ-OD1 3.1Å; R134-D307 IonicContact NE-OD1 2.72Å; R134-D307 IonicContact NH1-OD1 3.26Å; R134-D307 PolarHBondContact NH1-OD1 3.05Å; R239-D307 VanDerWaalsContact CA-OD1 3.29Å; R239-D307 WeakPolarHBondContact CA-OD1 3.45Å; G240-D307 PolarHBondContact N-OD1 2.97Å; N305-D307 VanDerWaalsContact C-N 3.33Å; N305-D307 PolarHBondContact O-N 3.49Å; N305-D307 PolarHBondContact OD1-N 3.21Å; D307-A310 PolarHBondContact O-N 3.17Å; D307-G311 PolarHBondContact O-N 3.03Å; D307-G311 VanDerWaalsContact O-N 3.14Å
308	V	98.6	Very high	98.4	Very high	67 Å²	67	26.8 Å²	26.8	41%	0.406	16%	0.157	S	C	.	.	H	α-helix	trans	-64.1	-49.1	172.2	176	0	0	0	0	110.1	E304 N305 A310 G311 L312	E304-V308 HydrophobicContact CB-CG1 4.4Å; E304-V308 HydrophobicContact CG-CG1 4.13Å; N305-V308 HydrophobicContact CB-CB 4.16Å; N305-V308 HydrophobicContact CB-CG2 3.94Å; N305-V308 WeakPolarHBondContact O-CB 3.3Å; N305-V308 PolarHBondContact O-N 2.97Å; N305-V308 VanDerWaalsContact O-N 3.14Å; N305-V308 PolarHBondContact OD1-N 2.91Å; V308-A310 VanDerWaalsContact C-N 3.35Å; V308-A310 PolarHBondContact O-N 2.87Å; V308-G311 PolarHBondContact O-N 3.41Å; V308-L312 HydrophobicContact CG1-CD1 4.06Å; V308-L312 PolarHBondContact O-N 2.65Å
309	W	98.8	Very high	98.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64.1	-38.3	176.4	-178.4	-154.8	0	0	0	111.6	P237 L301 T302 E304 N305 G311 L312 R313 L316 W361 D363	P237-W309 HydrophobicContact CB-CB 4.27Å; P237-W309 HydrophobicContact CB-CG 3.99Å; P237-W309 HydrophobicContact CG-CB 4.49Å; P237-W309 HydrophobicContact CG-CD2 4.04Å; P237-W309 HydrophobicContact CG-CG 3.78Å; L301-W309 HydrophobicContact CB-CD2 4.11Å; L301-W309 HydrophobicContact CB-CE3 3.61Å; L301-W309 HydrophobicContact CB-CH2 3.97Å; L301-W309 HydrophobicContact CB-CZ2 4.41Å; L301-W309 HydrophobicContact CB-CZ3 3.55Å; L301-W309 HydrophobicContact CD1-CE3 4.22Å; L301-W309 HydrophobicContact CD1-CH2 4.32Å; L301-W309 HydrophobicContact CD1-CZ3 3.62Å; L301-W309 HydrophobicContact CG-CE3 4.49Å; L301-W309 HydrophobicContact CG-CZ3 4.23Å; L301-W309 VanDerWaalsContact O-CG 3.23Å; T302-W309 HydrophobicContact CG2-CZ2 3.89Å; E304-W309 HydrophobicContact CB-CB 4.07Å; N305-W309 WeakPolarHBondContact O-CB 3.2Å; N305-W309 PolarHBondContact O-N 3.37Å; W309-G311 VanDerWaalsContact C-N 3.34Å; W309-G311 PolarHBondContact O-N 2.93Å; W309-L312 HydrophobicContact CE3-CB 4.05Å; W309-L312 HydrophobicContact CZ3-CB 4.39Å; W309-L312 PolarHBondContact O-N 3.49Å; W309-R313 HydrophobicContact CD2-CB 4.27Å; W309-R313 HydrophobicContact CE3-CB 3.85Å; W309-R313 HydrophobicContact CH2-CB 3.96Å; W309-R313 HydrophobicContact CH2-CG 3.86Å; W309-R313 HydrophobicContact CZ2-CB 4.36Å; W309-R313 HydrophobicContact CZ2-CG 4.15Å; W309-R313 HydrophobicContact CZ3-CB 3.67Å; W309-R313 HydrophobicContact CZ3-CG 4.11Å; W309-R313 WeakPolarHBondContact O-CB 3.18Å; W309-R313 PolarHBondContact O-N 3.25Å; W309-L316 HydrophobicContact CH2-CD1 3.71Å; W309-L316 HydrophobicContact CZ3-CD1 3.68Å; W309-W361 AromaticContact CH2-CH2 3.97Å; W309-W361 HydrophobicContact CH2-CH2 3.97Å; W309-W361 AromaticContact CZ2-CH2 3.77Å; W309-W361 HydrophobicContact CZ2-CH2 3.77Å; W309-W361 AromaticContact CZ2-CZ2 3.91Å; W309-W361 HydrophobicContact CZ2-CZ2 3.91Å; W309-D363 PolarHBondContact NE1-OD2 3.37Å
310	A	98.8	Very high	98.4	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.008	19%	0.191	C	C	.	.	H	α-helix	trans	-56.1	-47.8	173.4	0	0	0	0	0	111.8	P237 R239 R306 D307 V308 R313 E314	P237-A310 HydrophobicContact CB-CB 4.15Å; R239-A310 HydrophobicContact CG-CB 4.28Å; R306-A310 VanDerWaalsContact O-CB 3.25Å; R306-A310 WeakPolarHBondContact O-CB 3.38Å; R306-A310 PolarHBondContact O-N 3.47Å; D307-A310 PolarHBondContact O-N 3.17Å; V308-A310 VanDerWaalsContact C-N 3.35Å; V308-A310 PolarHBondContact O-N 2.87Å; A310-R313 PolarHBondContact O-N 2.92Å; A310-E314 WeakPolarHBondContact O-CB 3.34Å; A310-E314 VanDerWaalsContact O-CG 3.25Å; A310-E314 WeakPolarHBondContact O-CG 3.42Å; A310-E314 PolarHBondContact O-N 3.03Å
311	G	98.7	Very high	98.4	Very high	19 Å²	19	30.9 Å²	30.9	20%	0.196	19%	0.192	C	C	.	.	H	α-helix	trans	-63.9	-45.2	177.2	0	0	0	0	0	113.7	D307 V308 W309 R313 E314 K315	D307-G311 PolarHBondContact O-N 3.03Å; D307-G311 VanDerWaalsContact O-N 3.14Å; V308-G311 PolarHBondContact O-N 3.41Å; W309-G311 VanDerWaalsContact C-N 3.34Å; W309-G311 PolarHBondContact O-N 2.93Å; G311-R313 VanDerWaalsContact C-N 3.29Å; G311-R313 PolarHBondContact O-N 2.92Å; G311-E314 WeakPolarHBondContact O-CB 3.42Å; G311-E314 PolarHBondContact O-N 2.9Å; G311-K315 PolarHBondContact O-N 3.11Å
312	L	98.8	Very high	98.3	Very high	19 Å²	19	34.8 Å²	34.8	10%	0.099	22%	0.217	C	C	.	.	H	α-helix	trans	-66.2	-31.7	176.9	-68.3	172.9	0	0	0	112.1	L301 V308 W309 K315 L316 L433	L301-L312 HydrophobicContact CD2-CD1 3.87Å; V308-L312 HydrophobicContact CG1-CD1 4.06Å; V308-L312 PolarHBondContact O-N 2.65Å; W309-L312 HydrophobicContact CE3-CB 4.05Å; W309-L312 HydrophobicContact CZ3-CB 4.39Å; W309-L312 PolarHBondContact O-N 3.49Å; L312-K315 PolarHBondContact O-N 3.16Å; L312-L316 WeakPolarHBondContact O-CG 3.43Å; L312-L316 PolarHBondContact O-N 2.66Å; L312-L433 HydrophobicContact CD2-CD2 4.3Å; L312-L433 WeakPolarHBondContact O-CD2 3.36Å
313	R	98.6	Very high	98.3	Very high	24 Å²	24	40.3 Å²	40.3	9%	0.091	24%	0.242	C	C	.	.	H	α-helix	trans	-75.3	-37.7	175.6	-160.5	178.4	-171.2	-69.7	-3.4	112.7	P237 W309 A310 G311 K315 L316 V317 L325 D329	P237-R313 HydrophobicContact CG-CB 4.15Å; P237-R313 HydrophobicContact CG-CG 4.42Å; W309-R313 HydrophobicContact CD2-CB 4.27Å; W309-R313 HydrophobicContact CE3-CB 3.85Å; W309-R313 HydrophobicContact CH2-CB 3.96Å; W309-R313 HydrophobicContact CH2-CG 3.86Å; W309-R313 HydrophobicContact CZ2-CB 4.36Å; W309-R313 HydrophobicContact CZ2-CG 4.15Å; W309-R313 HydrophobicContact CZ3-CB 3.67Å; W309-R313 HydrophobicContact CZ3-CG 4.11Å; W309-R313 WeakPolarHBondContact O-CB 3.18Å; W309-R313 PolarHBondContact O-N 3.25Å; A310-R313 PolarHBondContact O-N 2.92Å; G311-R313 VanDerWaalsContact C-N 3.29Å; G311-R313 PolarHBondContact O-N 2.92Å; R313-K315 PolarHBondContact O-N 2.95Å; R313-L316 PolarHBondContact O-N 3.42Å; R313-V317 WeakPolarHBondContact O-CG2 3.41Å; R313-V317 PolarHBondContact O-N 3.32Å; R313-V317 VanDerWaalsContact O-N 3.16Å; R313-L325 HydrophobicContact CG-CD1 4.36Å; R313-D329 IonicContact CZ-OD1 2.67Å; R313-D329 IonicContact CZ-OD2 3.87Å; R313-D329 IonicContact NH2-OD1 2.35Å; R313-D329 PolarHBondContact NH2-OD1 3.15Å; R313-D329 IonicContact NH2-OD2 2.76Å; R313-D329 PolarHBondContact NH2-OD2 2.99Å
314	E	98.4	Very high	98.3	Very high	97 Å²	97	40.2 Å²	40.2	45%	0.453	24%	0.242	S	C	.	.	H	α-helix	trans	-54.8	-44.1	166.3	-74.4	164.5	173.9	0	0	109.8	R239 A310 G311 V317 A318	R239-E314 IonicContact CZ-OE2 3.67Å; R239-E314 IonicContact NE-OE1 3.55Å; R239-E314 IonicContact NE-OE2 2.69Å; R239-E314 PolarHBondContact NE-OE2 2.98Å; R239-E314 IonicContact NH2-OE2 3.81Å; R239-E314 PolarHBondContact NH2-OE2 3.22Å; A310-E314 WeakPolarHBondContact O-CB 3.34Å; A310-E314 VanDerWaalsContact O-CG 3.25Å; A310-E314 WeakPolarHBondContact O-CG 3.42Å; A310-E314 PolarHBondContact O-N 3.03Å; G311-E314 WeakPolarHBondContact O-CB 3.42Å; G311-E314 PolarHBondContact O-N 2.9Å; E314-V317 PolarHBondContact O-N 3.3Å; E314-A318 PolarHBondContact O-N 2.84Å
315	K	98.1	Very high	98.2	Very high	48 Å²	48	39.6 Å²	39.6	21%	0.209	24%	0.239	C	C	.	.	H	α-helix	trans	-69	-39	178	-171.8	65.5	-175.2	-62.7	0	114	G311 L312 R313 V317 A318 T319 D430 E432 L433	G311-K315 PolarHBondContact O-N 3.11Å; L312-K315 PolarHBondContact O-N 3.16Å; R313-K315 PolarHBondContact O-N 2.95Å; K315-V317 VanDerWaalsContact C-N 3.33Å; K315-V317 PolarHBondContact O-N 2.96Å; K315-A318 PolarHBondContact O-N 2.65Å; K315-T319 WeakPolarHBondContact O-CB 3.44Å; K315-T319 PolarHBondContact O-N 3.49Å; K315-T319 PolarHBondContact O-OG1 3.08Å; K315-D430 IonicContact NZ-OD1 2.62Å; K315-D430 PolarHBondContact NZ-OD1 3.12Å; K315-D430 IonicContact NZ-OD2 3.91Å; K315-D430 PolarHBondContact NZ-OD2 2.76Å; K315-E432 IonicContact NZ-OE2 2.99Å; K315-E432 PolarHBondContact NZ-OE2 2.74Å; K315-L433 HydrophobicContact CB-CD2 4.03Å; K315-L433 HydrophobicContact CB-CG 4.47Å; K315-L433 HydrophobicContact CG-CD1 4.17Å; K315-L433 HydrophobicContact CG-CD2 4Å; K315-L433 HydrophobicContact CG-CG 3.88Å
316	L	98.2	Very high	98.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-57.5	-46	172.9	-77.8	168.2	0	0	0	111.4	L298 L301 W309 L312 R313 T319 G320 N321 L325 L429 L433	L298-L316 HydrophobicContact CD1-CD1 4.07Å; L298-L316 HydrophobicContact CD1-CD2 3.97Å; L298-L316 HydrophobicContact CD2-CD1 4.47Å; L301-L316 HydrophobicContact CD1-CD1 4.22Å; W309-L316 HydrophobicContact CH2-CD1 3.71Å; W309-L316 HydrophobicContact CZ3-CD1 3.68Å; L312-L316 WeakPolarHBondContact O-CG 3.43Å; L312-L316 PolarHBondContact O-N 2.66Å; R313-L316 PolarHBondContact O-N 3.42Å; L316-T319 PolarHBondContact O-N 3.2Å; L316-G320 PolarHBondContact O-N 3.11Å; L316-N321 HydrophobicContact CB-CB 4.33Å; L316-N321 VanDerWaalsContact O-CB 3.26Å; L316-N321 WeakPolarHBondContact O-CB 3.27Å; L316-N321 PolarHBondContact O-N 2.89Å; L316-N321 VanDerWaalsContact O-N 3.1Å; L316-N321 PolarHBondContact O-ND2 3.42Å; L316-L325 HydrophobicContact CB-CD1 3.82Å; L316-L325 HydrophobicContact CD1-CD1 4.42Å; L316-L325 HydrophobicContact CD1-CD2 4.39Å; L316-L429 HydrophobicContact CD2-CD2 3.98Å; L316-L433 HydrophobicContact CD2-CD1 3.82Å; L316-L433 HydrophobicContact CD2-CD2 3.95Å; L316-L433 HydrophobicContact CD2-CG 4.47Å; L316-L433 HydrophobicContact CG-CD1 4.32Å; L316-L433 HydrophobicContact CG-CD2 3.76Å
317	V	97.9	Very high	98.2	Very high	58 Å²	58	40 Å²	40	35%	0.352	25%	0.249	S	C	.	.	H	α-helix	trans	-61.1	-45.6	176.4	170.9	0	0	0	0	110.9	R313 E314 K315 T319 G320 L325	R313-V317 WeakPolarHBondContact O-CG2 3.41Å; R313-V317 PolarHBondContact O-N 3.32Å; R313-V317 VanDerWaalsContact O-N 3.16Å; E314-V317 PolarHBondContact O-N 3.3Å; K315-V317 VanDerWaalsContact C-N 3.33Å; K315-V317 PolarHBondContact O-N 2.96Å; V317-T319 PolarHBondContact O-N 2.79Å; V317-G320 PolarHBondContact O-N 2.93Å; V317-L325 HydrophobicContact CG2-CD1 3.78Å
318	A	97.7	Very high	98.2	Very high	82 Å²	82	37.4 Å²	37.4	68%	0.678	24%	0.235	S	C	*	.	H	α-helix	trans	-62.7	-29.1	176.8	0	0	0	0	0	113.6	E314 K315 G320	E314-A318 PolarHBondContact O-N 2.84Å; K315-A318 PolarHBondContact O-N 2.65Å; A318-G320 PolarHBondContact O-N 3.17Å
319	T	96.6	Very high	98.2	Very high	39 Å²	39	35 Å²	35	24%	0.239	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	13.9	176.7	-41.7	0	0	0	0	112.2	K315 L316 V317 H428 L433	K315-T319 WeakPolarHBondContact O-CB 3.44Å; K315-T319 PolarHBondContact O-N 3.49Å; K315-T319 PolarHBondContact O-OG1 3.08Å; L316-T319 PolarHBondContact O-N 3.2Å; V317-T319 PolarHBondContact O-N 2.79Å; T319-H428 HydrophobicContact CG2-CB 4.11Å; T319-H428 WeakPolarHBondContact CG2-O 3.05Å; T319-L433 HydrophobicContact CG2-CD1 4.46Å
320	G	97	Very high	98.2	Very high	53 Å²	53	36 Å²	36	55%	0.546	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.3	2.4	172	0	0	0	0	0	115.9	L316 V317 A318 T322	L316-G320 PolarHBondContact O-N 3.11Å; V317-G320 PolarHBondContact O-N 2.93Å; A318-G320 PolarHBondContact O-N 3.17Å; G320-T322 PolarHBondContact O-N 2.86Å
321	N	98.3	Very high	98.2	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.016	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	10.3	-174.3	-59.9	-76.3	0	0	0	114.9	L316 E323 A324 L325 F427 H428	L316-N321 HydrophobicContact CB-CB 4.33Å; L316-N321 VanDerWaalsContact O-CB 3.26Å; L316-N321 WeakPolarHBondContact O-CB 3.27Å; L316-N321 PolarHBondContact O-N 2.89Å; L316-N321 VanDerWaalsContact O-N 3.1Å; L316-N321 PolarHBondContact O-ND2 3.42Å; N321-E323 VanDerWaalsContact C-N 3.32Å; N321-E323 PolarHBondContact O-N 2.68Å; N321-A324 PolarHBondContact O-N 3.43Å; N321-L325 HydrophobicContact CB-CD1 4.47Å; N321-L325 HydrophobicContact CB-CG 4.47Å; N321-L325 PolarHBondContact O-N 3.49Å; N321-F427 HydrophobicContact CB-CD1 4.04Å; N321-F427 WeakPolarHBondContact OD1-CA 3.26Å; N321-H428 PolarHBondContact ND2-O 3.18Å; N321-H428 PolarHBondContact OD1-N 2.94Å
322	T	97.9	Very high	98.2	Very high	83 Å²	83	35 Å²	35	51%	0.509	22%	0.216	S	C	.	.	H	α-helix	trans	-56.1	-40.6	-171.8	-47.3	0	0	0	0	113.4	G320 G326	G320-T322 PolarHBondContact O-N 2.86Å; T322-G326 PolarHBondContact O-N 2.9Å
323	E	98	Very high	98.2	Very high	115 Å²	115	34.1 Å²	34.1	54%	0.537	21%	0.212	S	C	.	.	H	α-helix	trans	-68.9	-47.8	178.3	-166	-156.3	-178.9	0	0	111.5	N321 L325 G326 L327 R423	N321-E323 VanDerWaalsContact C-N 3.32Å; N321-E323 PolarHBondContact O-N 2.68Å; E323-L325 PolarHBondContact O-N 3.42Å; E323-G326 PolarHBondContact O-N 2.96Å; E323-G326 VanDerWaalsContact O-N 3.17Å; E323-L327 WeakPolarHBondContact O-CG 3.4Å; E323-L327 PolarHBondContact O-N 3.16Å; E323-R423 VanDerWaalsContact CD-NH1 3.32Å; E323-R423 IonicContact OE1-CZ 2.73Å; E323-R423 IonicContact OE1-NH1 3.29Å; E323-R423 PolarHBondContact OE1-NH1 3.25Å; E323-R423 IonicContact OE1-NH2 3.74Å; E323-R423 IonicContact OE2-CZ 3.2Å; E323-R423 IonicContact OE2-NH1 2.83Å; E323-R423 PolarHBondContact OE2-NH1 2.88Å; E323-R423 IonicContact OE2-NH2 2.76Å; E323-R423 PolarHBondContact OE2-NH2 3.14Å
324	A	98.3	Very high	98.2	Very high	8 Å²	8	33 Å²	33	7%	0.066	21%	0.207	C	C	.	.	H	α-helix	trans	-64.5	-41.1	-179.1	0	0	0	0	0	112	N321 L327 V328 F427	N321-A324 PolarHBondContact O-N 3.43Å; A324-L327 PolarHBondContact O-N 2.89Å; A324-V328 WeakPolarHBondContact O-CG2 3.47Å; A324-V328 PolarHBondContact O-N 3.46Å; A324-V328 VanDerWaalsContact O-N 3.08Å; A324-F427 HydrophobicContact CB-CD1 4.01Å; A324-F427 HydrophobicContact CB-CE1 3.47Å; A324-F427 VanDerWaalsContact CB-CE1 3.47Å; A324-F427 HydrophobicContact CB-CZ 3.82Å
325	L	98.4	Very high	98.3	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.016	19%	0.186	C	C	.	.	H	α-helix	trans	-63.9	-42.2	171.2	-74.8	176.1	0	0	0	111.9	R313 L316 V317 N321 E323 L327 V328 D329 W361 F427	R313-L325 HydrophobicContact CG-CD1 4.36Å; L316-L325 HydrophobicContact CB-CD1 3.82Å; L316-L325 HydrophobicContact CD1-CD1 4.42Å; L316-L325 HydrophobicContact CD1-CD2 4.39Å; V317-L325 HydrophobicContact CG2-CD1 3.78Å; N321-L325 HydrophobicContact CB-CD1 4.47Å; N321-L325 HydrophobicContact CB-CG 4.47Å; N321-L325 PolarHBondContact O-N 3.49Å; E323-L325 PolarHBondContact O-N 3.42Å; L325-L327 VanDerWaalsContact C-N 3.28Å; L325-L327 PolarHBondContact O-N 3.22Å; L325-V328 PolarHBondContact O-N 2.92Å; L325-D329 WeakPolarHBondContact O-CB 3.33Å; L325-D329 PolarHBondContact O-N 3.03Å; L325-W361 HydrophobicContact CD2-CH2 4.17Å; L325-W361 HydrophobicContact CD2-CZ2 4.46Å; L325-F427 HydrophobicContact CD2-CE1 4.38Å; L325-F427 HydrophobicContact CG-CE1 4.45Å
326	G	98.3	Very high	98.3	Very high	31 Å²	31	26 Å²	26	32%	0.32	18%	0.176	S	C	.	.	H	α-helix	trans	-59.7	-37.3	175.5	0	0	0	0	0	113	T322 E323 S330	T322-G326 PolarHBondContact O-N 2.9Å; E323-G326 PolarHBondContact O-N 2.96Å; E323-G326 VanDerWaalsContact O-N 3.17Å; G326-S330 VanDerWaalsContact O-CB 3.3Å; G326-S330 WeakPolarHBondContact O-CB 2.88Å; G326-S330 PolarHBondContact O-N 3.35Å; G326-S330 PolarHBondContact O-OG 2.92Å
327	L	98.7	Very high	98.3	Very high	36 Å²	36	26 Å²	26	19%	0.188	18%	0.176	C	C	.	.	H	α-helix	trans	-66.9	-43.9	173.7	-70.5	166.9	0	0	0	111.8	H252 V263 E323 A324 L325 A331 L425	H252-L327 PolarHBondContact NE2-O 3.41Å; V263-L327 HydrophobicContact CG1-CB 4.49Å; V263-L327 HydrophobicContact CG2-CD1 4.36Å; E323-L327 WeakPolarHBondContact O-CG 3.4Å; E323-L327 PolarHBondContact O-N 3.16Å; A324-L327 PolarHBondContact O-N 2.89Å; L325-L327 VanDerWaalsContact C-N 3.28Å; L325-L327 PolarHBondContact O-N 3.22Å; L327-A331 WeakPolarHBondContact O-CB 3.1Å; L327-A331 PolarHBondContact O-N 3.05Å; L327-A331 VanDerWaalsContact O-N 3.1Å; L327-L425 HydrophobicContact CD1-CD2 3.84Å
328	V	98.8	Very high	98.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61	-47.4	174.3	168.2	0	0	0	0	111.5	L254 M261 A324 L325 W361 K364 L425 F427	L254-V328 HydrophobicContact CD1-CG2 4.16Å; L254-V328 HydrophobicContact CD2-CB 4.38Å; L254-V328 HydrophobicContact CD2-CG1 3.95Å; L254-V328 HydrophobicContact CD2-CG2 4.27Å; M261-V328 HydrophobicContact SD-CG2 4.1Å; A324-V328 WeakPolarHBondContact O-CG2 3.47Å; A324-V328 PolarHBondContact O-N 3.46Å; A324-V328 VanDerWaalsContact O-N 3.08Å; L325-V328 PolarHBondContact O-N 2.92Å; V328-W361 HydrophobicContact CG1-CD2 3.7Å; V328-W361 HydrophobicContact CG1-CE3 4.31Å; V328-W361 HydrophobicContact CG1-CG 4.1Å; V328-W361 HydrophobicContact CG1-CH2 4.3Å; V328-W361 HydrophobicContact CG1-CZ2 3.68Å; V328-K364 PolarHBondContact O-NZ 3.38Å; V328-L425 HydrophobicContact CG2-CD1 3.68Å; V328-F427 HydrophobicContact CG2-CZ 4.38Å
329	D	98.6	Very high	98.2	Very high	17 Å²	17	23.5 Å²	23.5	9%	0.091	15%	0.146	C	C	.	.	H	α-helix	trans	-62	-46.9	-178.7	-71.3	-18.2	0	0	0	112.4	T234 L245 R313 L325 K364	T234-D329 HydrophobicContact CG2-CB 3.8Å; L245-D329 HydrophobicContact CD2-CB 4.24Å; R313-D329 IonicContact CZ-OD1 2.67Å; R313-D329 IonicContact CZ-OD2 3.87Å; R313-D329 IonicContact NH2-OD1 2.35Å; R313-D329 PolarHBondContact NH2-OD1 3.15Å; R313-D329 IonicContact NH2-OD2 2.76Å; R313-D329 PolarHBondContact NH2-OD2 2.99Å; L325-D329 WeakPolarHBondContact O-CB 3.33Å; L325-D329 PolarHBondContact O-N 3.03Å; D329-K364 PolarHBondContact O-NZ 2.79Å
330	S	98.6	Very high	98.1	Very high	19 Å²	19	26.1 Å²	26.1	13%	0.133	16%	0.156	C	C	.	.	H	α-helix	trans	-89.1	-9.9	-172	63.4	0	0	0	0	115.2	N232 H252 G326	N232-S330 PolarHBondContact ND2-O 3.22Å; H252-S330 PolarHBondContact CE1-OG 2.9Å; H252-S330 VanDerWaalsContact CE1-OG 3.28Å; G326-S330 VanDerWaalsContact O-CB 3.3Å; G326-S330 WeakPolarHBondContact O-CB 2.88Å; G326-S330 PolarHBondContact O-N 3.35Å; G326-S330 PolarHBondContact O-OG 2.92Å
331	A	98.8	Very high	98.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	-55.5	147.5	176.2	0	0	0	0	0	112.3	N232 H252 L254 L327 F333 K364	N232-A331 WeakPolarHBondContact CA-O 3.34Å; H252-A331 WeakPolarHBondContact NE2-CA 3.31Å; H252-A331 PolarHBondContact NE2-N 3Å; H252-A331 CarbonylContact O-C 3.59Å; H252-A331 VanDerWaalsContact O-CA 3.3Å; H252-A331 WeakPolarHBondContact O-CA 3.36Å; L254-A331 HydrophobicContact CB-CB 3.62Å; L327-A331 WeakPolarHBondContact O-CB 3.1Å; L327-A331 PolarHBondContact O-N 3.05Å; L327-A331 VanDerWaalsContact O-N 3.1Å; A331-F333 VanDerWaalsContact C-N 3.35Å; A331-F333 PolarHBondContact O-N 3.41Å; A331-K364 WeakPolarHBondContact O-CE 3.47Å; A331-K364 PolarHBondContact O-NZ 2.97Å
332	L	98.8	Very high	97.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.153	C	C	.	.	S	Bend	trans	-53.6	-49.4	-174.6	-87.5	73.9	0	0	0	112.3	V170 M173 F231 N232 G250 H252 V266 V267	V170-L332 HydrophobicContact CG2-CD2 3.91Å; M173-L332 HydrophobicContact CE-CD2 3.59Å; M173-L332 HydrophobicContact CE-CG 4.31Å; M173-L332 HydrophobicContact SD-CD2 3.58Å; M173-L332 VanDerWaalsContact SD-CD2 3.58Å; M173-L332 HydrophobicContact SD-CG 3.83Å; F231-L332 CarbonylContact C-O 3.57Å; F231-L332 VanDerWaalsContact CA-O 3.25Å; F231-L332 WeakPolarHBondContact CA-O 3.42Å; N232-L332 PolarHBondContact N-O 3.32Å; G250-L332 WeakPolarHBondContact O-CD1 3.44Å; H252-L332 VanDerWaalsContact O-CD1 3.27Å; H252-L332 WeakPolarHBondContact O-CD1 3.48Å; H252-L332 PolarHBondContact O-N 3.49Å; V266-L332 HydrophobicContact CG2-CD1 4.3Å; V266-L332 HydrophobicContact CG2-CD2 3.86Å; V267-L332 HydrophobicContact CG2-CD2 4.12Å
333	F	98.9	Very high	97.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.161	C	C	.	.			trans	-158.1	-177	171.7	57.1	-86.9	0	0	0	107.8	V166 A169 F231 L253 L254 A331 F366 I368	V166-F333 HydrophobicContact CG2-CZ 4.2Å; A169-F333 HydrophobicContact CB-CD1 4.48Å; A169-F333 HydrophobicContact CB-CE1 3.64Å; A169-F333 HydrophobicContact CB-CZ 3.74Å; F231-F333 HydrophobicContact CD1-CD1 4.25Å; F231-F333 HydrophobicContact CE1-CD1 4.23Å; L253-F333 HydrophobicContact CD1-CD1 4.34Å; L253-F333 HydrophobicContact CD1-CD2 3.79Å; L253-F333 HydrophobicContact CD1-CE1 4.07Å; L253-F333 HydrophobicContact CD1-CE2 3.48Å; L253-F333 VanDerWaalsContact CD1-CE2 3.48Å; L253-F333 HydrophobicContact CD1-CG 4.2Å; L253-F333 HydrophobicContact CD1-CZ 3.62Å; L254-F333 PolarHBondContact N-O 3.07Å; A331-F333 VanDerWaalsContact C-N 3.35Å; A331-F333 PolarHBondContact O-N 3.41Å; F333-F366 HydrophobicContact CB-CD2 4.11Å; F333-F366 HydrophobicContact CB-CE1 4.07Å; F333-F366 HydrophobicContact CB-CE2 3.58Å; F333-F366 HydrophobicContact CB-CZ 3.55Å; F333-F366 HydrophobicContact CD1-CE2 4.35Å; F333-F366 HydrophobicContact CD1-CZ 4.08Å; F333-F366 AromaticContact CD2-CE2 3.85Å; F333-F366 HydrophobicContact CD2-CE2 3.85Å; F333-F366 HydrophobicContact CD2-CZ 4.39Å; F333-F366 AromaticContact CG-CE2 3.67Å; F333-F366 HydrophobicContact CG-CE2 3.67Å; F333-F366 AromaticContact CG-CZ 3.77Å; F333-F366 HydrophobicContact CG-CZ 3.77Å; F333-I368 HydrophobicContact CD2-CD1 4.11Å; F333-I368 HydrophobicContact CD2-CG1 4.04Å; F333-I368 HydrophobicContact CE2-CD1 3.62Å; F333-I368 HydrophobicContact CE2-CG1 3.98Å; F333-I368 HydrophobicContact CZ-CD1 4.17Å
334	C	98.9	Very high	97.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	134.9	172.3	-170.9	0	0	0	0	111.1	L254 K364 F366 S367 I368	L254-C334 HydrophobicContact CD2-CB 4.22Å; L254-C334 CarbonylContact O-C 3.52Å; L254-C334 WeakPolarHBondContact O-CA 3.49Å; C334-K364 HydrophobicContact CB-CB 4.4Å; C334-K364 HydrophobicContact CB-CG 4.12Å; C334-F366 PolarHBondContact N-O 3.23Å; C334-S367 CarbonylContact O-C 3.49Å; C334-S367 WeakPolarHBondContact O-CA 3.26Å; C334-I368 PolarHBondContact O-N 3Å
335	L	98.9	Very high	97	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	118.9	169.1	173.6	67.8	0	0	0	108.7	V166 L253 L254 V255 M256 L283 L337 I368 I370	V166-L335 HydrophobicContact CG2-CD2 3.86Å; L253-L335 HydrophobicContact CD1-CB 4.19Å; L253-L335 HydrophobicContact CD2-CB 4.19Å; L253-L335 HydrophobicContact CD2-CD2 4.09Å; L253-L335 HydrophobicContact CG-CB 4.44Å; L254-L335 PolarHBondContact O-N 2.85Å; V255-L335 CarbonylContact C-O 3.56Å; V255-L335 VanDerWaalsContact CA-O 3.29Å; V255-L335 WeakPolarHBondContact CA-O 3.32Å; V255-L335 HydrophobicContact CG1-CD2 4.25Å; V255-L335 HydrophobicContact CG1-CG 4.41Å; V255-L335 HydrophobicContact CG2-CB 4.32Å; V255-L335 HydrophobicContact CG2-CD2 4.2Å; M256-L335 PolarHBondContact N-O 3.13Å; L283-L335 HydrophobicContact CD2-CD2 3.6Å; L335-L337 HydrophobicContact CD1-CD2 4.27Å; L335-L337 HydrophobicContact CD2-CD2 4.1Å; L335-L337 HydrophobicContact CD2-CG 4.3Å; L335-L337 HydrophobicContact CG-CD2 4.12Å; L335-L337 HydrophobicContact CG-CG 4.23Å; L335-I368 CarbonylContact C-O 3.43Å; L335-I368 WeakPolarHBondContact CA-O 3.4Å; L335-I368 HydrophobicContact CD1-CB 4.29Å; L335-I368 HydrophobicContact CD1-CG2 4.42Å; L335-I370 HydrophobicContact CD1-CD1 3.91Å; L335-I370 HydrophobicContact CD1-CG1 4.23Å
336	C	98.9	Very high	96.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	115.6	175.8	-52.3	0	0	0	0	109.1	N359 I368 I369 I370	C336-N359 WeakPolarHBondContact CB-O 3.21Å; C336-N359 PolarHBondContact SG-O 3.25Å; C336-I368 PolarHBondContact N-O 3.22Å; C336-I369 HydrophobicContact CB-CB 4.42Å; C336-I369 HydrophobicContact CB-CG1 4.08Å; C336-I369 HydrophobicContact CB-CG2 4.38Å; C336-I370 PolarHBondContact O-N 2.9Å
337	L	98.8	Very high	96.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	106.7	174.7	-61.6	174.8	0	0	0	108.1	Q158 V255 M256 R257 I286 L287 L335 N359	Q158-L337 HydrophobicContact CG-CD2 4.44Å; V255-L337 HydrophobicContact CG1-CD1 3.75Å; V255-L337 HydrophobicContact CG1-CG 4.09Å; M256-L337 PolarHBondContact O-N 2.91Å; R257-L337 HydrophobicContact CB-CB 4.29Å; R257-L337 HydrophobicContact CG-CB 4.33Å; I286-L337 HydrophobicContact CG2-CD1 4.31Å; L287-L337 HydrophobicContact CD2-CB 4.35Å; L287-L337 HydrophobicContact CD2-CD1 3.97Å; L287-L337 HydrophobicContact CG-CD1 4.08Å; L335-L337 HydrophobicContact CD1-CD2 4.27Å; L335-L337 HydrophobicContact CD2-CD2 4.1Å; L335-L337 HydrophobicContact CD2-CG 4.3Å; L335-L337 HydrophobicContact CG-CD2 4.12Å; L335-L337 HydrophobicContact CG-CG 4.23Å; L337-N359 PolarHBondContact O-ND2 3.1Å
338	D	98.4	Very high	96.6	Very high	11 Å²	11	34.5 Å²	34.5	6%	0.059	17%	0.167	C	C	.	.			trans	-94.2	142.1	179.8	-64.9	-20.6	0	0	0	110.6	Q158 N351 N359 R360 I369 I370 K372	Q158-D338 PolarHBondContact NE2-O 2.71Å; D338-N351 PolarHBondContact OD2-ND2 3.22Å; D338-N351 PolarHBondContact OD2-OD1 2.72Å; D338-N359 PolarHBondContact OD1-ND2 3.13Å; D338-R360 IonicContact OD1-CZ 2.78Å; D338-R360 IonicContact OD1-NH1 3.13Å; D338-R360 PolarHBondContact OD1-NH1 3.3Å; D338-R360 IonicContact OD1-NH2 2.68Å; D338-R360 IonicContact OD2-CZ 3.39Å; D338-R360 IonicContact OD2-NH1 2.99Å; D338-R360 PolarHBondContact OD2-NH1 3.02Å; D338-R360 IonicContact OD2-NH2 3.35Å; D338-R360 PolarHBondContact OD2-NH2 3.29Å; D338-I369 WeakPolarHBondContact OD2-CG2 3.34Å; D338-I370 PolarHBondContact N-O 3.13Å; D338-I370 VanDerWaalsContact N-O 3.1Å; D338-K372 PolarHBondContact O-N 2.7Å
339	E	95.4	Very high	96.5	Very high	75 Å²	75	34.5 Å²	34.5	35%	0.35	17%	0.167	S	C	.	.	S	Bend	trans	-90.6	-3.4	-176.9	-60.1	-91.5	118.1	0	0	113	R257 K258 K372	R257-E339 IonicContact CZ-OE1 3.49Å; R257-E339 IonicContact NE-OE1 2.65Å; R257-E339 PolarHBondContact NE-OE1 2.89Å; R257-E339 VanDerWaalsContact NH2-CD 3.29Å; R257-E339 IonicContact NH2-OE1 3.68Å; R257-E339 PolarHBondContact NH2-OE1 2.93Å; R257-E339 IonicContact NH2-OE2 2.66Å; R257-E339 PolarHBondContact NH2-OE2 3.36Å; R257-E339 VanDerWaalsContact NH2-OE2 3.12Å; K258-E339 HydrophobicContact CD-CG 4.46Å; K258-E339 VanDerWaalsContact CE-CG 3.41Å; K258-E339 WeakPolarHBondContact CE-OE2 3.33Å; K258-E339 HydrophobicContact CG-CG 4.09Å; K258-E339 IonicContact NZ-OE2 3.38Å; K258-E339 PolarHBondContact NZ-OE2 3.25Å; E339-K372 WeakPolarHBondContact O-CD 3.32Å
340	E	94.2	Very high	96.5	Very high	94 Å²	94	35.7 Å²	35.7	44%	0.439	17%	0.172	S	C	.	.	P	Polyproline II helix	trans	-91.4	147.7	179.2	-174.8	159.6	-159.1	0	0	111.1	M342 H347 A371 K372	E340-M342 HydrophobicContact CB-CE 4.24Å; E340-M342 HydrophobicContact CG-CE 4.07Å; E340-H347 IonicContact OE1-CE1 2.73Å; E340-H347 PolarHBondContact OE1-CE1 3.06Å; E340-H347 IonicContact OE1-NE2 3.16Å; E340-H347 PolarHBondContact OE1-NE2 3.07Å; E340-H347 IonicContact OE2-NE2 3.38Å; E340-A371 WeakPolarHBondContact O-CB 3.05Å; E340-K372 WeakPolarHBondContact O-CB 3.35Å; E340-K372 PolarHBondContact O-N 3.1Å
341	S	95.8	Very high	96.5	Very high	56 Å²	56	35.6 Å²	35.6	39%	0.392	17%	0.169	S	C	.	.	P	Polyproline II helix	trans	-98.5	138.2	169.5	-64.4	0	0	0	0	109.2
342	M	95.4	Very high	96.4	Very high	22 Å²	22	35.6 Å²	35.6	11%	0.108	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-74.3	152.7	-177.3	-56.7	-67	94.4	0	0	110.3	E340 I348 N351 M352 A371 D373 Q375	E340-M342 HydrophobicContact CB-CE 4.24Å; E340-M342 HydrophobicContact CG-CE 4.07Å; M342-I348 HydrophobicContact CB-CD1 4.25Å; M342-I348 HydrophobicContact CB-CG1 3.63Å; M342-I348 HydrophobicContact CG-CG1 3.77Å; M342-I348 HydrophobicContact SD-CG1 4.11Å; M342-N351 HydrophobicContact CE-CB 4.14Å; M342-N351 HydrophobicContact SD-CB 3.86Å; M342-M352 HydrophobicContact SD-CE 4.21Å; M342-A371 HydrophobicContact CE-CB 4.03Å; M342-A371 HydrophobicContact CG-CB 3.93Å; M342-A371 HydrophobicContact SD-CB 4.39Å; M342-D373 WeakPolarHBondContact CA-OD2 3.22Å; M342-D373 WeakPolarHBondContact CB-OD2 3.18Å; M342-D373 PolarHBondContact N-OD2 3.43Å; M342-Q375 HydrophobicContact CB-CB 4.38Å; M342-Q375 HydrophobicContact CB-CG 4.19Å; M342-Q375 HydrophobicContact CG-CB 3.72Å; M342-Q375 HydrophobicContact CG-CG 4.09Å
343	R	93.1	Very high	96.4	Very high	181 Å²	181	35.6 Å²	35.6	68%	0.683	17%	0.17	S	C	*	.			trans	-110.9	-42.1	-172.3	-72.9	177.8	-80.9	138.9	-1.9	112.3	H347	R343-H347 HydrophobicContact CB-CB 4.16Å; R343-H347 PolarHBondContact N-ND1 2.64Å; R343-H347 PolarHBondContact NE-CE1 2.84Å; R343-H347 PolarHBondContact NE-ND1 2.86Å; R343-H347 VanDerWaalsContact NE-ND1 3.17Å; R343-H347 PolarHBondContact NH2-CD2 3.02Å; R343-H347 PolarHBondContact NH2-NE2 2.77Å
344	D	91.4	Very high	96.4	Very high	72 Å²	72	36 Å²	36	39%	0.385	17%	0.171	S	C	.	.	S	Bend	trans	-163.3	176.7	-173.5	55.2	66.4	0	0	0	109.2	I346 H347 I348	D344-I346 VanDerWaalsContact C-N 3.25Å; D344-I346 PolarHBondContact O-N 2.97Å; D344-I346 WeakPolarHBondContact OD1-CA 3.48Å; D344-I346 VanDerWaalsContact OD1-CB 3.24Å; D344-I346 WeakPolarHBondContact OD1-CB 3.43Å; D344-I346 PolarHBondContact OD1-N 3.04Å; D344-H347 PolarHBondContact O-N 3.04Å; D344-H347 PolarHBondContact OD1-N 3.23Å; D344-I348 WeakPolarHBondContact O-CG1 3.32Å; D344-I348 PolarHBondContact O-N 3.1Å
345	H	89.6	Confident	96.3	Very high	85 Å²	85	36.5 Å²	36.5	39%	0.394	18%	0.176	S	C	.	.	H	α-helix	trans	-66.2	-22.2	-178.7	-64.9	172.4	0	0	0	114.1	S349 A455 E457 L609	H345-S349 WeakPolarHBondContact O-CB 3.44Å; H345-S349 PolarHBondContact O-N 3.16Å; H345-S349 PolarHBondContact O-OG 2.61Å; H345-A455 HydrophobicContact CB-CB 4.37Å; H345-E457 IonicContact CE1-OE1 2.71Å; H345-E457 PolarHBondContact CE1-OE1 3.36Å; H345-E457 IonicContact ND1-OE1 3.17Å; H345-L609 HydrophobicContact CB-CD2 3.99Å
346	I	94.8	Very high	96.2	Very high	60 Å²	60	40.3 Å²	40.3	31%	0.308	20%	0.197	S	C	.	.	H	α-helix	trans	-75.9	-47.1	176.3	-58.1	177	0	0	0	109	D344 I348 S349 H350 I453 A454	D344-I346 VanDerWaalsContact C-N 3.25Å; D344-I346 PolarHBondContact O-N 2.97Å; D344-I346 WeakPolarHBondContact OD1-CA 3.48Å; D344-I346 VanDerWaalsContact OD1-CB 3.24Å; D344-I346 WeakPolarHBondContact OD1-CB 3.43Å; D344-I346 PolarHBondContact OD1-N 3.04Å; I346-I348 PolarHBondContact O-N 3.45Å; I346-S349 PolarHBondContact O-N 3.37Å; I346-S349 VanDerWaalsContact O-N 3.09Å; I346-H350 PolarHBondContact O-CD2 2.74Å; I346-H350 VanDerWaalsContact O-CD2 3.32Å; I346-H350 PolarHBondContact O-N 2.98Å; I346-I453 HydrophobicContact CG2-CB 4.48Å; I346-I453 WeakPolarHBondContact CG2-O 3.3Å; I346-A454 HydrophobicContact CD1-CB 4.37Å
347	H	95.8	Very high	96	Very high	20 Å²	20	40.3 Å²	40.3	9%	0.093	20%	0.197	C	C	.	.	H	α-helix	trans	-60.3	-44	175.8	-170.5	-155.2	0	0	0	111.9	E340 R343 D344 S349 H350 N351	E340-H347 IonicContact OE1-CE1 2.73Å; E340-H347 PolarHBondContact OE1-CE1 3.06Å; E340-H347 IonicContact OE1-NE2 3.16Å; E340-H347 PolarHBondContact OE1-NE2 3.07Å; E340-H347 IonicContact OE2-NE2 3.38Å; R343-H347 HydrophobicContact CB-CB 4.16Å; R343-H347 PolarHBondContact N-ND1 2.64Å; R343-H347 PolarHBondContact NE-CE1 2.84Å; R343-H347 PolarHBondContact NE-ND1 2.86Å; R343-H347 VanDerWaalsContact NE-ND1 3.17Å; R343-H347 PolarHBondContact NH2-CD2 3.02Å; R343-H347 PolarHBondContact NH2-NE2 2.77Å; D344-H347 PolarHBondContact O-N 3.04Å; D344-H347 PolarHBondContact OD1-N 3.23Å; H347-S349 VanDerWaalsContact C-N 3.34Å; H347-S349 PolarHBondContact O-N 2.79Å; H347-H350 PolarHBondContact O-N 3.46Å; H347-N351 PolarHBondContact O-N 2.99Å
348	I	96.1	Very high	95.8	Very high	13 Å²	13	41.2 Å²	41.2	7%	0.067	20%	0.203	C	C	.	.	H	α-helix	trans	-56.2	-50	170.8	-68.2	171.3	0	0	0	110	S146 M342 D344 I346 H350 N351 M352	S146-I348 WeakPolarHBondContact OG-CG2 3.41Å; M342-I348 HydrophobicContact CB-CD1 4.25Å; M342-I348 HydrophobicContact CB-CG1 3.63Å; M342-I348 HydrophobicContact CG-CG1 3.77Å; M342-I348 HydrophobicContact SD-CG1 4.11Å; D344-I348 WeakPolarHBondContact O-CG1 3.32Å; D344-I348 PolarHBondContact O-N 3.1Å; I346-I348 PolarHBondContact O-N 3.45Å; I348-H350 PolarHBondContact O-N 2.77Å; I348-N351 PolarHBondContact O-N 2.94Å; I348-M352 HydrophobicContact CG2-CG 3.89Å; I348-M352 WeakPolarHBondContact O-CB 3.41Å; I348-M352 WeakPolarHBondContact O-CG 3.18Å; I348-M352 PolarHBondContact O-N 3.16Å
349	S	97.3	Very high	95.8	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60.7	-43.1	-176.1	-62.8	0	0	0	0	113	H345 I346 H347 L353 L609 N634	H345-S349 WeakPolarHBondContact O-CB 3.44Å; H345-S349 PolarHBondContact O-N 3.16Å; H345-S349 PolarHBondContact O-OG 2.61Å; I346-S349 PolarHBondContact O-N 3.37Å; I346-S349 VanDerWaalsContact O-N 3.09Å; H347-S349 VanDerWaalsContact C-N 3.34Å; H347-S349 PolarHBondContact O-N 2.79Å; S349-L353 WeakPolarHBondContact O-CB 3.47Å; S349-L353 PolarHBondContact O-N 3Å; S349-L609 WeakPolarHBondContact OG-CD2 3.32Å; S349-N634 PolarHBondContact OG-ND2 2.81Å; S349-N634 PolarHBondContact OG-OD1 3.38Å
350	H	98.2	Very high	95.9	Very high	42 Å²	42	37.5 Å²	37.5	19%	0.194	19%	0.185	C	C	.	.	H	α-helix	trans	-64.4	-46.9	174.5	-77.8	-73.9	0	0	0	112.1	I346 H347 I348 M352 H354 G355 L451	I346-H350 PolarHBondContact O-CD2 2.74Å; I346-H350 VanDerWaalsContact O-CD2 3.32Å; I346-H350 PolarHBondContact O-N 2.98Å; H347-H350 PolarHBondContact O-N 3.46Å; I348-H350 PolarHBondContact O-N 2.77Å; H350-M352 PolarHBondContact O-N 3.33Å; H350-H354 AromaticContact CG-NE2 3.67Å; H350-H354 AromaticContact ND1-CE1 3.54Å; H350-H354 AromaticContact ND1-NE2 2.93Å; H350-H354 PolarHBondContact ND1-NE2 2.77Å; H350-H354 PolarHBondContact O-CD2 3.23Å; H350-H354 PolarHBondContact O-CE1 3.47Å; H350-H354 PolarHBondContact O-N 2.95Å; H350-H354 VanDerWaalsContact O-N 3.09Å; H350-H354 PolarHBondContact O-ND1 3.45Å; H350-H354 PolarHBondContact O-NE2 3.31Å; H350-G355 PolarHBondContact O-N 2.85Å; H350-L451 PolarHBondContact CE1-O 3.27Å
351	N	98	Very high	96.2	Very high	16 Å²	16	33 Å²	33	9%	0.086	17%	0.165	C	C	.	.	H	α-helix	trans	-65.7	-38.3	-178	-172.2	47.6	0	0	0	113.3	D338 M342 H347 I348 G355 R360	D338-N351 PolarHBondContact OD2-ND2 3.22Å; D338-N351 PolarHBondContact OD2-OD1 2.72Å; M342-N351 HydrophobicContact CE-CB 4.14Å; M342-N351 HydrophobicContact SD-CB 3.86Å; H347-N351 PolarHBondContact O-N 2.99Å; I348-N351 PolarHBondContact O-N 2.94Å; N351-G355 PolarHBondContact O-N 3.48Å; N351-R360 PolarHBondContact O-NH2 3.47Å; N351-R360 PolarHBondContact OD1-NH2 2.99Å
352	M	97.9	Very high	96.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-84.5	-28.9	-176.4	-55.7	-52	176.8	0	0	112.9	F144 M342 I348 H350 I369 A371 Q375 A377 N379	F144-M352 HydrophobicContact CB-CB 4.07Å; F144-M352 WeakPolarHBondContact CB-O 3.18Å; F144-M352 HydrophobicContact CD1-CB 4.39Å; F144-M352 HydrophobicContact CD2-CB 3.52Å; F144-M352 HydrophobicContact CD2-CG 4.45Å; F144-M352 HydrophobicContact CE2-CB 4.07Å; F144-M352 HydrophobicContact CG-CB 3.72Å; M342-M352 HydrophobicContact SD-CE 4.21Å; I348-M352 HydrophobicContact CG2-CG 3.89Å; I348-M352 WeakPolarHBondContact O-CB 3.41Å; I348-M352 WeakPolarHBondContact O-CG 3.18Å; I348-M352 PolarHBondContact O-N 3.16Å; H350-M352 PolarHBondContact O-N 3.33Å; M352-I369 HydrophobicContact CE-CG2 4.29Å; M352-I369 HydrophobicContact SD-CB 3.77Å; M352-I369 HydrophobicContact SD-CD1 4.14Å; M352-I369 HydrophobicContact SD-CG2 3.49Å; M352-I369 WeakPolarHBondContact SD-CG2 3.45Å; M352-A371 HydrophobicContact CE-CB 4.47Å; M352-Q375 HydrophobicContact CE-CB 4.47Å; M352-Q375 WeakPolarHBondContact CE-O 3.43Å; M352-A377 HydrophobicContact CB-CB 3.75Å; M352-A377 HydrophobicContact CE-CB 4.43Å; M352-A377 HydrophobicContact CG-CB 3.52Å; M352-A377 HydrophobicContact SD-CB 3.56Å; M352-A377 VanDerWaalsContact SD-CB 3.56Å; M352-N379 PolarHBondContact O-ND2 3.09Å
353	L	98.6	Very high	96.5	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-75.1	-44.2	174.3	-176.7	59.5	0	0	0	112.6	L139 N142 F144 S349 N379 L451 I453 A613	L139-L353 HydrophobicContact CD2-CD2 4.03Å; L139-L353 HydrophobicContact CD2-CG 4.13Å; N142-L353 WeakPolarHBondContact O-CD1 3.46Å; F144-L353 HydrophobicContact CD1-CB 3.67Å; F144-L353 HydrophobicContact CD1-CD1 4.15Å; F144-L353 HydrophobicContact CD1-CG 4.46Å; F144-L353 HydrophobicContact CE1-CB 4.04Å; S349-L353 WeakPolarHBondContact O-CB 3.47Å; S349-L353 PolarHBondContact O-N 3Å; L353-N379 PolarHBondContact O-ND2 3.05Å; L353-L451 HydrophobicContact CD2-CD2 3.87Å; L353-I453 HydrophobicContact CD2-CD1 4.08Å; L353-A613 HydrophobicContact CD2-CB 4.43Å
354	H	98.4	Very high	96.8	Very high	8 Å²	8	21 Å²	21	4%	0.037	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138	-41.8	-176.7	56.8	78.3	0	0	0	113.8	V138 L139 H350 Y362 F444 V448	V138-H354 HydrophobicContact CG1-CB 3.77Å; L139-H354 HydrophobicContact CD2-CB 4.19Å; H350-H354 AromaticContact CG-NE2 3.67Å; H350-H354 AromaticContact ND1-CE1 3.54Å; H350-H354 AromaticContact ND1-NE2 2.93Å; H350-H354 PolarHBondContact ND1-NE2 2.77Å; H350-H354 PolarHBondContact O-CD2 3.23Å; H350-H354 PolarHBondContact O-CE1 3.47Å; H350-H354 PolarHBondContact O-N 2.95Å; H350-H354 VanDerWaalsContact O-N 3.09Å; H350-H354 PolarHBondContact O-ND1 3.45Å; H350-H354 PolarHBondContact O-NE2 3.31Å; H354-Y362 PolarHBondContact O-OH 3.15Å; H354-F444 HydrophobicContact CB-CE2 4.3Å; H354-F444 HydrophobicContact CB-CZ 4.04Å; H354-V448 HydrophobicContact CB-CG2 4.25Å; H354-V448 WeakPolarHBondContact CE1-CG1 3.46Å
355	G	97.6	Very high	97.1	Very high	10 Å²	10	17.7 Å²	17.7	10%	0.103	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	-150.8	-171.1	0	0	0	0	0	112.5	H350 N351 F444	H350-G355 PolarHBondContact O-N 2.85Å; N351-G355 PolarHBondContact O-N 3.48Å; G355-F444 WeakPolarHBondContact O-CZ 3.24Å
356	D	96.4	Very high	97.5	Very high	81 Å²	81	13.6 Å²	13.6	43%	0.433	7%	0.073	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-3.7	-177.4	78.1	-29.4	0	0	0	114.6	C358 N359 K441 F444	D356-C358 PolarHBondContact O-N 2.92Å; D356-C358 PolarHBondContact OD1-N 3.22Å; D356-C358 WeakPolarHBondContact OD2-CB 3.36Å; D356-C358 PolarHBondContact OD2-SG 3.18Å; D356-N359 PolarHBondContact OD1-N 2.98Å; D356-N359 VanDerWaalsContact OD1-N 3.12Å; D356-K441 VanDerWaalsContact O-CE 3.24Å; D356-K441 WeakPolarHBondContact O-CE 2.92Å; D356-F444 VanDerWaalsContact C-CE1 3.44Å
357	G	95.5	Very high	97.7	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.059	C	C	.	.	S	Bend	trans	83.1	-13.8	-175	0	0	0	0	0	114.8	I300 Y362 F444	I300-G357 WeakPolarHBondContact CA-O 3.29Å; I300-G357 WeakPolarHBondContact CD1-O 3.3Å; I300-G357 PolarHBondContact N-O 2.89Å; G357-Y362 WeakPolarHBondContact CA-OH 3.15Å; G357-F444 VanDerWaalsContact N-CZ 3.26Å
358	C	94.3	Very high	97.9	Very high	19 Å²	19	9.9 Å²	9.9	13%	0.128	6%	0.055	C	C	.	.	S	Bend	trans	-93.6	-37.7	-174.5	-47	0	0	0	0	112	M256 G259 P297 D356 R360	M256-C358 WeakPolarHBondContact CE-O 3.25Å; G259-C358 WeakPolarHBondContact CA-O 3.49Å; P297-C358 HydrophobicContact CB-CB 3.73Å; P297-C358 HydrophobicContact CG-CB 3.8Å; D356-C358 PolarHBondContact O-N 2.92Å; D356-C358 PolarHBondContact OD1-N 3.22Å; D356-C358 WeakPolarHBondContact OD2-CB 3.36Å; D356-C358 PolarHBondContact OD2-SG 3.18Å; C358-R360 PolarHBondContact O-N 2.99Å
359	N	98.2	Very high	98	Very high	6 Å²	6	9.3 Å²	9.3	3%	0.032	5%	0.051	C	C	.	.	S	Bend	trans	-99.1	36.1	-172.4	-150	48.6	0	0	0	114.1	R257 K258 G259 C336 L337 D338 D356	R257-N359 WeakPolarHBondContact CA-OD1 3.38Å; R257-N359 PolarHBondContact N-OD1 3.31Å; K258-N359 PolarHBondContact N-OD1 2.73Å; G259-N359 PolarHBondContact N-OD1 3.13Å; C336-N359 WeakPolarHBondContact CB-O 3.21Å; C336-N359 PolarHBondContact SG-O 3.25Å; L337-N359 PolarHBondContact O-ND2 3.1Å; D338-N359 PolarHBondContact OD1-ND2 3.13Å; D356-N359 PolarHBondContact OD1-N 2.98Å; D356-N359 VanDerWaalsContact OD1-N 3.12Å
360	R	98.4	Very high	98.1	Very high	1 Å²	1	9.3 Å²	9.3	0%	0.004	5%	0.051	C	C	.	.			trans	-142.2	157.8	-176.1	-56.5	-68.8	179.3	-97.8	-0.1	111.8	M256 G299 D338 N351 C358 Y362	M256-R360 WeakPolarHBondContact CE-O 3.22Å; G299-R360 WeakPolarHBondContact CA-O 3.23Å; D338-R360 IonicContact OD1-CZ 2.78Å; D338-R360 IonicContact OD1-NH1 3.13Å; D338-R360 PolarHBondContact OD1-NH1 3.3Å; D338-R360 IonicContact OD1-NH2 2.68Å; D338-R360 IonicContact OD2-CZ 3.39Å; D338-R360 IonicContact OD2-NH1 2.99Å; D338-R360 PolarHBondContact OD2-NH1 3.02Å; D338-R360 IonicContact OD2-NH2 3.35Å; D338-R360 PolarHBondContact OD2-NH2 3.29Å; N351-R360 PolarHBondContact O-NH2 3.47Å; N351-R360 PolarHBondContact OD1-NH2 2.99Å; C358-R360 PolarHBondContact O-N 2.99Å; R360-Y362 HydrophobicContact CB-CD1 4.05Å; R360-Y362 HydrophobicContact CB-CD2 4.4Å; R360-Y362 HydrophobicContact CB-CE1 3.54Å; R360-Y362 HydrophobicContact CB-CE2 3.9Å; R360-Y362 HydrophobicContact CB-CG 4.46Å; R360-Y362 VanDerWaalsContact CB-CZ 3.45Å; R360-Y362 HydrophobicContact CG-CE1 3.71Å
361	W	98.8	Very high	98.1	Very high	1 Å²	1	7.3 Å²	7.3	0%	0.004	4%	0.042	C	C	.	.			trans	-132.8	87.3	167.6	-168.9	-90.1	0	0	0	109.5	M256 M261 L298 T302 W309 L325 V328 D363 K364	M256-W361 HydrophobicContact SD-CB 3.98Å; M261-W361 HydrophobicContact CE-CE3 3.57Å; M261-W361 HydrophobicContact CE-CZ3 3.72Å; L298-W361 HydrophobicContact CD2-CZ3 4.46Å; L298-W361 HydrophobicContact CG-CZ3 4.41Å; T302-W361 HydrophobicContact CG2-CD2 3.49Å; T302-W361 VanDerWaalsContact CG2-CD2 3.49Å; T302-W361 VanDerWaalsContact CG2-CE2 3.48Å; T302-W361 HydrophobicContact CG2-CE3 3.66Å; T302-W361 HydrophobicContact CG2-CG 4.06Å; T302-W361 HydrophobicContact CG2-CH2 3.86Å; T302-W361 HydrophobicContact CG2-CZ2 3.69Å; T302-W361 HydrophobicContact CG2-CZ3 3.83Å; W309-W361 AromaticContact CH2-CH2 3.97Å; W309-W361 HydrophobicContact CH2-CH2 3.97Å; W309-W361 AromaticContact CZ2-CH2 3.77Å; W309-W361 HydrophobicContact CZ2-CH2 3.77Å; W309-W361 AromaticContact CZ2-CZ2 3.91Å; W309-W361 HydrophobicContact CZ2-CZ2 3.91Å; L325-W361 HydrophobicContact CD2-CH2 4.17Å; L325-W361 HydrophobicContact CD2-CZ2 4.46Å; V328-W361 HydrophobicContact CG1-CD2 3.7Å; V328-W361 HydrophobicContact CG1-CE3 4.31Å; V328-W361 HydrophobicContact CG1-CG 4.1Å; V328-W361 HydrophobicContact CG1-CH2 4.3Å; V328-W361 HydrophobicContact CG1-CZ2 3.68Å; W361-D363 PolarHBondContact O-N 2.85Å; W361-D363 VanDerWaalsContact O-N 3.16Å; W361-K364 WeakPolarHBondContact O-CB 3.32Å; W361-K364 PolarHBondContact O-N 3.38Å
362	Y	98.8	Very high	98.1	Very high	3 Å²	3	12.4 Å²	12.4	1%	0.012	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-13.5	-165.6	-53.5	-75.5	0	0	0	114.8	V138 N142 T302 H354 G357 R360 K364 F444	V138-Y362 HydrophobicContact CG1-CE1 4.36Å; V138-Y362 HydrophobicContact CG2-CD1 3.7Å; V138-Y362 HydrophobicContact CG2-CD2 3.36Å; V138-Y362 HydrophobicContact CG2-CE1 3.86Å; V138-Y362 HydrophobicContact CG2-CE2 3.58Å; V138-Y362 HydrophobicContact CG2-CG 3.43Å; V138-Y362 VanDerWaalsContact CG2-CG 3.43Å; N142-Y362 PolarHBondContact ND2-O 3.2Å; T302-Y362 VanDerWaalsContact OG1-CD2 3.22Å; T302-Y362 WeakPolarHBondContact OG1-CD2 3.48Å; T302-Y362 PolarHBondContact OG1-N 3.21Å; H354-Y362 PolarHBondContact O-OH 3.15Å; G357-Y362 WeakPolarHBondContact CA-OH 3.15Å; R360-Y362 HydrophobicContact CB-CD1 4.05Å; R360-Y362 HydrophobicContact CB-CD2 4.4Å; R360-Y362 HydrophobicContact CB-CE1 3.54Å; R360-Y362 HydrophobicContact CB-CE2 3.9Å; R360-Y362 HydrophobicContact CB-CG 4.46Å; R360-Y362 VanDerWaalsContact CB-CZ 3.45Å; R360-Y362 HydrophobicContact CG-CE1 3.71Å; Y362-K364 VanDerWaalsContact C-N 3.29Å; Y362-F444 HydrophobicContact CE2-CE2 4.37Å; Y362-F444 WeakPolarHBondContact OH-CE2 3.3Å
363	D	98.9	Very high	98	Very high	2 Å²	2	15 Å²	15	1%	0.011	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-17.7	172	-74.3	-21.6	0	0	0	113.1	T234 R235 T302 R306 W309 W361	T234-D363 CarbonylContact C-O 3.55Å; T234-D363 WeakPolarHBondContact CA-O 3.24Å; T234-D363 PolarHBondContact OG1-O 3.07Å; R235-D363 PolarHBondContact N-O 3.44Å; R235-D363 WeakPolarHBondContact O-CB 3.42Å; T302-D363 HydrophobicContact CG2-CB 4.32Å; T302-D363 WeakPolarHBondContact CG2-OD2 3.41Å; R306-D363 IonicContact CZ-OD1 3.45Å; R306-D363 IonicContact NH1-OD1 3.38Å; R306-D363 PolarHBondContact NH1-OD1 2.76Å; R306-D363 IonicContact NH2-OD1 3.59Å; R306-D363 PolarHBondContact NH2-OD1 2.88Å; W309-D363 PolarHBondContact NE1-OD2 3.37Å; W361-D363 PolarHBondContact O-N 2.85Å; W361-D363 VanDerWaalsContact O-N 3.16Å
364	K	98.8	Very high	97.9	Very high	2 Å²	2	15 Å²	15	1%	0.009	8%	0.077	C	C	.	.	B	Isolated β-bridge	trans	-68.5	143.5	-176	-157	71.2	-172.5	178.1	0	110.4	S233 V328 D329 A331 C334 W361 Y362 F366 E381	S233-K364 WeakPolarHBondContact O-CD 3.37Å; S233-K364 WeakPolarHBondContact O-CE 3.34Å; V328-K364 PolarHBondContact O-NZ 3.38Å; D329-K364 PolarHBondContact O-NZ 2.79Å; A331-K364 WeakPolarHBondContact O-CE 3.47Å; A331-K364 PolarHBondContact O-NZ 2.97Å; C334-K364 HydrophobicContact CB-CB 4.4Å; C334-K364 HydrophobicContact CB-CG 4.12Å; W361-K364 WeakPolarHBondContact O-CB 3.32Å; W361-K364 PolarHBondContact O-N 3.38Å; Y362-K364 VanDerWaalsContact C-N 3.29Å; K364-F366 WeakPolarHBondContact CG-O 3.34Å; K364-F366 PolarHBondContact O-N 2.61Å; K364-F366 VanDerWaalsContact O-N 3.11Å; K364-E381 WeakPolarHBondContact O-CB 3.45Å
365	S	98.8	Very high	97.9	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.007	9%	0.086	C	C	.	.	S	Bend	trans	-43.3	-49	174.7	49.3	0	0	0	0	112.4	R229 L230 S233 F380 E381 W384	R229-S365 WeakPolarHBondContact O-CB 3.46Å; L230-S365 WeakPolarHBondContact O-CB 3.27Å; L230-S365 PolarHBondContact O-OG 2.9Å; S233-S365 PolarHBondContact O-N 2.86Å; S233-S365 PolarHBondContact O-OG 3.16Å; S365-F380 WeakPolarHBondContact O-CB 3.45Å; S365-E381 PolarHBondContact O-N 3Å; S365-W384 PolarHBondContact O-NE1 3.18Å
366	F	98.9	Very high	97.9	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	160.4	160.2	67.1	-88.9	0	0	0	112.6	L230 F231 F333 C334 K364 I368 I378 N379 F380 F393	L230-F366 HydrophobicContact CB-CE1 4.13Å; L230-F366 HydrophobicContact CD2-CD1 4.08Å; L230-F366 HydrophobicContact CD2-CE1 4.06Å; L230-F366 WeakPolarHBondContact O-CD1 3.46Å; L230-F366 WeakPolarHBondContact O-CE1 3.25Å; F231-F366 HydrophobicContact CD1-CZ 4.49Å; F231-F366 HydrophobicContact CE1-CE1 4.3Å; F231-F366 HydrophobicContact CE1-CZ 4.01Å; F231-F366 HydrophobicContact CZ-CZ 4.5Å; F333-F366 HydrophobicContact CB-CD2 4.11Å; F333-F366 HydrophobicContact CB-CE1 4.07Å; F333-F366 HydrophobicContact CB-CE2 3.58Å; F333-F366 HydrophobicContact CB-CZ 3.55Å; F333-F366 HydrophobicContact CD1-CE2 4.35Å; F333-F366 HydrophobicContact CD1-CZ 4.08Å; F333-F366 AromaticContact CD2-CE2 3.85Å; F333-F366 HydrophobicContact CD2-CE2 3.85Å; F333-F366 HydrophobicContact CD2-CZ 4.39Å; F333-F366 AromaticContact CG-CE2 3.67Å; F333-F366 HydrophobicContact CG-CE2 3.67Å; F333-F366 AromaticContact CG-CZ 3.77Å; F333-F366 HydrophobicContact CG-CZ 3.77Å; C334-F366 PolarHBondContact N-O 3.23Å; K364-F366 WeakPolarHBondContact CG-O 3.34Å; K364-F366 PolarHBondContact O-N 2.61Å; K364-F366 VanDerWaalsContact O-N 3.11Å; F366-I368 HydrophobicContact CD2-CG1 4.04Å; F366-I368 HydrophobicContact CE2-CD1 4.18Å; F366-I368 HydrophobicContact CE2-CG1 3.73Å; F366-I378 HydrophobicContact CB-CG2 3.71Å; F366-I378 HydrophobicContact CD2-CG2 4.1Å; F366-I378 HydrophobicContact CG-CG2 4.18Å; F366-N379 CarbonylContact C-O 3.56Å; F366-N379 WeakPolarHBondContact CA-O 3.44Å; F366-F380 HydrophobicContact CB-CB 3.86Å; F366-F393 HydrophobicContact CD2-CE1 4.23Å; F366-F393 HydrophobicContact CE1-CE1 4.41Å; F366-F393 HydrophobicContact CE1-CZ 4.33Å; F366-F393 AromaticContact CE2-CE1 3.58Å; F366-F393 HydrophobicContact CE2-CE1 3.58Å; F366-F393 HydrophobicContact CE2-CE2 4.48Å; F366-F393 AromaticContact CE2-CZ 3.54Å; F366-F393 HydrophobicContact CE2-CZ 3.54Å; F366-F393 HydrophobicContact CZ-CD1 4.42Å; F366-F393 AromaticContact CZ-CE1 3.69Å; F366-F393 HydrophobicContact CZ-CE1 3.69Å; F366-F393 AromaticContact CZ-CE2 3.89Å; F366-F393 HydrophobicContact CZ-CE2 3.89Å; F366-F393 AromaticContact CZ-CZ 3.38Å; F366-F393 HydrophobicContact CZ-CZ 3.38Å
367	S	98.8	Very high	98	Very high	2 Å²	2	12.5 Å²	12.5	1%	0.014	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	128.3	165.4	-61.1	0	0	0	0	109.7	C334 I378 N379	C334-S367 CarbonylContact O-C 3.49Å; C334-S367 WeakPolarHBondContact O-CA 3.26Å; S367-I378 WeakPolarHBondContact O-CA 3.17Å; S367-N379 PolarHBondContact N-O 3.48Å; S367-N379 PolarHBondContact O-N 2.98Å
368	I	98.9	Very high	98.2	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	121.7	161.4	-51.4	-176	0	0	0	106.7	M165 A169 F333 C334 L335 C336 F366 I370 A377 F393	M165-I368 HydrophobicContact SD-CG2 4.18Å; A169-I368 HydrophobicContact CB-CD1 4.32Å; F333-I368 HydrophobicContact CD2-CD1 4.11Å; F333-I368 HydrophobicContact CD2-CG1 4.04Å; F333-I368 HydrophobicContact CE2-CD1 3.62Å; F333-I368 HydrophobicContact CE2-CG1 3.98Å; F333-I368 HydrophobicContact CZ-CD1 4.17Å; C334-I368 PolarHBondContact O-N 3Å; L335-I368 CarbonylContact C-O 3.43Å; L335-I368 WeakPolarHBondContact CA-O 3.4Å; L335-I368 HydrophobicContact CD1-CB 4.29Å; L335-I368 HydrophobicContact CD1-CG2 4.42Å; C336-I368 PolarHBondContact N-O 3.22Å; F366-I368 HydrophobicContact CD2-CG1 4.04Å; F366-I368 HydrophobicContact CE2-CD1 4.18Å; F366-I368 HydrophobicContact CE2-CG1 3.73Å; I368-I370 HydrophobicContact CG2-CD1 4.12Å; I368-I370 HydrophobicContact CG2-CG1 3.97Å; I368-A377 CarbonylContact C-O 3.57Å; I368-A377 WeakPolarHBondContact CA-O 3.3Å; I368-F393 HydrophobicContact CD1-CZ 4.24Å
369	I	98.9	Very high	98.4	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	134.6	175.2	-56.6	163.4	0	0	0	107.6	C336 D338 M352 A376 A377 N379	C336-I369 HydrophobicContact CB-CB 4.42Å; C336-I369 HydrophobicContact CB-CG1 4.08Å; C336-I369 HydrophobicContact CB-CG2 4.38Å; D338-I369 WeakPolarHBondContact OD2-CG2 3.34Å; M352-I369 HydrophobicContact CE-CG2 4.29Å; M352-I369 HydrophobicContact SD-CB 3.77Å; M352-I369 HydrophobicContact SD-CD1 4.14Å; M352-I369 HydrophobicContact SD-CG2 3.49Å; M352-I369 WeakPolarHBondContact SD-CG2 3.45Å; I369-A376 CarbonylContact O-C 3.12Å; I369-A376 WeakPolarHBondContact O-CA 3.41Å; I369-A377 PolarHBondContact N-O 3.02Å; I369-A377 PolarHBondContact O-N 3.22Å; I369-N379 HydrophobicContact CD1-CB 3.78Å
370	I	98.8	Very high	98.4	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	112.5	176.3	-52.1	179.9	0	0	0	109.2	Q158 S162 M165 L335 C336 D338 I368 Q375 A376	Q158-I370 HydrophobicContact CG-CG2 4.1Å; Q158-I370 PolarHBondContact NE2-O 2.85Å; S162-I370 VanDerWaalsContact CA-CD1 3.44Å; M165-I370 HydrophobicContact CB-CD1 4.3Å; M165-I370 HydrophobicContact CG-CD1 4.5Å; M165-I370 HydrophobicContact SD-CD1 3.66Å; M165-I370 HydrophobicContact SD-CG1 4.24Å; L335-I370 HydrophobicContact CD1-CD1 3.91Å; L335-I370 HydrophobicContact CD1-CG1 4.23Å; C336-I370 PolarHBondContact O-N 2.9Å; D338-I370 PolarHBondContact N-O 3.13Å; D338-I370 VanDerWaalsContact N-O 3.1Å; I368-I370 HydrophobicContact CG2-CD1 4.12Å; I368-I370 HydrophobicContact CG2-CG1 3.97Å; I370-Q375 WeakPolarHBondContact CA-O 3.38Å; I370-A376 HydrophobicContact CG1-CB 4.13Å
371	A	98.4	Very high	98.4	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.056	C	C	.	.			trans	-72.4	170	176.1	0	0	0	0	0	112.5	Q158 E340 M342 M352 D373 G374 Q375	Q158-A371 WeakPolarHBondContact CG-O 3.49Å; Q158-A371 PolarHBondContact NE2-O 2.98Å; E340-A371 WeakPolarHBondContact O-CB 3.05Å; M342-A371 HydrophobicContact CE-CB 4.03Å; M342-A371 HydrophobicContact CG-CB 3.93Å; M342-A371 HydrophobicContact SD-CB 4.39Å; M352-A371 HydrophobicContact CE-CB 4.47Å; A371-D373 VanDerWaalsContact C-N 3.3Å; A371-D373 WeakPolarHBondContact CB-OD1 3.37Å; A371-D373 PolarHBondContact O-N 3.44Å; A371-G374 WeakPolarHBondContact O-CA 3.46Å; A371-G374 PolarHBondContact O-N 2.88Å; A371-Q375 HydrophobicContact CB-CB 4.24Å; A371-Q375 WeakPolarHBondContact CB-O 3.36Å; A371-Q375 PolarHBondContact N-O 3.09Å
372	K	97.6	Very high	98.3	Very high	124 Å²	124	14.2 Å²	14.2	54%	0.539	7%	0.066	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-27.5	-174.1	179.4	174.5	171.9	-177.2	0	113.9	D338 E339 E340 G374	D338-K372 PolarHBondContact O-N 2.7Å; E339-K372 WeakPolarHBondContact O-CD 3.32Å; E340-K372 WeakPolarHBondContact O-CB 3.35Å; E340-K372 PolarHBondContact O-N 3.1Å; K372-G374 PolarHBondContact O-N 2.9Å
373	D	96	Very high	98.3	Very high	55 Å²	55	14 Å²	14	29%	0.294	7%	0.066	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	5.1	169.3	60.6	-0.5	0	0	0	113.2	M342 A371 Q375	M342-D373 WeakPolarHBondContact CA-OD2 3.22Å; M342-D373 WeakPolarHBondContact CB-OD2 3.18Å; M342-D373 PolarHBondContact N-OD2 3.43Å; A371-D373 VanDerWaalsContact C-N 3.3Å; A371-D373 WeakPolarHBondContact CB-OD1 3.37Å; A371-D373 PolarHBondContact O-N 3.44Å; D373-Q375 VanDerWaalsContact C-N 3.3Å; D373-Q375 PolarHBondContact O-N 3.07Å; D373-Q375 WeakPolarHBondContact OD1-CB 3.37Å; D373-Q375 PolarHBondContact OD1-N 2.65Å; D373-Q375 WeakPolarHBondContact OD2-CG 3.4Å
374	G	97.1	Very high	98.2	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.067	C	C	.	.			trans	78.8	1.2	-175.7	0	0	0	0	0	115	N156 R161 A371 K372 A376	N156-G374 WeakPolarHBondContact O-CA 3.49Å; R161-G374 WeakPolarHBondContact CD-O 3.34Å; R161-G374 PolarHBondContact NH1-O 3.19Å; A371-G374 WeakPolarHBondContact O-CA 3.46Å; A371-G374 PolarHBondContact O-N 2.88Å; K372-G374 PolarHBondContact O-N 2.9Å; G374-A376 PolarHBondContact O-N 3.28Å
375	Q	97.8	Very high	97.9	Very high	45 Å²	45	14.3 Å²	14.3	21%	0.21	7%	0.067	C	C	.	.			trans	-62.3	127.8	178.3	-74.1	-75.1	36.8	0	0	110.5	M342 M352 I370 A371 D373	M342-Q375 HydrophobicContact CB-CB 4.38Å; M342-Q375 HydrophobicContact CB-CG 4.19Å; M342-Q375 HydrophobicContact CG-CB 3.72Å; M342-Q375 HydrophobicContact CG-CG 4.09Å; M352-Q375 HydrophobicContact CE-CB 4.47Å; M352-Q375 WeakPolarHBondContact CE-O 3.43Å; I370-Q375 WeakPolarHBondContact CA-O 3.38Å; A371-Q375 HydrophobicContact CB-CB 4.24Å; A371-Q375 WeakPolarHBondContact CB-O 3.36Å; A371-Q375 PolarHBondContact N-O 3.09Å; D373-Q375 VanDerWaalsContact C-N 3.3Å; D373-Q375 PolarHBondContact O-N 3.07Å; D373-Q375 WeakPolarHBondContact OD1-CB 3.37Å; D373-Q375 PolarHBondContact OD1-N 2.65Å; D373-Q375 WeakPolarHBondContact OD2-CG 3.4Å
376	A	98.3	Very high	97.5	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.008	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	144.3	-163.6	0	0	0	0	0	112.5	F147 M165 I369 I370 G374	F147-A376 HydrophobicContact CB-CB 4.44Å; F147-A376 HydrophobicContact CD2-CB 3.96Å; F147-A376 PolarHBondContact N-O 2.87Å; M165-A376 HydrophobicContact CE-CB 3.73Å; M165-A376 HydrophobicContact SD-CB 3.86Å; I369-A376 CarbonylContact O-C 3.12Å; I369-A376 WeakPolarHBondContact O-CA 3.41Å; I370-A376 HydrophobicContact CG1-CB 4.13Å; G374-A376 PolarHBondContact O-N 3.28Å
377	A	98.4	Very high	97	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	167	176.7	0	0	0	0	0	112.8	M145 M352 I368 I369	M145-A377 CarbonylContact O-C 3.51Å; M145-A377 WeakPolarHBondContact O-CA 3.41Å; M352-A377 HydrophobicContact CB-CB 3.75Å; M352-A377 HydrophobicContact CE-CB 4.43Å; M352-A377 HydrophobicContact CG-CB 3.52Å; M352-A377 HydrophobicContact SD-CB 3.56Å; M352-A377 VanDerWaalsContact SD-CB 3.56Å; I368-A377 CarbonylContact C-O 3.57Å; I368-A377 WeakPolarHBondContact CA-O 3.3Å; I369-A377 PolarHBondContact N-O 3.02Å; I369-A377 PolarHBondContact O-N 3.22Å
378	I	98.6	Very high	96.8	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	121.5	165.3	-51.3	176.9	0	0	0	108.2	F144 M145 F147 F366 S367 F380 V390 F393 Q394	F144-I378 CarbonylContact C-O 3.55Å; F144-I378 WeakPolarHBondContact CA-O 3.32Å; M145-I378 PolarHBondContact N-O 3.47Å; M145-I378 PolarHBondContact O-N 3.38Å; F147-I378 HydrophobicContact CE2-CD1 4.21Å; F147-I378 HydrophobicContact CE2-CG1 3.69Å; F147-I378 HydrophobicContact CZ-CD1 4.01Å; F147-I378 HydrophobicContact CZ-CG1 4Å; F366-I378 HydrophobicContact CB-CG2 3.71Å; F366-I378 HydrophobicContact CD2-CG2 4.1Å; F366-I378 HydrophobicContact CG-CG2 4.18Å; S367-I378 WeakPolarHBondContact O-CA 3.17Å; I378-F380 HydrophobicContact CG2-CB 4.43Å; I378-F380 HydrophobicContact CG2-CD1 4.37Å; I378-V390 HydrophobicContact CB-CG1 4.47Å; I378-V390 HydrophobicContact CD1-CG1 4.03Å; I378-V390 HydrophobicContact CG2-CG1 3.81Å; I378-F393 HydrophobicContact CD1-CD1 3.65Å; I378-F393 HydrophobicContact CD1-CE1 3.75Å; I378-Q394 HydrophobicContact CD1-CB 3.74Å; I378-Q394 HydrophobicContact CD1-CG 3.85Å
379	N	98.6	Very high	96.7	Very high	3 Å²	3	18 Å²	18	2%	0.016	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	134.2	162.4	-174.4	-78	0	0	0	107.5	M352 L353 F366 S367 I369	M352-N379 PolarHBondContact O-ND2 3.09Å; L353-N379 PolarHBondContact O-ND2 3.05Å; F366-N379 CarbonylContact C-O 3.56Å; F366-N379 WeakPolarHBondContact CA-O 3.44Å; S367-N379 PolarHBondContact N-O 3.48Å; S367-N379 PolarHBondContact O-N 2.98Å; I369-N379 HydrophobicContact CD1-CB 3.78Å
380	F	98.6	Very high	96.6	Very high	12 Å²	12	18 Å²	18	5%	0.053	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	146.3	-173.9	64.9	-93	0	0	0	114.5	N142 P143 M145 S365 F366 I378 V390	N142-F380 WeakPolarHBondContact CA-O 3.42Å; N142-F380 WeakPolarHBondContact CB-O 3.42Å; N142-F380 VanDerWaalsContact CG-O 3.24Å; P143-F380 WeakPolarHBondContact CD-O 3.33Å; P143-F380 HydrophobicContact CG-CD1 4.16Å; P143-F380 HydrophobicContact CG-CD2 4.25Å; P143-F380 HydrophobicContact CG-CE1 3.6Å; P143-F380 HydrophobicContact CG-CE2 3.69Å; P143-F380 HydrophobicContact CG-CG 4.48Å; P143-F380 HydrophobicContact CG-CZ 3.35Å; P143-F380 PolarHBondContact O-N 3.47Å; M145-F380 HydrophobicContact CE-CE1 3.91Å; M145-F380 HydrophobicContact CG-CE1 4.24Å; M145-F380 HydrophobicContact SD-CE1 4.39Å; S365-F380 WeakPolarHBondContact O-CB 3.45Å; F366-F380 HydrophobicContact CB-CB 3.86Å; I378-F380 HydrophobicContact CG2-CB 4.43Å; I378-F380 HydrophobicContact CG2-CD1 4.37Å; F380-V390 HydrophobicContact CD1-CB 4.42Å; F380-V390 HydrophobicContact CD1-CG1 3.83Å; F380-V390 HydrophobicContact CD1-CG2 4.33Å; F380-V390 HydrophobicContact CD2-CG2 4.07Å; F380-V390 HydrophobicContact CE1-CB 4.38Å; F380-V390 HydrophobicContact CE1-CG1 4.1Å; F380-V390 HydrophobicContact CE1-CG2 4.49Å; F380-V390 HydrophobicContact CE2-CG2 4.25Å; F380-V390 HydrophobicContact CG-CG1 4.28Å; F380-V390 HydrophobicContact CG-CG2 4.09Å; F380-V390 HydrophobicContact CZ-CG2 4.45Å
381	E	98.6	Very high	96.5	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	10%	0.103	C	C	.	.			trans	-71.9	128.2	174.7	-161.6	-71.4	134.3	0	0	109.6	N142 R235 K364 S365 S383 W384	N142-E381 WeakPolarHBondContact OD1-CA 3.42Å; R235-E381 HydrophobicContact CB-CG 4.03Å; R235-E381 VanDerWaalsContact CD-CD 3.41Å; R235-E381 WeakPolarHBondContact CD-OE1 3.24Å; R235-E381 IonicContact CZ-OE1 2.7Å; R235-E381 IonicContact NE-OE1 3.95Å; R235-E381 IonicContact NH1-OE1 3.21Å; R235-E381 PolarHBondContact NH1-OE1 3.08Å; K364-E381 WeakPolarHBondContact O-CB 3.45Å; S365-E381 PolarHBondContact O-N 3Å; E381-S383 WeakPolarHBondContact OE1-CB 3.49Å; E381-S383 PolarHBondContact OE1-N 3.35Å; E381-S383 PolarHBondContact OE1-OG 2.9Å; E381-S383 WeakPolarHBondContact OE2-CB 3.2Å; E381-S383 PolarHBondContact OE2-N 2.92Å; E381-S383 PolarHBondContact OE2-OG 3.11Å; E381-W384 PolarHBondContact O-NE1 3.29Å; E381-W384 PolarHBondContact OE2-N 2.73Å
382	H	97.7	Very high	96.4	Very high	47 Å²	47	21.1 Å²	21.1	22%	0.218	11%	0.107	C	C	.	.	S	Bend	trans	-84.4	-24.4	-169.3	-158.7	-27.7	0	0	0	113.9	F141 N142 W384 G385	F141-H382 HydrophobicContact CB-CB 4.29Å; F141-H382 WeakPolarHBondContact O-CB 3.27Å; F141-H382 PolarHBondContact O-CD2 3.49Å; N142-H382 PolarHBondContact OD1-N 2.8Å; H382-W384 VanDerWaalsContact C-N 3.3Å; H382-W384 PolarHBondContact O-N 2.94Å; H382-G385 PolarHBondContact ND1-O 2.96Å; H382-G385 PolarHBondContact O-N 3.08Å
383	S	97.8	Very high	96.5	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-29.4	-172.4	77.1	0	0	0	0	114.3	F127 L131 E381 G385	F127-S383 WeakPolarHBondContact CD1-O 3.39Å; F127-S383 VanDerWaalsContact CE1-O 3.22Å; F127-S383 WeakPolarHBondContact CE1-O 3.44Å; L131-S383 WeakPolarHBondContact CD2-OG 3.36Å; E381-S383 WeakPolarHBondContact OE1-CB 3.49Å; E381-S383 PolarHBondContact OE1-N 3.35Å; E381-S383 PolarHBondContact OE1-OG 2.9Å; E381-S383 WeakPolarHBondContact OE2-CB 3.2Å; E381-S383 PolarHBondContact OE2-N 2.92Å; E381-S383 PolarHBondContact OE2-OG 3.11Å; S383-G385 PolarHBondContact O-N 2.98Å
384	W	97.8	Very high	96.6	Very high	8 Å²	8	12.6 Å²	12.6	3%	0.03	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-16.4	-175.5	71.3	-97.9	0	0	0	115.4	F127 Q226 R229 L230 L244 S365 E381 H382 A389 V390	F127-W384 WeakPolarHBondContact CE1-O 3.13Å; Q226-W384 HydrophobicContact CB-CZ3 4.45Å; R229-W384 HydrophobicContact CB-CB 4.39Å; R229-W384 HydrophobicContact CB-CD2 4.06Å; R229-W384 HydrophobicContact CB-CE3 3.64Å; R229-W384 HydrophobicContact CB-CG 4.38Å; R229-W384 HydrophobicContact CB-CZ3 4.32Å; L230-W384 HydrophobicContact CD2-CH2 3.61Å; L230-W384 HydrophobicContact CD2-CZ2 4.1Å; L230-W384 HydrophobicContact CG-CH2 3.98Å; L244-W384 HydrophobicContact CD1-CB 3.88Å; L244-W384 HydrophobicContact CD2-CB 3.96Å; S365-W384 PolarHBondContact O-NE1 3.18Å; E381-W384 PolarHBondContact O-NE1 3.29Å; E381-W384 PolarHBondContact OE2-N 2.73Å; H382-W384 VanDerWaalsContact C-N 3.3Å; H382-W384 PolarHBondContact O-N 2.94Å; W384-A389 HydrophobicContact CH2-CB 4.16Å; W384-A389 HydrophobicContact CZ3-CB 4.17Å; W384-V390 HydrophobicContact CH2-CG2 3.62Å; W384-V390 HydrophobicContact CZ2-CG2 3.56Å
385	G	91.3	Very high	96.6	Very high	2 Å²	2	15.1 Å²	15.1	2%	0.021	8%	0.081	C	C	.	.			trans	-174.1	178.1	-177.5	0	0	0	0	0	116	H382 S383	H382-G385 PolarHBondContact ND1-O 2.96Å; H382-G385 PolarHBondContact O-N 3.08Å; S383-G385 PolarHBondContact O-N 2.98Å
386	D	90.2	Very high	96.6	Very high	23 Å²	23	14.1 Å²	14.1	12%	0.123	8%	0.076	C	C	.	.			trans	-100.8	28.7	-171.5	-52.5	-63.7	0	0	0	113.8	Q226 V388 R508 T509	Q226-D386 PolarHBondContact NE2-OD2 3.43Å; D386-V388 PolarHBondContact O-N 3.36Å; D386-R508 VanDerWaalsContact CG-NE 3.26Å; D386-R508 IonicContact OD1-CZ 2.67Å; D386-R508 VanDerWaalsContact OD1-CZ 3.31Å; D386-R508 IonicContact OD1-NE 2.79Å; D386-R508 PolarHBondContact OD1-NE 2.95Å; D386-R508 IonicContact OD1-NH2 2.64Å; D386-R508 PolarHBondContact OD1-NH2 3.29Å; D386-R508 VanDerWaalsContact OD2-CA 3.3Å; D386-R508 WeakPolarHBondContact OD2-CA 3.49Å; D386-R508 WeakPolarHBondContact OD2-CD 3.4Å; D386-R508 IonicContact OD2-CZ 3.58Å; D386-R508 IonicContact OD2-NE 2.95Å; D386-R508 PolarHBondContact OD2-NE 3.09Å; D386-R508 IonicContact OD2-NH2 3.77Å; D386-T509 HydrophobicContact CB-CG2 4.03Å
387	G	89.9	Confident	96.6	Very high	17 Å²	17	14.1 Å²	14.1	18%	0.175	8%	0.076	C	C	.	.	S	Bend	trans	72	-24.5	178.2	0	0	0	0	0	116.2	A389 V390 L391	G387-A389 VanDerWaalsContact C-N 3.32Å; G387-A389 PolarHBondContact O-N 3.26Å; G387-V390 CarbonylContact O-C 3.54Å; G387-V390 WeakPolarHBondContact O-CA 2.93Å; G387-V390 WeakPolarHBondContact O-CB 3.35Å; G387-V390 PolarHBondContact O-N 3.1Å; G387-L391 PolarHBondContact O-N 3.31Å
388	V	93.9	Very high	96.6	Very high	39 Å²	39	15.4 Å²	15.4	24%	0.236	8%	0.082	C	C	.	.	H	α-helix	trans	-52.9	-46.3	-178.9	-179	0	0	0	0	112.1	D386 V390 L391 R392	D386-V388 PolarHBondContact O-N 3.36Å; V388-V390 VanDerWaalsContact C-N 3.29Å; V388-V390 PolarHBondContact O-N 3.22Å; V388-L391 PolarHBondContact O-N 3.33Å; V388-R392 PolarHBondContact O-N 2.98Å
389	A	96.4	Very high	96.5	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.008	10%	0.103	C	C	.	.	H	α-helix	trans	-63.5	-33.8	176.8	0	0	0	0	0	112.8	Y227 L230 W384 G387 F393	Y227-A389 HydrophobicContact CD1-CB 4.27Å; Y227-A389 HydrophobicContact CD2-CB 3.62Å; Y227-A389 HydrophobicContact CE1-CB 4.35Å; Y227-A389 HydrophobicContact CE2-CB 3.7Å; Y227-A389 HydrophobicContact CG-CB 3.92Å; L230-A389 HydrophobicContact CD1-CB 4.26Å; L230-A389 HydrophobicContact CG-CB 4.34Å; W384-A389 HydrophobicContact CH2-CB 4.16Å; W384-A389 HydrophobicContact CZ3-CB 4.17Å; G387-A389 VanDerWaalsContact C-N 3.32Å; G387-A389 PolarHBondContact O-N 3.26Å; A389-F393 WeakPolarHBondContact O-CB 3.48Å; A389-F393 PolarHBondContact O-N 3.17Å
390	V	97.3	Very high	96.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-73.5	-40.8	178.1	-166.5	0	0	0	0	110.6	M145 L230 I378 F380 W384 G387 V388 F393 Q394	M145-V390 HydrophobicContact CE-CB 3.88Å; M145-V390 HydrophobicContact CE-CG1 3.55Å; L230-V390 HydrophobicContact CD2-CG2 4.27Å; I378-V390 HydrophobicContact CB-CG1 4.47Å; I378-V390 HydrophobicContact CD1-CG1 4.03Å; I378-V390 HydrophobicContact CG2-CG1 3.81Å; F380-V390 HydrophobicContact CD1-CB 4.42Å; F380-V390 HydrophobicContact CD1-CG1 3.83Å; F380-V390 HydrophobicContact CD1-CG2 4.33Å; F380-V390 HydrophobicContact CD2-CG2 4.07Å; F380-V390 HydrophobicContact CE1-CB 4.38Å; F380-V390 HydrophobicContact CE1-CG1 4.1Å; F380-V390 HydrophobicContact CE1-CG2 4.49Å; F380-V390 HydrophobicContact CE2-CG2 4.25Å; F380-V390 HydrophobicContact CG-CG1 4.28Å; F380-V390 HydrophobicContact CG-CG2 4.09Å; F380-V390 HydrophobicContact CZ-CG2 4.45Å; W384-V390 HydrophobicContact CH2-CG2 3.62Å; W384-V390 HydrophobicContact CZ2-CG2 3.56Å; G387-V390 CarbonylContact O-C 3.54Å; G387-V390 WeakPolarHBondContact O-CA 2.93Å; G387-V390 WeakPolarHBondContact O-CB 3.35Å; G387-V390 PolarHBondContact O-N 3.1Å; V388-V390 VanDerWaalsContact C-N 3.29Å; V388-V390 PolarHBondContact O-N 3.22Å; V390-F393 WeakPolarHBondContact O-CB 3.3Å; V390-F393 PolarHBondContact O-N 3.4Å; V390-Q394 WeakPolarHBondContact O-CB 3.46Å; V390-Q394 PolarHBondContact O-N 2.8Å
391	L	96.1	Very high	96.4	Very high	44 Å²	44	20.4 Å²	20.4	23%	0.23	10%	0.104	C	C	.	.	H	α-helix	trans	-64.8	-42.6	175.4	-177.7	61.1	0	0	0	111.3	M145 G387 V388 Q394 N395 V607	M145-L391 HydrophobicContact CE-CB 4.49Å; G387-L391 PolarHBondContact O-N 3.31Å; V388-L391 PolarHBondContact O-N 3.33Å; L391-Q394 PolarHBondContact O-N 2.86Å; L391-N395 WeakPolarHBondContact O-CB 3.47Å; L391-N395 PolarHBondContact O-N 3.3Å; L391-N395 PolarHBondContact O-ND2 2.95Å; L391-N395 PolarHBondContact O-OD1 2.83Å; L391-V607 HydrophobicContact CD1-CG2 4.08Å
392	R	97.3	Very high	96.3	Very high	21 Å²	21	21.3 Å²	21.3	8%	0.079	11%	0.11	C	C	.	.	H	α-helix	trans	-59.8	-47	172.7	179.5	65	-178.6	-78.1	2.3	111.5	F172 E182 E184 Y227 V388 N395 E396	F172-R392 HydrophobicContact CE2-CG 4.31Å; F172-R392 HydrophobicContact CZ-CG 4.36Å; E182-R392 PolarHBondContact O-NH1 3.21Å; E182-R392 PolarHBondContact O-NH2 3.08Å; E184-R392 IonicContact OE1-NH1 3.68Å; E184-R392 WeakPolarHBondContact OE2-CB 3.25Å; E184-R392 VanDerWaalsContact OE2-CD 3.26Å; E184-R392 WeakPolarHBondContact OE2-CD 3.49Å; E184-R392 WeakPolarHBondContact OE2-CG 3.41Å; E184-R392 IonicContact OE2-CZ 2.72Å; E184-R392 IonicContact OE2-NE 3.83Å; E184-R392 IonicContact OE2-NH1 2.99Å; E184-R392 PolarHBondContact OE2-NH1 3.33Å; Y227-R392 HydrophobicContact CE1-CB 4.23Å; Y227-R392 HydrophobicContact CE1-CG 4.15Å; V388-R392 PolarHBondContact O-N 2.98Å; R392-N395 PolarHBondContact O-N 2.75Å; R392-E396 HydrophobicContact CG-CG 4.37Å; R392-E396 IonicContact CZ-OE1 3.25Å; R392-E396 IonicContact NE-OE1 2.88Å; R392-E396 PolarHBondContact NE-OE1 3.48Å; R392-E396 IonicContact NH2-OE1 2.68Å; R392-E396 PolarHBondContact NH2-OE1 3.05Å; R392-E396 WeakPolarHBondContact O-CB 3.17Å; R392-E396 WeakPolarHBondContact O-CG 3.27Å; R392-E396 PolarHBondContact O-N 3.26Å; R392-E396 VanDerWaalsContact O-N 3.1Å
393	F	98.5	Very high	96.2	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-57.9	-47.1	175.5	168.4	-96.8	0	0	0	112	A169 F172 L230 F231 F366 I368 I378 A389 V390 N395 E396 V397	A169-F393 HydrophobicContact CB-CE2 3.77Å; A169-F393 HydrophobicContact CB-CZ 3.73Å; F172-F393 HydrophobicContact CB-CD2 4.18Å; F172-F393 HydrophobicContact CB-CE2 4.34Å; F172-F393 AromaticContact CD1-CD2 3.79Å; F172-F393 HydrophobicContact CD1-CD2 3.79Å; F172-F393 HydrophobicContact CD2-CD2 4.14Å; F172-F393 HydrophobicContact CE1-CB 4.35Å; F172-F393 HydrophobicContact CE1-CD2 4.17Å; F172-F393 HydrophobicContact CE2-CB 4.21Å; F172-F393 AromaticContact CG-CD2 3.77Å; F172-F393 HydrophobicContact CG-CD2 3.77Å; F172-F393 HydrophobicContact CG-CE2 4.41Å; F172-F393 HydrophobicContact CZ-CB 4.06Å; L230-F393 HydrophobicContact CD1-CB 4.18Å; L230-F393 HydrophobicContact CD2-CB 4.28Å; F231-F393 HydrophobicContact CE1-CE2 4.07Å; F231-F393 AromaticContact CZ-CD2 3.86Å; F231-F393 HydrophobicContact CZ-CD2 3.86Å; F231-F393 AromaticContact CZ-CE2 3.65Å; F231-F393 HydrophobicContact CZ-CE2 3.65Å; F366-F393 HydrophobicContact CD2-CE1 4.23Å; F366-F393 HydrophobicContact CE1-CE1 4.41Å; F366-F393 HydrophobicContact CE1-CZ 4.33Å; F366-F393 AromaticContact CE2-CE1 3.58Å; F366-F393 HydrophobicContact CE2-CE1 3.58Å; F366-F393 HydrophobicContact CE2-CE2 4.48Å; F366-F393 AromaticContact CE2-CZ 3.54Å; F366-F393 HydrophobicContact CE2-CZ 3.54Å; F366-F393 HydrophobicContact CZ-CD1 4.42Å; F366-F393 AromaticContact CZ-CE1 3.69Å; F366-F393 HydrophobicContact CZ-CE1 3.69Å; F366-F393 AromaticContact CZ-CE2 3.89Å; F366-F393 HydrophobicContact CZ-CE2 3.89Å; F366-F393 AromaticContact CZ-CZ 3.38Å; F366-F393 HydrophobicContact CZ-CZ 3.38Å; I368-F393 HydrophobicContact CD1-CZ 4.24Å; I378-F393 HydrophobicContact CD1-CD1 3.65Å; I378-F393 HydrophobicContact CD1-CE1 3.75Å; A389-F393 WeakPolarHBondContact O-CB 3.48Å; A389-F393 PolarHBondContact O-N 3.17Å; V390-F393 WeakPolarHBondContact O-CB 3.3Å; V390-F393 PolarHBondContact O-N 3.4Å; F393-N395 PolarHBondContact O-N 2.76Å; F393-E396 PolarHBondContact O-N 3.35Å; F393-V397 HydrophobicContact CD2-CG2 3.91Å; F393-V397 HydrophobicContact CE1-CG2 4.36Å; F393-V397 HydrophobicContact CE2-CG2 3.6Å; F393-V397 HydrophobicContact CG-CG2 4.42Å; F393-V397 HydrophobicContact CZ-CG2 3.85Å; F393-V397 WeakPolarHBondContact O-CB 3.36Å; F393-V397 VanDerWaalsContact O-CG2 3.31Å; F393-V397 WeakPolarHBondContact O-CG2 3.28Å; F393-V397 PolarHBondContact O-N 2.88Å
394	Q	97.8	Very high	96.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-60.8	-45.6	178.9	-164.1	-178.2	-3.6	0	0	112	M145 S146 F147 I378 V390 L391 F398	M145-Q394 VanDerWaalsContact CB-OE1 3.26Å; S146-Q394 PolarHBondContact O-NE2 2.72Å; S146-Q394 VanDerWaalsContact O-NE2 3.11Å; F147-Q394 HydrophobicContact CD1-CG 3.72Å; F147-Q394 HydrophobicContact CE1-CB 4.37Å; F147-Q394 HydrophobicContact CE1-CG 3.37Å; F147-Q394 HydrophobicContact CE2-CG 4.37Å; F147-Q394 HydrophobicContact CG-CG 4.38Å; F147-Q394 HydrophobicContact CZ-CG 3.75Å; I378-Q394 HydrophobicContact CD1-CB 3.74Å; I378-Q394 HydrophobicContact CD1-CG 3.85Å; V390-Q394 WeakPolarHBondContact O-CB 3.46Å; V390-Q394 PolarHBondContact O-N 2.8Å; L391-Q394 PolarHBondContact O-N 2.86Å; Q394-F398 WeakPolarHBondContact O-CB 3.25Å; Q394-F398 PolarHBondContact O-N 2.88Å
395	N	97.5	Very high	96	Very high	53 Å²	53	29.7 Å²	29.7	28%	0.283	15%	0.149	S	C	.	.	H	α-helix	trans	-60.6	-47.7	179.7	-66.2	-11.3	0	0	0	111.9	L391 R392 F393 K399 S604	L391-N395 WeakPolarHBondContact O-CB 3.47Å; L391-N395 PolarHBondContact O-N 3.3Å; L391-N395 PolarHBondContact O-ND2 2.95Å; L391-N395 PolarHBondContact O-OD1 2.83Å; R392-N395 PolarHBondContact O-N 2.75Å; F393-N395 PolarHBondContact O-N 2.76Å; N395-K399 VanDerWaalsContact O-CB 3.31Å; N395-K399 WeakPolarHBondContact O-CB 3.47Å; N395-K399 PolarHBondContact O-N 2.96Å; N395-S604 PolarHBondContact OD1-OG 2.89Å
396	E	98.1	Very high	96.2	Very high	25 Å²	25	31.9 Å²	31.9	12%	0.117	16%	0.16	C	C	.	.	H	α-helix	trans	-72.8	-39.1	-176	-65.4	-85.8	-153.4	0	0	111.9	L45 H46 F172 R392 F393 D400	L45-E396 HydrophobicContact CD1-CB 3.92Å; H46-E396 IonicContact CE1-OE2 3.59Å; H46-E396 PolarHBondContact CE1-OE2 2.94Å; H46-E396 IonicContact ND1-OE2 2.7Å; H46-E396 IonicContact NE2-OE1 3.36Å; H46-E396 PolarHBondContact NE2-OE1 3.23Å; H46-E396 IonicContact NE2-OE2 3.42Å; H46-E396 PolarHBondContact NE2-OE2 3.1Å; F172-E396 HydrophobicContact CD2-CB 3.78Å; F172-E396 HydrophobicContact CD2-CG 4.36Å; F172-E396 HydrophobicContact CE2-CB 3.91Å; F172-E396 HydrophobicContact CE2-CG 4.02Å; R392-E396 HydrophobicContact CG-CG 4.37Å; R392-E396 IonicContact CZ-OE1 3.25Å; R392-E396 IonicContact NE-OE1 2.88Å; R392-E396 PolarHBondContact NE-OE1 3.48Å; R392-E396 IonicContact NH2-OE1 2.68Å; R392-E396 PolarHBondContact NH2-OE1 3.05Å; R392-E396 WeakPolarHBondContact O-CB 3.17Å; R392-E396 WeakPolarHBondContact O-CG 3.27Å; R392-E396 PolarHBondContact O-N 3.26Å; R392-E396 VanDerWaalsContact O-N 3.1Å; F393-E396 PolarHBondContact O-N 3.35Å; E396-D400 WeakPolarHBondContact O-CB 3.48Å; E396-D400 PolarHBondContact O-N 3.44Å
397	V	98.2	Very high	96.4	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-66.9	-45.2	173.8	168.8	0	0	0	0	111.2	F147 F172 F393 K399 D400 T401	F147-V397 HydrophobicContact CE1-CG1 4.36Å; F147-V397 HydrophobicContact CZ-CG1 4.34Å; F172-V397 HydrophobicContact CB-CG2 4.49Å; F393-V397 HydrophobicContact CD2-CG2 3.91Å; F393-V397 HydrophobicContact CE1-CG2 4.36Å; F393-V397 HydrophobicContact CE2-CG2 3.6Å; F393-V397 HydrophobicContact CG-CG2 4.42Å; F393-V397 HydrophobicContact CZ-CG2 3.85Å; F393-V397 WeakPolarHBondContact O-CB 3.36Å; F393-V397 VanDerWaalsContact O-CG2 3.31Å; F393-V397 WeakPolarHBondContact O-CG2 3.28Å; F393-V397 PolarHBondContact O-N 2.88Å; V397-K399 PolarHBondContact O-N 3.47Å; V397-D400 PolarHBondContact O-N 2.99Å; V397-T401 HydrophobicContact CG1-CG2 4.25Å; V397-T401 WeakPolarHBondContact O-CB 3.46Å; V397-T401 WeakPolarHBondContact O-CG2 3.39Å; V397-T401 PolarHBondContact O-N 3.44Å; V397-T401 PolarHBondContact O-OG1 2.92Å
398	F	98.1	Very high	96.7	Very high	27 Å²	27	34.3 Å²	34.3	12%	0.118	17%	0.167	C	C	.	.	H	α-helix	trans	-59.4	-47.9	177.1	-179.3	-107.5	0	0	0	111.5	F147 N148 Q394 T401 T402 A606	F147-F398 HydrophobicContact CD1-CB 3.94Å; F147-F398 HydrophobicContact CD1-CD2 4.01Å; F147-F398 HydrophobicContact CD1-CG 4.37Å; F147-F398 HydrophobicContact CE1-CB 4.09Å; N148-F398 HydrophobicContact CB-CE2 3.98Å; N148-F398 HydrophobicContact CB-CZ 3.82Å; N148-F398 WeakPolarHBondContact O-CE2 3.02Å; Q394-F398 WeakPolarHBondContact O-CB 3.25Å; Q394-F398 PolarHBondContact O-N 2.88Å; F398-T401 PolarHBondContact O-N 3.25Å; F398-T401 PolarHBondContact O-OG1 3.3Å; F398-T402 HydrophobicContact CD2-CG2 4.21Å; F398-T402 HydrophobicContact CE1-CG2 4.46Å; F398-T402 HydrophobicContact CE2-CG2 3.84Å; F398-T402 HydrophobicContact CZ-CG2 3.98Å; F398-T402 WeakPolarHBondContact O-CB 3.44Å; F398-T402 WeakPolarHBondContact O-CG2 3.39Å; F398-T402 PolarHBondContact O-N 2.78Å; F398-T402 VanDerWaalsContact O-N 3.1Å; F398-T402 PolarHBondContact O-OG1 3.49Å; F398-A606 HydrophobicContact CB-CB 3.59Å; F398-A606 HydrophobicContact CD1-CB 3.64Å; F398-A606 HydrophobicContact CG-CB 3.73Å
399	K	97.6	Very high	96.8	Very high	105 Å²	105	34.5 Å²	34.5	46%	0.457	17%	0.169	S	C	.	.	H	α-helix	trans	-58.3	-50.6	177.3	-175	-179	-178.7	-178.4	0	111.9	N395 V397 T402 E403	N395-K399 VanDerWaalsContact O-CB 3.31Å; N395-K399 WeakPolarHBondContact O-CB 3.47Å; N395-K399 PolarHBondContact O-N 2.96Å; V397-K399 PolarHBondContact O-N 3.47Å; K399-T402 PolarHBondContact O-N 2.78Å; K399-T402 PolarHBondContact O-OG1 3.21Å; K399-E403 WeakPolarHBondContact CE-OE1 3.41Å; K399-E403 WeakPolarHBondContact CE-OE2 3.13Å; K399-E403 VanDerWaalsContact CG-CD 3.46Å; K399-E403 HydrophobicContact CG-CG 4.15Å; K399-E403 WeakPolarHBondContact CG-OE1 3.38Å; K399-E403 VanDerWaalsContact O-CB 3.27Å; K399-E403 WeakPolarHBondContact O-CB 3.36Å; K399-E403 WeakPolarHBondContact O-CG 3.38Å; K399-E403 PolarHBondContact O-N 2.95Å
400	D	97.3	Very high	96.5	Very high	7 Å²	7	38.2 Å²	38.2	4%	0.037	21%	0.207	C	C	.	.	H	α-helix	trans	-68.1	-37.7	-177.4	-178.2	73.2	0	0	0	112.8	L45 S168 R171 E396 V397 T402 K404	L45-D400 HydrophobicContact CD2-CB 3.68Å; L45-D400 WeakPolarHBondContact CD2-OD2 3.41Å; S168-D400 VanDerWaalsContact CB-OD2 3.25Å; S168-D400 WeakPolarHBondContact CB-OD2 3.39Å; S168-D400 PolarHBondContact OG-OD2 3.21Å; R171-D400 IonicContact CZ-OD1 3.04Å; R171-D400 IonicContact CZ-OD2 3.16Å; R171-D400 IonicContact NH1-OD1 3.89Å; R171-D400 PolarHBondContact NH1-OD1 2.63Å; R171-D400 IonicContact NH1-OD2 2.9Å; R171-D400 PolarHBondContact NH1-OD2 2.84Å; R171-D400 IonicContact NH2-OD1 3.76Å; R171-D400 PolarHBondContact NH2-OD1 2.65Å; R171-D400 IonicContact NH2-OD2 2.75Å; E396-D400 WeakPolarHBondContact O-CB 3.48Å; E396-D400 PolarHBondContact O-N 3.44Å; V397-D400 PolarHBondContact O-N 2.99Å; D400-T402 PolarHBondContact O-N 2.92Å; D400-K404 CarbonylContact O-C 3.07Å; D400-K404 VanDerWaalsContact O-CA 3.26Å; D400-K404 WeakPolarHBondContact O-CA 3.35Å; D400-K404 PolarHBondContact O-N 3.39Å
401	T	96.7	Very high	96.1	Very high	8 Å²	8	40.2 Å²	40.2	5%	0.049	22%	0.221	C	C	.	.	H	α-helix	trans	-65.7	-33.9	174.8	53.8	0	0	0	0	113.6	N164 M165 S168 V397 F398 P405	N164-T401 HydrophobicContact CB-CG2 3.99Å; M165-T401 HydrophobicContact CG-CG2 4.07Å; S168-T401 VanDerWaalsContact OG-CG2 3.29Å; S168-T401 WeakPolarHBondContact OG-CG2 3.37Å; V397-T401 HydrophobicContact CG1-CG2 4.25Å; V397-T401 WeakPolarHBondContact O-CB 3.46Å; V397-T401 WeakPolarHBondContact O-CG2 3.39Å; V397-T401 PolarHBondContact O-N 3.44Å; V397-T401 PolarHBondContact O-OG1 2.92Å; F398-T401 PolarHBondContact O-N 3.25Å; F398-T401 PolarHBondContact O-OG1 3.3Å; T401-P405 WeakPolarHBondContact O-CB 3.46Å; T401-P405 WeakPolarHBondContact O-CD 3.31Å
402	T	96.5	Very high	95.5	Very high	21 Å²	21	42 Å²	42	13%	0.129	24%	0.242	C	C	.	.	H	α-helix	trans	-88.6	-38.7	-176.8	52.2	0	0	0	0	113.3	D150 K152 F398 K399 D400	D150-T402 HydrophobicContact CB-CG2 4.42Å; K152-T402 PolarHBondContact NZ-O 3.02Å; F398-T402 HydrophobicContact CD2-CG2 4.21Å; F398-T402 HydrophobicContact CE1-CG2 4.46Å; F398-T402 HydrophobicContact CE2-CG2 3.84Å; F398-T402 HydrophobicContact CZ-CG2 3.98Å; F398-T402 WeakPolarHBondContact O-CB 3.44Å; F398-T402 WeakPolarHBondContact O-CG2 3.39Å; F398-T402 PolarHBondContact O-N 2.78Å; F398-T402 VanDerWaalsContact O-N 3.1Å; F398-T402 PolarHBondContact O-OG1 3.49Å; K399-T402 PolarHBondContact O-N 2.78Å; K399-T402 PolarHBondContact O-OG1 3.21Å; D400-T402 PolarHBondContact O-N 2.92Å
403	E	96.1	Very high	94.8	Very high	111 Å²	111	43.4 Å²	43.4	52%	0.519	25%	0.254	S	S	.	.	H	α-helix	trans	-80.2	-38.2	176.3	-66.9	-178.1	178.8	0	0	112.8	K399	K399-E403 WeakPolarHBondContact CE-OE1 3.41Å; K399-E403 WeakPolarHBondContact CE-OE2 3.13Å; K399-E403 VanDerWaalsContact CG-CD 3.46Å; K399-E403 HydrophobicContact CG-CG 4.15Å; K399-E403 WeakPolarHBondContact CG-OE1 3.38Å; K399-E403 VanDerWaalsContact O-CB 3.27Å; K399-E403 WeakPolarHBondContact O-CB 3.36Å; K399-E403 WeakPolarHBondContact O-CG 3.38Å; K399-E403 PolarHBondContact O-N 2.95Å
404	K	95.1	Very high	94.5	Very high	104 Å²	104	44.8 Å²	44.8	45%	0.452	27%	0.265	S	S	.	.	S	Bend	trans	-138	51.1	-168.3	-56.7	173.6	-167.2	166	0	112.9	D400 L406	D400-K404 CarbonylContact O-C 3.07Å; D400-K404 VanDerWaalsContact O-CA 3.26Å; D400-K404 WeakPolarHBondContact O-CA 3.35Å; D400-K404 PolarHBondContact O-N 3.39Å; K404-L406 PolarHBondContact O-N 3.09Å
405	P	95.9	Very high	94.2	Very high	15 Å²	15	50.3 Å²	50.3	10%	0.097	31%	0.311	C	S	.	.			trans	-56.7	135.5	174.7	24.1	-32	0	0	0	110.5	Y155 T401 H408	Y155-P405 HydrophobicContact CD1-CB 3.99Å; Y155-P405 HydrophobicContact CD1-CG 4.07Å; Y155-P405 HydrophobicContact CE1-CB 3.68Å; Y155-P405 HydrophobicContact CE1-CG 3.48Å; Y155-P405 VanDerWaalsContact CE1-CG 3.48Å; T401-P405 WeakPolarHBondContact O-CB 3.46Å; T401-P405 WeakPolarHBondContact O-CD 3.31Å; P405-H408 PolarHBondContact O-CE1 2.66Å
406	L	95.1	Very high	94.1	Very high	48 Å²	48	50.2 Å²	50.2	25%	0.251	31%	0.312	S	S	.	.	S	Bend	trans	-94.8	-10.4	-178.6	-67.1	176.5	0	0	0	112.9	V42 N164 C167 L273 P276 K404	V42-L406 HydrophobicContact CG1-CD2 4.02Å; N164-L406 PolarHBondContact OD1-N 2.71Å; C167-L406 HydrophobicContact CB-CD1 3.95Å; L273-L406 HydrophobicContact CD2-CD1 4.18Å; P276-L406 HydrophobicContact CB-CB 4.05Å; P276-L406 HydrophobicContact CG-CB 3.87Å; P276-L406 HydrophobicContact CG-CD1 4.1Å; K404-L406 PolarHBondContact O-N 3.09Å
407	V	95.5	Very high	94	Very high	5 Å²	5	53.6 Å²	53.6	3%	0.03	33%	0.331	C	S	.	.	S	Bend	trans	-134.3	136	170	179.2	0	0	0	0	108.7	T163 N164 P276	T163-V407 HydrophobicContact CG2-CB 4.16Å; T163-V407 HydrophobicContact CG2-CG2 3.64Å; N164-V407 PolarHBondContact ND2-O 2.74Å; N164-V407 PolarHBondContact OD1-N 2.81Å; N164-V407 PolarHBondContact OD1-O 2.54Å; P276-V407 HydrophobicContact CB-CG2 3.62Å
408	H	96.9	Very high	93.9	Very high	87 Å²	87	54.1 Å²	54.1	40%	0.403	33%	0.334	S	S	.	.			trans	-108.9	157.2	-177.9	-51.1	-72.1	0	0	0	110.9	Y155 P405 G410 S411	Y155-H408 HydrophobicContact CE1-CB 4.43Å; Y155-H408 AromaticContact CE1-ND1 3.73Å; Y155-H408 AromaticContact CZ-ND1 3.76Å; Y155-H408 PolarHBondContact OH-ND1 2.99Å; P405-H408 PolarHBondContact O-CE1 2.66Å; H408-G410 PolarHBondContact O-N 2.86Å; H408-S411 PolarHBondContact N-OG 3.05Å; H408-S411 WeakPolarHBondContact O-CB 3.19Å; H408-S411 PolarHBondContact O-N 2.74Å; H408-S411 PolarHBondContact O-OG 3.07Å
409	P	95.3	Very high	93.8	Very high	43 Å²	43	55.7 Å²	55.7	28%	0.279	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	137.8	170.3	-27.8	38.1	0	0	0	111.7	E154 Y155 V160 S411	E154-P409 HydrophobicContact CB-CB 4.37Å; E154-P409 HydrophobicContact CB-CG 3.97Å; E154-P409 HydrophobicContact CG-CB 4.41Å; E154-P409 HydrophobicContact CG-CG 3.75Å; E154-P409 VanDerWaalsContact O-CG 3.26Å; E154-P409 WeakPolarHBondContact O-CG 3.36Å; Y155-P409 HydrophobicContact CD2-CG 4.1Å; Y155-P409 HydrophobicContact CE2-CG 4.17Å; Y155-P409 HydrophobicContact CG-CG 4.27Å; V160-P409 HydrophobicContact CG1-CG 4.3Å; V160-P409 HydrophobicContact CG2-CG 4.47Å; P409-S411 VanDerWaalsContact C-N 3.26Å; P409-S411 PolarHBondContact O-N 3.05Å
410	G	89.3	Confident	93.7	Very high	79 Å²	79	55.5 Å²	55.5	81%	0.814	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	5.3	-173.9	0	0	0	0	0	115.8	H408 A412	H408-G410 PolarHBondContact O-N 2.86Å; G410-A412 PolarHBondContact O-N 3.26Å
411	S	89.6	Confident	93.7	Very high	41 Å²	41	57.2 Å²	57.2	29%	0.287	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-58.5	133.7	173.3	-64.4	0	0	0	0	111.4	H408 P409	H408-S411 PolarHBondContact N-OG 3.05Å; H408-S411 WeakPolarHBondContact O-CB 3.19Å; H408-S411 PolarHBondContact O-N 2.74Å; H408-S411 PolarHBondContact O-OG 3.07Å; P409-S411 VanDerWaalsContact C-N 3.26Å; P409-S411 PolarHBondContact O-N 3.05Å
412	A	84.2	Confident	93.8	Very high	81 Å²	81	57.2 Å²	57.2	67%	0.669	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-68.6	130	174.5	0	0	0	0	0	110.6	G410	G410-A412 PolarHBondContact O-N 3.26Å
413	P	81.5	Confident	93.9	Very high	52 Å²	52	61.5 Å²	61.5	34%	0.338	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-57.6	143.4	166.2	-21.9	33.1	0	0	0	111.1	S281 K284	S281-P413 WeakPolarHBondContact OG-CB 3.42Å; K284-P413 HydrophobicContact CD-CG 3.71Å
414	A	91.4	Very high	94	Very high	29 Å²	29	60.7 Å²	60.7	24%	0.24	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-64.1	146.2	172	0	0	0	0	0	111.2	A277 E278 S281 V416	A277-A414 HydrophobicContact CB-CB 4.02Å; A277-A414 WeakPolarHBondContact O-CB 3.49Å; A277-A414 PolarHBondContact O-N 2.99Å; E278-A414 HydrophobicContact CG-CB 3.87Å; S281-A414 PolarHBondContact OG-N 2.83Å; S281-A414 PolarHBondContact OG-O 2.91Å; A414-V416 HydrophobicContact CB-CG1 4.21Å; A414-V416 HydrophobicContact CB-CG2 4.28Å; A414-V416 PolarHBondContact O-N 3.25Å
415	A	92.2	Very high	94.2	Very high	116 Å²	116	56.2 Å²	56.2	96%	0.959	37%	0.366	S	S	*	.	S	Bend	trans	-75.9	73.5	173.6	0	0	0	0	0	110.7
416	V	95.3	Very high	94.2	Very high	51 Å²	51	62.1 Å²	62.1	31%	0.309	39%	0.393	S	S	.	.			trans	-125.4	143.6	-179.8	-67	0	0	0	0	112.4	E278 A414 S418	E278-V416 HydrophobicContact CB-CG2 4.4Å; E278-V416 HydrophobicContact CG-CG1 3.88Å; E278-V416 HydrophobicContact CG-CG2 4.4Å; A414-V416 HydrophobicContact CB-CG1 4.21Å; A414-V416 HydrophobicContact CB-CG2 4.28Å; A414-V416 PolarHBondContact O-N 3.25Å; V416-S418 PolarHBondContact O-N 3.11Å
417	D	95.8	Very high	94.2	Very high	95 Å²	95	61.9 Å²	61.9	51%	0.508	39%	0.39	S	S	.	.			trans	-71.1	90	174.4	-178.3	2.6	0	0	0	110.9	A419 S420 A421	D417-A419 VanDerWaalsContact C-N 3.28Å; D417-A419 WeakPolarHBondContact OD1-CA 3.37Å; D417-A419 WeakPolarHBondContact OD1-CB 3.21Å; D417-A419 PolarHBondContact OD1-N 3.18Å; D417-S420 PolarHBondContact OD1-N 3.28Å; D417-S420 WeakPolarHBondContact OD2-CB 3.39Å; D417-S420 PolarHBondContact OD2-OG 3.39Å; D417-A421 WeakPolarHBondContact O-CB 3.21Å; D417-A421 PolarHBondContact O-N 2.79Å
418	S	97.1	Very high	94.3	Very high	11 Å²	11	67.6 Å²	67.6	8%	0.077	42%	0.416	C	S	.	.	H	α-helix	trans	-73	-18.9	175.3	-59.9	0	0	0	0	113	H282 V416 V422	H282-S418 PolarHBondContact ND1-OG 2.88Å; V416-S418 PolarHBondContact O-N 3.11Å; S418-V422 VanDerWaalsContact O-CB 3.28Å; S418-V422 WeakPolarHBondContact O-CB 3.49Å; S418-V422 WeakPolarHBondContact O-CG2 3.2Å; S418-V422 PolarHBondContact O-N 2.92Å
419	A	95.4	Very high	94.3	Very high	61 Å²	61	65.9 Å²	65.9	50%	0.504	41%	0.409	S	S	.	.	H	α-helix	trans	-75.5	-35	178.8	0	0	0	0	0	111.7	Y285 D417	Y285-A419 HydrophobicContact CE2-CB 4.08Å; D417-A419 VanDerWaalsContact C-N 3.28Å; D417-A419 WeakPolarHBondContact OD1-CA 3.37Å; D417-A419 WeakPolarHBondContact OD1-CB 3.21Å; D417-A419 PolarHBondContact OD1-N 3.18Å
420	S	96.3	Very high	94.4	Very high	101 Å²	101	66.4 Å²	66.4	71%	0.706	41%	0.41	S	S	*	.	H	α-helix	trans	-79.3	-29.7	169.7	-63.3	0	0	0	0	113.4	D417	D417-S420 PolarHBondContact OD1-N 3.28Å; D417-S420 WeakPolarHBondContact OD2-CB 3.39Å; D417-S420 PolarHBondContact OD2-OG 3.39Å
421	A	97.3	Very high	94.8	Very high	42 Å²	42	73 Å²	73	35%	0.347	41%	0.41	S	S	.	.	H	α-helix	trans	-83.2	-30	-176.7	0	0	0	0	0	114.5	F264 D417	F264-A421 WeakPolarHBondContact CB-O 3.48Å; D417-A421 WeakPolarHBondContact O-CB 3.21Å; D417-A421 PolarHBondContact O-N 2.79Å
422	V	98.6	Very high	95.1	Very high	8 Å²	8	76.5 Å²	76.5	5%	0.048	42%	0.422	C	S	.	.			trans	-101.3	106.8	-177.8	-177.3	0	0	0	0	110.9	Y262 F264 H282 Y285 I286 S418 R424	Y262-V422 HydrophobicContact CD1-CG1 4.09Å; Y262-V422 HydrophobicContact CG-CG1 4.49Å; F264-V422 HydrophobicContact CB-CG2 4.08Å; F264-V422 HydrophobicContact CD1-CG2 4.15Å; F264-V422 HydrophobicContact CG-CG2 4.29Å; H282-V422 HydrophobicContact CB-CG2 3.72Å; Y285-V422 HydrophobicContact CD1-CB 3.99Å; Y285-V422 HydrophobicContact CD1-CG1 4.27Å; Y285-V422 HydrophobicContact CD1-CG2 4.08Å; Y285-V422 HydrophobicContact CE1-CB 4.05Å; Y285-V422 HydrophobicContact CE1-CG1 4.35Å; I286-V422 HydrophobicContact CD1-CG1 3.84Å; I286-V422 HydrophobicContact CG1-CG1 3.79Å; S418-V422 VanDerWaalsContact O-CB 3.28Å; S418-V422 WeakPolarHBondContact O-CB 3.49Å; S418-V422 WeakPolarHBondContact O-CG2 3.2Å; S418-V422 PolarHBondContact O-N 2.92Å; V422-R424 PolarHBondContact O-N 2.95Å
423	R	98.4	Very high	95.8	Very high	112 Å²	112	72.6 Å²	72.6	42%	0.423	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	109.1	174.4	-177.5	179.7	180	179	-1.4	110.3	Y262 V263 E323 L425	Y262-R423 CarbonylContact C-O 3.54Å; Y262-R423 WeakPolarHBondContact CA-O 3.34Å; V263-R423 HydrophobicContact CG2-CB 4Å; V263-R423 PolarHBondContact N-O 2.9Å; V263-R423 PolarHBondContact O-N 2.89Å; E323-R423 VanDerWaalsContact CD-NH1 3.32Å; E323-R423 IonicContact OE1-CZ 2.73Å; E323-R423 IonicContact OE1-NH1 3.29Å; E323-R423 PolarHBondContact OE1-NH1 3.25Å; E323-R423 IonicContact OE1-NH2 3.74Å; E323-R423 IonicContact OE2-CZ 3.2Å; E323-R423 IonicContact OE2-NH1 2.83Å; E323-R423 PolarHBondContact OE2-NH1 2.88Å; E323-R423 IonicContact OE2-NH2 2.76Å; E323-R423 PolarHBondContact OE2-NH2 3.14Å; R423-L425 HydrophobicContact CG-CD2 4.41Å; R423-L425 PolarHBondContact O-N 3.49Å
424	R	98.2	Very high	96.6	Very high	93 Å²	93	73.6 Å²	73.6	35%	0.351	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	125.1	161.7	-173.7	162.9	62.6	106.9	-5.5	108.7	N260 M261 Y262 V422	N260-R424 PolarHBondContact OD1-NH1 3.18Å; M261-R424 CarbonylContact O-C 3.38Å; M261-R424 WeakPolarHBondContact O-CA 3.44Å; Y262-R424 HydrophobicContact CD1-CB 3.78Å; Y262-R424 HydrophobicContact CD1-CG 4.02Å; Y262-R424 HydrophobicContact CE1-CB 3.9Å; Y262-R424 HydrophobicContact CE1-CG 3.82Å; V422-R424 PolarHBondContact O-N 2.95Å
425	L	98.1	Very high	96.9	Very high	10 Å²	10	75.8 Å²	75.8	5%	0.052	40%	0.403	C	S	.	.			trans	-75.4	142.6	177.4	-57.8	-176.2	0	0	0	109.9	M261 V263 L327 V328 R423 F427	M261-L425 HydrophobicContact CB-CB 4.17Å; M261-L425 HydrophobicContact CB-CD1 4.14Å; M261-L425 HydrophobicContact CB-CG 4.35Å; M261-L425 PolarHBondContact O-N 2.95Å; V263-L425 HydrophobicContact CG1-CD1 4.19Å; V263-L425 HydrophobicContact CG1-CD2 4.45Å; V263-L425 HydrophobicContact CG1-CG 4.42Å; V263-L425 HydrophobicContact CG2-CD2 3.94Å; L327-L425 HydrophobicContact CD1-CD2 3.84Å; V328-L425 HydrophobicContact CG2-CD1 3.68Å; R423-L425 HydrophobicContact CG-CD2 4.41Å; R423-L425 PolarHBondContact O-N 3.49Å; L425-F427 HydrophobicContact CB-CE2 3.82Å; L425-F427 HydrophobicContact CB-CZ 4.25Å; L425-F427 HydrophobicContact CD1-CE2 4.48Å; L425-F427 HydrophobicContact CD1-CZ 4.21Å
426	Q	95.6	Very high	97.2	Very high	140 Å²	140	70.7 Å²	70.7	65%	0.654	36%	0.363	S	S	*	.			trans	-123.2	147.2	172.8	-62.7	-175.9	7.1	0	0	108.2
427	F	96.8	Very high	97.4	Very high	43 Å²	43	68.4 Å²	68.4	19%	0.189	35%	0.349	C	S	.	.			trans	-129.6	132	-177.3	-66	-90.4	0	0	0	110.2	M261 L298 N321 A324 L325 V328 L425 L429	M261-F427 HydrophobicContact SD-CE2 3.67Å; M261-F427 HydrophobicContact SD-CZ 3.9Å; L298-F427 HydrophobicContact CD2-CB 4.33Å; L298-F427 HydrophobicContact CD2-CD1 3.45Å; L298-F427 VanDerWaalsContact CD2-CD1 3.45Å; L298-F427 HydrophobicContact CD2-CD2 3.76Å; L298-F427 HydrophobicContact CD2-CE1 3.5Å; L298-F427 HydrophobicContact CD2-CE2 3.81Å; L298-F427 HydrophobicContact CD2-CG 3.58Å; L298-F427 HydrophobicContact CD2-CZ 3.69Å; N321-F427 HydrophobicContact CB-CD1 4.04Å; N321-F427 WeakPolarHBondContact OD1-CA 3.26Å; A324-F427 HydrophobicContact CB-CD1 4.01Å; A324-F427 HydrophobicContact CB-CE1 3.47Å; A324-F427 VanDerWaalsContact CB-CE1 3.47Å; A324-F427 HydrophobicContact CB-CZ 3.82Å; L325-F427 HydrophobicContact CD2-CE1 4.38Å; L325-F427 HydrophobicContact CG-CE1 4.45Å; V328-F427 HydrophobicContact CG2-CZ 4.38Å; L425-F427 HydrophobicContact CB-CE2 3.82Å; L425-F427 HydrophobicContact CB-CZ 4.25Å; L425-F427 HydrophobicContact CD1-CE2 4.48Å; L425-F427 HydrophobicContact CD1-CZ 4.21Å; F427-L429 HydrophobicContact CB-CD2 4.39Å
428	H	96.9	Very high	97.5	Very high	124 Å²	124	69 Å²	69	57%	0.574	35%	0.346	S	S	*	.			trans	-83.1	113.9	173.2	-60.2	-70.3	0	0	0	108.7	T319 N321	T319-H428 HydrophobicContact CG2-CB 4.11Å; T319-H428 WeakPolarHBondContact CG2-O 3.05Å; N321-H428 PolarHBondContact ND2-O 3.18Å; N321-H428 PolarHBondContact OD1-N 2.94Å
429	L	97	Very high	97.6	Very high	51 Å²	51	72.7 Å²	72.7	27%	0.267	36%	0.361	S	S	.	.			trans	-106.9	140.3	178.2	-53.6	178.6	0	0	0	109	L296 L298 L316 F427 L433 E434 I437	L296-L429 HydrophobicContact CB-CD1 4.01Å; L296-L429 HydrophobicContact CD1-CD1 4.05Å; L298-L429 HydrophobicContact CD1-CD2 4.13Å; L316-L429 HydrophobicContact CD2-CD2 3.98Å; F427-L429 HydrophobicContact CB-CD2 4.39Å; L429-L433 HydrophobicContact CB-CB 4.3Å; L429-L433 HydrophobicContact CD2-CB 4.19Å; L429-L433 HydrophobicContact CD2-CD1 4.39Å; L429-E434 HydrophobicContact CB-CG 4.33Å; L429-I437 HydrophobicContact CD1-CD1 3.68Å; L429-I437 HydrophobicContact CD2-CD1 3.98Å; L429-I437 HydrophobicContact CG-CD1 4.47Å
430	D	96.6	Very high	97.7	Very high	54 Å²	54	69.8 Å²	69.8	29%	0.289	34%	0.338	S	S	.	.			trans	-109.2	173	167.3	92.8	-44.6	0	0	0	110.1	K315 E432 L433 E434	K315-D430 IonicContact NZ-OD1 2.62Å; K315-D430 PolarHBondContact NZ-OD1 3.12Å; K315-D430 IonicContact NZ-OD2 3.91Å; K315-D430 PolarHBondContact NZ-OD2 2.76Å; D430-E432 PolarHBondContact O-N 2.76Å; D430-E432 VanDerWaalsContact O-N 3.08Å; D430-E432 PolarHBondContact OD1-N 3Å; D430-L433 CarbonylContact O-C 3.59Å; D430-L433 WeakPolarHBondContact O-CA 3.39Å; D430-L433 WeakPolarHBondContact O-CB 3.48Å; D430-L433 PolarHBondContact O-N 3.01Å; D430-L433 WeakPolarHBondContact OD1-CG 3.15Å; D430-L433 PolarHBondContact OD1-N 2.89Å; D430-L433 VanDerWaalsContact OD1-N 3.16Å; D430-E434 WeakPolarHBondContact O-CG 3.34Å; D430-E434 PolarHBondContact O-N 3.32Å
431	R	97.6	Very high	97.8	Very high	218 Å²	218	67.7 Å²	67.7	82%	0.823	32%	0.316	S	S	*	.	H	α-helix	trans	-56.9	-30.1	-174	-65.3	-178.5	-179.8	176.6	0.1	114.1	S435	R431-S435 WeakPolarHBondContact O-CB 3.46Å; R431-S435 PolarHBondContact O-N 2.97Å; R431-S435 VanDerWaalsContact O-N 3.11Å
432	E	97.1	Very high	97.9	Very high	114 Å²	114	71 Å²	71	53%	0.533	32%	0.324	S	S	.	.	H	α-helix	trans	-70.3	-46.2	175.5	-171.6	178	-172.3	0	0	110.8	K315 D430 S435 G436	K315-E432 IonicContact NZ-OE2 2.99Å; K315-E432 PolarHBondContact NZ-OE2 2.74Å; D430-E432 PolarHBondContact O-N 2.76Å; D430-E432 VanDerWaalsContact O-N 3.08Å; D430-E432 PolarHBondContact OD1-N 3Å; E432-S435 PolarHBondContact O-N 2.99Å; E432-G436 PolarHBondContact O-N 3.13Å
433	L	98.3	Very high	97.9	Very high	0 Å²	0	73.7 Å²	73.7	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-63.3	-42.2	174.4	-68.1	168.7	0	0	0	112.5	L312 K315 L316 T319 L429 D430 S435 G436 I437	L312-L433 HydrophobicContact CD2-CD2 4.3Å; L312-L433 WeakPolarHBondContact O-CD2 3.36Å; K315-L433 HydrophobicContact CB-CD2 4.03Å; K315-L433 HydrophobicContact CB-CG 4.47Å; K315-L433 HydrophobicContact CG-CD1 4.17Å; K315-L433 HydrophobicContact CG-CD2 4Å; K315-L433 HydrophobicContact CG-CG 3.88Å; L316-L433 HydrophobicContact CD2-CD1 3.82Å; L316-L433 HydrophobicContact CD2-CD2 3.95Å; L316-L433 HydrophobicContact CD2-CG 4.47Å; L316-L433 HydrophobicContact CG-CD1 4.32Å; L316-L433 HydrophobicContact CG-CD2 3.76Å; T319-L433 HydrophobicContact CG2-CD1 4.46Å; L429-L433 HydrophobicContact CB-CB 4.3Å; L429-L433 HydrophobicContact CD2-CB 4.19Å; L429-L433 HydrophobicContact CD2-CD1 4.39Å; D430-L433 CarbonylContact O-C 3.59Å; D430-L433 WeakPolarHBondContact O-CA 3.39Å; D430-L433 WeakPolarHBondContact O-CB 3.48Å; D430-L433 PolarHBondContact O-N 3.01Å; D430-L433 WeakPolarHBondContact OD1-CG 3.15Å; D430-L433 PolarHBondContact OD1-N 2.89Å; D430-L433 VanDerWaalsContact OD1-N 3.16Å; L433-S435 VanDerWaalsContact C-N 3.31Å; L433-S435 PolarHBondContact O-N 3.23Å; L433-G436 PolarHBondContact O-N 3.33Å; L433-I437 VanDerWaalsContact O-CG1 3.31Å; L433-I437 WeakPolarHBondContact O-CG1 3.46Å; L433-I437 PolarHBondContact O-N 3.36Å
434	E	98.4	Very high	97.9	Very high	73 Å²	73	68.9 Å²	68.9	34%	0.341	32%	0.32	S	S	.	.	H	α-helix	trans	-59.2	-41.4	174.1	-63.8	-172.3	-177.6	0	0	112.2	L296 L429 D430 K438	L296-E434 HydrophobicContact CD1-CB 3.81Å; L296-E434 HydrophobicContact CD1-CG 3.57Å; L429-E434 HydrophobicContact CB-CG 4.33Å; D430-E434 WeakPolarHBondContact O-CG 3.34Å; D430-E434 PolarHBondContact O-N 3.32Å; E434-K438 WeakPolarHBondContact O-CD 3.23Å; E434-K438 VanDerWaalsContact O-CG 3.32Å; E434-K438 WeakPolarHBondContact O-CG 3.24Å; E434-K438 PolarHBondContact O-N 2.77Å; E434-K438 IonicContact OE2-NZ 2.63Å
435	S	98.4	Very high	97.9	Very high	74 Å²	74	67.7 Å²	67.7	52%	0.517	32%	0.321	S	S	.	.	H	α-helix	trans	-69.2	-40.4	176.7	-164	0	0	0	0	111.5	R431 E432 L433 I437 K438 K439	R431-S435 WeakPolarHBondContact O-CB 3.46Å; R431-S435 PolarHBondContact O-N 2.97Å; R431-S435 VanDerWaalsContact O-N 3.11Å; E432-S435 PolarHBondContact O-N 2.99Å; L433-S435 VanDerWaalsContact C-N 3.31Å; L433-S435 PolarHBondContact O-N 3.23Å; S435-I437 PolarHBondContact O-N 2.85Å; S435-K438 PolarHBondContact O-N 2.77Å; S435-K439 WeakPolarHBondContact O-CB 3.29Å; S435-K439 PolarHBondContact O-N 2.96Å
436	G	98.6	Very high	97.9	Very high	10 Å²	10	69.9 Å²	69.9	10%	0.103	34%	0.337	C	S	.	.	H	α-helix	trans	-61.3	-42.2	176.5	0	0	0	0	0	112.5	E432 L433 K439 A440	E432-G436 PolarHBondContact O-N 3.13Å; L433-G436 PolarHBondContact O-N 3.33Å; G436-K439 PolarHBondContact O-N 3.31Å; G436-A440 VanDerWaalsContact O-CB 3.24Å; G436-A440 WeakPolarHBondContact O-CB 3.49Å; G436-A440 PolarHBondContact O-N 2.87Å
437	I	98.7	Very high	98.1	Very high	3 Å²	3	65.1 Å²	65.1	2%	0.015	32%	0.322	C	S	.	.	H	α-helix	trans	-63.9	-42.6	176.6	-69	165.1	0	0	0	111.4	L296 L298 I300 L301 L429 L433 S435 K441	L296-I437 HydrophobicContact CB-CD1 4.1Å; L296-I437 HydrophobicContact CB-CG2 3.89Å; L296-I437 HydrophobicContact CD2-CB 4.22Å; L296-I437 HydrophobicContact CD2-CG2 3.85Å; L296-I437 HydrophobicContact CG-CG2 4.48Å; L298-I437 HydrophobicContact CD1-CD1 3.94Å; I300-I437 HydrophobicContact CG2-CB 4.47Å; I300-I437 HydrophobicContact CG2-CG2 3.85Å; L301-I437 HydrophobicContact CD1-CG1 3.89Å; L301-I437 HydrophobicContact CD2-CB 4.39Å; L301-I437 HydrophobicContact CD2-CG1 3.74Å; L301-I437 HydrophobicContact CG-CG1 3.83Å; L429-I437 HydrophobicContact CD1-CD1 3.68Å; L429-I437 HydrophobicContact CD2-CD1 3.98Å; L429-I437 HydrophobicContact CG-CD1 4.47Å; L433-I437 VanDerWaalsContact O-CG1 3.31Å; L433-I437 WeakPolarHBondContact O-CG1 3.46Å; L433-I437 PolarHBondContact O-N 3.36Å; S435-I437 PolarHBondContact O-N 2.85Å; I437-K441 PolarHBondContact O-N 3.22Å; I437-K441 VanDerWaalsContact O-N 3.11Å
438	K	98.5	Very high	98.1	Very high	106 Å²	106	64.2 Å²	64.2	46%	0.461	32%	0.32	S	S	.	.	H	α-helix	trans	-63.2	-48.2	175.5	-67.2	165.5	-164.4	169.8	0	111.3	L296 E434 S435 A440 K441 E442	L296-K438 HydrophobicContact CD2-CD 4.45Å; L296-K438 HydrophobicContact CD2-CG 3.9Å; E434-K438 WeakPolarHBondContact O-CD 3.23Å; E434-K438 VanDerWaalsContact O-CG 3.32Å; E434-K438 WeakPolarHBondContact O-CG 3.24Å; E434-K438 PolarHBondContact O-N 2.77Å; E434-K438 IonicContact OE2-NZ 2.63Å; S435-K438 PolarHBondContact O-N 2.77Å; K438-A440 VanDerWaalsContact C-N 3.35Å; K438-A440 PolarHBondContact O-N 3.45Å; K438-K441 PolarHBondContact O-N 3.35Å; K438-K441 VanDerWaalsContact O-N 3.13Å; K438-E442 PolarHBondContact O-N 2.62Å
439	K	98.6	Very high	98.2	Very high	89 Å²	89	62.9 Å²	62.9	39%	0.387	32%	0.324	S	S	.	.	H	α-helix	trans	-62.9	-39.3	179.5	-170.1	61.6	-114.7	170.5	0	112.3	S435 G436 K441 E442 N443	S435-K439 WeakPolarHBondContact O-CB 3.29Å; S435-K439 PolarHBondContact O-N 2.96Å; G436-K439 PolarHBondContact O-N 3.31Å; K439-K441 PolarHBondContact O-N 2.83Å; K439-E442 WeakPolarHBondContact CE-OE2 3.45Å; K439-E442 IonicContact NZ-OE2 3.96Å; K439-E442 PolarHBondContact NZ-OE2 3.18Å; K439-E442 PolarHBondContact O-N 2.98Å; K439-N443 VanDerWaalsContact CE-CG 3.48Å; K439-N443 WeakPolarHBondContact CE-OD1 3.31Å; K439-N443 PolarHBondContact NZ-OD1 3.13Å; K439-N443 WeakPolarHBondContact O-CB 3.34Å; K439-N443 VanDerWaalsContact O-CG 3.23Å; K439-N443 PolarHBondContact O-N 3.15Å; K439-N443 PolarHBondContact O-ND2 3.1Å
440	A	98.8	Very high	98.2	Very high	1 Å²	1	65.1 Å²	65.1	1%	0.008	33%	0.332	C	S	.	.	H	α-helix	trans	-61.5	-40.7	173.1	0	0	0	0	0	112.2	I300 L301 E304 G436 K438 N443 F444	I300-A440 HydrophobicContact CG1-CB 4.04Å; I300-A440 HydrophobicContact CG2-CB 3.96Å; L301-A440 HydrophobicContact CD2-CB 3.93Å; E304-A440 HydrophobicContact CG-CB 3.66Å; E304-A440 WeakPolarHBondContact OE1-CA 3.21Å; G436-A440 VanDerWaalsContact O-CB 3.24Å; G436-A440 WeakPolarHBondContact O-CB 3.49Å; G436-A440 PolarHBondContact O-N 2.87Å; K438-A440 VanDerWaalsContact C-N 3.35Å; K438-A440 PolarHBondContact O-N 3.45Å; A440-N443 PolarHBondContact O-N 2.91Å; A440-F444 VanDerWaalsContact O-CB 3.28Å; A440-F444 WeakPolarHBondContact O-CB 3.24Å; A440-F444 PolarHBondContact O-N 3.4Å
441	K	98.4	Very high	98.3	Very high	57 Å²	57	63 Å²	63	25%	0.248	32%	0.321	C	S	.	.	H	α-helix	trans	-66.9	-43.4	175.7	-167.8	62.4	170	74.2	0	112.2	I300 D356 I437 K438 K439 N443 F444 D445	I300-K441 HydrophobicContact CD1-CD 3.63Å; I300-K441 HydrophobicContact CG1-CB 4.12Å; I300-K441 HydrophobicContact CG1-CD 4.02Å; D356-K441 VanDerWaalsContact O-CE 3.24Å; D356-K441 WeakPolarHBondContact O-CE 2.92Å; I437-K441 PolarHBondContact O-N 3.22Å; I437-K441 VanDerWaalsContact O-N 3.11Å; K438-K441 PolarHBondContact O-N 3.35Å; K438-K441 VanDerWaalsContact O-N 3.13Å; K439-K441 PolarHBondContact O-N 2.83Å; K441-N443 VanDerWaalsContact C-N 3.32Å; K441-N443 PolarHBondContact O-N 3.26Å; K441-F444 PolarHBondContact O-N 3.24Å; K441-D445 IonicContact NZ-OD1 3.83Å; K441-D445 PolarHBondContact NZ-OD1 3.09Å; K441-D445 IonicContact NZ-OD2 3.23Å; K441-D445 PolarHBondContact NZ-OD2 2.83Å; K441-D445 WeakPolarHBondContact O-CB 3.43Å; K441-D445 VanDerWaalsContact O-CG 3.27Å; K441-D445 PolarHBondContact O-N 2.93Å
442	E	98.4	Very high	98.4	Very high	110 Å²	110	55.4 Å²	55.4	51%	0.514	30%	0.298	S	S	.	.	H	α-helix	trans	-58	-43.6	173	-68.5	169.1	-154.2	0	0	112.2	K438 K439 S446	K438-E442 PolarHBondContact O-N 2.62Å; K439-E442 WeakPolarHBondContact CE-OE2 3.45Å; K439-E442 IonicContact NZ-OE2 3.96Å; K439-E442 PolarHBondContact NZ-OE2 3.18Å; K439-E442 PolarHBondContact O-N 2.98Å; E442-S446 VanDerWaalsContact O-CB 3.29Å; E442-S446 WeakPolarHBondContact O-CB 3.07Å; E442-S446 PolarHBondContact O-N 2.82Å
443	N	98.6	Very high	98.4	Very high	66 Å²	66	50.2 Å²	50.2	35%	0.353	27%	0.274	S	S	.	.	H	α-helix	trans	-68.6	-43.7	-179.8	-74.2	-15	0	0	0	111.6	E304 K439 A440 K441 S446 A447	E304-N443 PolarHBondContact OE1-ND2 2.8Å; K439-N443 VanDerWaalsContact CE-CG 3.48Å; K439-N443 WeakPolarHBondContact CE-OD1 3.31Å; K439-N443 PolarHBondContact NZ-OD1 3.13Å; K439-N443 WeakPolarHBondContact O-CB 3.34Å; K439-N443 VanDerWaalsContact O-CG 3.23Å; K439-N443 PolarHBondContact O-N 3.15Å; K439-N443 PolarHBondContact O-ND2 3.1Å; A440-N443 PolarHBondContact O-N 2.91Å; K441-N443 VanDerWaalsContact C-N 3.32Å; K441-N443 PolarHBondContact O-N 3.26Å; N443-S446 PolarHBondContact O-N 2.96Å; N443-A447 WeakPolarHBondContact O-CB 3.27Å; N443-A447 PolarHBondContact O-N 3.01Å
444	F	98.8	Very high	98.4	Very high	10 Å²	10	50.4 Å²	50.4	4%	0.044	28%	0.276	C	S	.	.	H	α-helix	trans	-59.8	-50.4	173.9	178.9	-87	0	0	0	111.7	V138 I300 H354 G355 D356 G357 Y362 A440 K441 S446 A447 V448	V138-F444 HydrophobicContact CG1-CE2 4.12Å; I300-F444 HydrophobicContact CD1-CB 3.72Å; I300-F444 HydrophobicContact CD1-CD1 4.13Å; I300-F444 HydrophobicContact CD1-CD2 3.99Å; I300-F444 HydrophobicContact CD1-CG 3.69Å; H354-F444 HydrophobicContact CB-CE2 4.3Å; H354-F444 HydrophobicContact CB-CZ 4.04Å; G355-F444 WeakPolarHBondContact O-CZ 3.24Å; D356-F444 VanDerWaalsContact C-CE1 3.44Å; G357-F444 VanDerWaalsContact N-CZ 3.26Å; Y362-F444 HydrophobicContact CE2-CE2 4.37Å; Y362-F444 WeakPolarHBondContact OH-CE2 3.3Å; A440-F444 VanDerWaalsContact O-CB 3.28Å; A440-F444 WeakPolarHBondContact O-CB 3.24Å; A440-F444 PolarHBondContact O-N 3.4Å; K441-F444 PolarHBondContact O-N 3.24Å; F444-S446 VanDerWaalsContact C-N 3.31Å; F444-S446 PolarHBondContact O-N 3.08Å; F444-A447 PolarHBondContact O-N 2.63Å; F444-V448 HydrophobicContact CD1-CG2 4.11Å; F444-V448 HydrophobicContact CD2-CG2 4.45Å; F444-V448 HydrophobicContact CE1-CB 4.42Å; F444-V448 HydrophobicContact CE1-CG2 3.75Å; F444-V448 HydrophobicContact CE2-CG2 4.14Å; F444-V448 HydrophobicContact CG-CG2 4.45Å; F444-V448 HydrophobicContact CZ-CG2 3.77Å; F444-V448 WeakPolarHBondContact O-CB 3.43Å; F444-V448 PolarHBondContact O-N 3.37Å
445	D	98.6	Very high	98.2	Very high	68 Å²	68	48.4 Å²	48.4	36%	0.364	27%	0.272	S	S	.	.	H	α-helix	trans	-64.3	-37.6	-179.5	-70.5	-21	0	0	0	111.1	K441 A447 S449	K441-D445 IonicContact NZ-OD1 3.83Å; K441-D445 PolarHBondContact NZ-OD1 3.09Å; K441-D445 IonicContact NZ-OD2 3.23Å; K441-D445 PolarHBondContact NZ-OD2 2.83Å; K441-D445 WeakPolarHBondContact O-CB 3.43Å; K441-D445 VanDerWaalsContact O-CG 3.27Å; K441-D445 PolarHBondContact O-N 2.93Å; D445-A447 VanDerWaalsContact C-N 3.33Å; D445-A447 PolarHBondContact O-N 3.01Å; D445-S449 WeakPolarHBondContact O-CB 3.18Å; D445-S449 PolarHBondContact O-N 3.17Å; D445-S449 PolarHBondContact O-OG 2.74Å
446	S	98.3	Very high	98	Very high	56 Å²	56	46.6 Å²	46.6	39%	0.392	26%	0.256	S	S	.	.	H	α-helix	trans	-66.3	-30.8	172.4	-163.9	0	0	0	0	113.2	E442 N443 F444 S449 K450	E442-S446 VanDerWaalsContact O-CB 3.29Å; E442-S446 WeakPolarHBondContact O-CB 3.07Å; E442-S446 PolarHBondContact O-N 2.82Å; N443-S446 PolarHBondContact O-N 2.96Å; F444-S446 VanDerWaalsContact C-N 3.31Å; F444-S446 PolarHBondContact O-N 3.08Å; S446-S449 PolarHBondContact O-OG 2.71Å; S446-K450 WeakPolarHBondContact O-CD 3.3Å; S446-K450 VanDerWaalsContact O-CE 3.31Å; S446-K450 WeakPolarHBondContact O-CE 3.31Å; S446-K450 WeakPolarHBondContact O-CG 3.4Å; S446-K450 PolarHBondContact O-NZ 3.1Å; S446-K450 PolarHBondContact OG-NZ 3.35Å
447	A	98.1	Very high	97.8	Very high	41 Å²	41	49.6 Å²	49.6	34%	0.339	27%	0.267	S	S	.	.	H	α-helix	trans	-76.9	-49.8	176	0	0	0	0	0	111.5	L139 N443 F444 D445 K450	L139-A447 HydrophobicContact CD1-CB 4.47Å; N443-A447 WeakPolarHBondContact O-CB 3.27Å; N443-A447 PolarHBondContact O-N 3.01Å; F444-A447 PolarHBondContact O-N 2.63Å; D445-A447 VanDerWaalsContact C-N 3.33Å; D445-A447 PolarHBondContact O-N 3.01Å; A447-K450 PolarHBondContact O-N 2.74Å
448	V	97.9	Very high	97.7	Very high	24 Å²	24	49.5 Å²	49.5	15%	0.145	27%	0.267	C	S	.	.	H	α-helix	trans	-67.1	-39.4	-176.2	167.6	0	0	0	0	112.3	H354 F444 K450 L451	H354-V448 HydrophobicContact CB-CG2 4.25Å; H354-V448 WeakPolarHBondContact CE1-CG1 3.46Å; F444-V448 HydrophobicContact CD1-CG2 4.11Å; F444-V448 HydrophobicContact CD2-CG2 4.45Å; F444-V448 HydrophobicContact CE1-CB 4.42Å; F444-V448 HydrophobicContact CE1-CG2 3.75Å; F444-V448 HydrophobicContact CE2-CG2 4.14Å; F444-V448 HydrophobicContact CG-CG2 4.45Å; F444-V448 HydrophobicContact CZ-CG2 3.77Å; F444-V448 WeakPolarHBondContact O-CB 3.43Å; F444-V448 PolarHBondContact O-N 3.37Å; V448-K450 PolarHBondContact O-N 3.48Å; V448-L451 WeakPolarHBondContact O-CB 3.3Å; V448-L451 PolarHBondContact O-N 3.18Å
449	S	98.1	Very high	97.6	Very high	95 Å²	95	51.2 Å²	51.2	66%	0.664	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-11.7	177.7	54.7	0	0	0	0	114.8	D445 S446	D445-S449 WeakPolarHBondContact O-CB 3.18Å; D445-S449 PolarHBondContact O-N 3.17Å; D445-S449 PolarHBondContact O-OG 2.74Å; S446-S449 PolarHBondContact O-OG 2.71Å
450	K	98.1	Very high	97.4	Very high	98 Å²	98	51 Å²	51	43%	0.426	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-13.8	174.6	-63	175.2	-175.8	114.3	0	112.8	S446 A447 V448 Y638 P639	S446-K450 WeakPolarHBondContact O-CD 3.3Å; S446-K450 VanDerWaalsContact O-CE 3.31Å; S446-K450 WeakPolarHBondContact O-CE 3.31Å; S446-K450 WeakPolarHBondContact O-CG 3.4Å; S446-K450 PolarHBondContact O-NZ 3.1Å; S446-K450 PolarHBondContact OG-NZ 3.35Å; A447-K450 PolarHBondContact O-N 2.74Å; V448-K450 PolarHBondContact O-N 3.48Å; K450-Y638 HydrophobicContact CB-CD1 4.28Å; K450-P639 HydrophobicContact CB-CG 4.02Å; K450-P639 HydrophobicContact CG-CG 4.45Å; K450-P639 VanDerWaalsContact O-CD 3.24Å; K450-P639 WeakPolarHBondContact O-CD 3.37Å; K450-P639 WeakPolarHBondContact O-CG 3.43Å
451	L	98.6	Very high	97.2	Very high	11 Å²	11	51.2 Å²	51.2	6%	0.058	28%	0.275	C	S	.	.			trans	-88.5	123.6	-175.5	-169.6	74.9	0	0	0	110.7	L139 H350 L353 V448 I453 A613 A637 Y638	L139-L451 HydrophobicContact CD1-CD2 4.39Å; L139-L451 HydrophobicContact CD2-CD2 3.84Å; H350-L451 PolarHBondContact CE1-O 3.27Å; L353-L451 HydrophobicContact CD2-CD2 3.87Å; V448-L451 WeakPolarHBondContact O-CB 3.3Å; V448-L451 PolarHBondContact O-N 3.18Å; L451-I453 HydrophobicContact CD2-CD1 3.96Å; L451-I453 HydrophobicContact CD2-CG1 4.08Å; L451-I453 HydrophobicContact CG-CG1 4.2Å; L451-A613 HydrophobicContact CD1-CB 3.85Å; L451-A637 WeakPolarHBondContact CA-O 3.23Å; L451-Y638 HydrophobicContact CB-CE1 4.48Å; L451-Y638 HydrophobicContact CD1-CD1 4.15Å; L451-Y638 HydrophobicContact CD1-CE1 3.84Å
452	T	98.6	Very high	97.1	Very high	57 Å²	57	48.5 Å²	48.5	35%	0.35	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	136.1	166.1	-44.5	0	0	0	0	108.8	S636 A637 V643	T452-S636 CarbonylContact O-C 3.59Å; T452-S636 VanDerWaalsContact O-CA 3.29Å; T452-S636 WeakPolarHBondContact O-CA 3.07Å; T452-A637 PolarHBondContact N-O 2.99Å; T452-A637 PolarHBondContact O-N 3.39Å; T452-V643 HydrophobicContact CG2-CG2 3.56Å
453	I	98.4	Very high	96.9	Very high	5 Å²	5	45.7 Å²	45.7	3%	0.026	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	140.3	170.1	-52.8	176.4	0	0	0	108.6	I346 L353 L451 N634 V635	I346-I453 HydrophobicContact CG2-CB 4.48Å; I346-I453 WeakPolarHBondContact CG2-O 3.3Å; L353-I453 HydrophobicContact CD2-CD1 4.08Å; L451-I453 HydrophobicContact CD2-CD1 3.96Å; L451-I453 HydrophobicContact CD2-CG1 4.08Å; L451-I453 HydrophobicContact CG-CG1 4.2Å; I453-N634 VanDerWaalsContact CG2-OD1 3.3Å; I453-N634 WeakPolarHBondContact CG2-OD1 3.47Å; I453-V635 WeakPolarHBondContact CA-O 3.35Å
454	A	97.4	Very high	96.7	Very high	4 Å²	4	46.1 Å²	46.1	3%	0.033	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	158.2	170.2	0	0	0	0	0	110.2	I346 V635 V643 L647	I346-A454 HydrophobicContact CD1-CB 4.37Å; A454-V635 PolarHBondContact N-O 3.25Å; A454-V635 PolarHBondContact O-N 2.68Å; A454-V643 HydrophobicContact CB-CB 4.11Å; A454-V643 HydrophobicContact CB-CG2 3.56Å; A454-L647 VanDerWaalsContact C-CD1 3.42Å; A454-L647 HydrophobicContact CB-CD1 3.41Å; A454-L647 VanDerWaalsContact CB-CD1 3.41Å; A454-L647 WeakPolarHBondContact O-CD1 3.46Å
455	A	94.7	Very high	96.6	Very high	31 Å²	31	48 Å²	48	26%	0.256	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	154.5	-178	0	0	0	0	0	112.3	H345 C633	H345-A455 HydrophobicContact CB-CB 4.37Å; A455-C633 CarbonylContact C-O 3.51Å; A455-C633 WeakPolarHBondContact CA-O 3.23Å; A455-C633 WeakPolarHBondContact CB-O 3.44Å
456	I	94.5	Very high	96.5	Very high	36 Å²	36	44.8 Å²	44.8	19%	0.185	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	156.3	173.3	66.4	-179.5	0	0	0	112.1	C633 L647 V650 H651	I456-C633 HydrophobicContact CG1-CB 4.04Å; I456-C633 PolarHBondContact N-O 3.13Å; I456-C633 PolarHBondContact O-N 3.44Å; I456-C633 VanDerWaalsContact O-N 3.08Å; I456-L647 HydrophobicContact CD1-CB 4.47Å; I456-L647 HydrophobicContact CD1-CD2 3.96Å; I456-L647 HydrophobicContact CG1-CD2 3.96Å; I456-L647 HydrophobicContact CG2-CB 3.87Å; I456-L647 HydrophobicContact CG2-CD1 4.28Å; I456-L647 HydrophobicContact CG2-CD2 4.22Å; I456-L647 HydrophobicContact CG2-CG 4.36Å; I456-V650 HydrophobicContact CD1-CB 4.28Å; I456-V650 HydrophobicContact CD1-CG1 4.02Å; I456-H651 HydrophobicContact CD1-CB 4.3Å
457	E	94	Very high	96.4	Very high	73 Å²	73	48.2 Å²	48.2	34%	0.341	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	101.6	170.8	-59	-180	154.9	0	0	109	H345 K459 W630	H345-E457 IonicContact CE1-OE1 2.71Å; H345-E457 PolarHBondContact CE1-OE1 3.36Å; H345-E457 IonicContact ND1-OE1 3.17Å; E457-K459 HydrophobicContact CB-CG 4.38Å; E457-K459 PolarHBondContact O-N 3.45Å; E457-K459 WeakPolarHBondContact OE2-CE 3.42Å; E457-K459 IonicContact OE2-NZ 2.74Å; E457-K459 PolarHBondContact OE2-NZ 3.1Å; E457-W630 HydrophobicContact CB-CE3 4.12Å; E457-W630 HydrophobicContact CB-CZ3 4.28Å; E457-W630 HydrophobicContact CG-CE3 4.26Å; E457-W630 HydrophobicContact CG-CZ3 3.91Å
458	F	96.6	Very high	96.2	Very high	1 Å²	1	53.7 Å²	53.7	0%	0.004	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	104.4	175.8	176.1	-97.8	0	0	0	109.7	K460 W630 I631 H651 L654 E655 F658	F458-K460 HydrophobicContact CE1-CB 3.91Å; F458-K460 HydrophobicContact CE2-CB 3.98Å; F458-K460 HydrophobicContact CZ-CB 3.58Å; F458-K460 HydrophobicContact CZ-CD 4.23Å; F458-K460 HydrophobicContact CZ-CG 4.34Å; F458-W630 CarbonylContact O-C 3.56Å; F458-W630 WeakPolarHBondContact O-CA 3.38Å; F458-W630 VanDerWaalsContact O-CB 3.31Å; F458-W630 WeakPolarHBondContact O-CB 3.4Å; F458-I631 HydrophobicContact CB-CB 4.3Å; F458-I631 HydrophobicContact CD1-CB 4.46Å; F458-I631 HydrophobicContact CD1-CD1 4.29Å; F458-I631 PolarHBondContact N-O 2.96Å; F458-I631 PolarHBondContact O-N 2.58Å; F458-H651 AromaticContact CD2-NE2 3.89Å; F458-L654 HydrophobicContact CB-CD1 3.79Å; F458-L654 HydrophobicContact CD1-CB 4.12Å; F458-L654 HydrophobicContact CD1-CD1 4.09Å; F458-L654 HydrophobicContact CD2-CB 3.67Å; F458-L654 HydrophobicContact CD2-CD1 4.15Å; F458-L654 HydrophobicContact CE1-CB 3.98Å; F458-L654 HydrophobicContact CE2-CB 3.5Å; F458-L654 HydrophobicContact CG-CB 3.96Å; F458-L654 HydrophobicContact CG-CD1 3.75Å; F458-L654 HydrophobicContact CG-CG 4.49Å; F458-L654 HydrophobicContact CZ-CB 3.64Å; F458-E655 HydrophobicContact CE2-CG 3.82Å; F458-F658 HydrophobicContact CE1-CD1 4.1Å; F458-F658 AromaticContact CE1-CD2 3.63Å; F458-F658 HydrophobicContact CE1-CD2 3.63Å; F458-F658 HydrophobicContact CE1-CE1 4.11Å; F458-F658 AromaticContact CE1-CE2 3.61Å; F458-F658 HydrophobicContact CE1-CE2 3.61Å; F458-F658 AromaticContact CE1-CG 3.88Å; F458-F658 HydrophobicContact CE1-CG 3.88Å; F458-F658 AromaticContact CE1-CZ 3.86Å; F458-F658 HydrophobicContact CE1-CZ 3.86Å; F458-F658 HydrophobicContact CZ-CB 4.2Å; F458-F658 HydrophobicContact CZ-CD1 4.39Å; F458-F658 AromaticContact CZ-CD2 3.78Å; F458-F658 HydrophobicContact CZ-CD2 3.78Å; F458-F658 HydrophobicContact CZ-CE2 4.23Å; F458-F658 AromaticContact CZ-CG 3.85Å; F458-F658 HydrophobicContact CZ-CG 3.85Å
459	K	96	Very high	96.1	Very high	142 Å²	142	53.9 Å²	53.9	62%	0.617	27%	0.268	S	S	*	.			trans	-98.4	3.4	-170.1	-69.7	175	-177.6	171.6	0	115.3	E457 G461 W630	E457-K459 HydrophobicContact CB-CG 4.38Å; E457-K459 PolarHBondContact O-N 3.45Å; E457-K459 WeakPolarHBondContact OE2-CE 3.42Å; E457-K459 IonicContact OE2-NZ 2.74Å; E457-K459 PolarHBondContact OE2-NZ 3.1Å; K459-G461 VanDerWaalsContact C-N 3.29Å; K459-G461 PolarHBondContact O-N 2.87Å; K459-W630 HydrophobicContact CG-CB 4.33Å
460	K	94.9	Very high	96	Very high	84 Å²	84	58 Å²	58	37%	0.365	27%	0.274	S	S	.	.	S	Bend	trans	-70.1	-26.2	177.6	-173.5	179.7	174.3	-167	0	112.3	F458 F658 S659 E662	F458-K460 HydrophobicContact CE1-CB 3.91Å; F458-K460 HydrophobicContact CE2-CB 3.98Å; F458-K460 HydrophobicContact CZ-CB 3.58Å; F458-K460 HydrophobicContact CZ-CD 4.23Å; F458-K460 HydrophobicContact CZ-CG 4.34Å; K460-F658 HydrophobicContact CD-CB 4.15Å; K460-S659 PolarHBondContact NZ-OG 2.81Å; K460-S659 VanDerWaalsContact NZ-OG 3.15Å; K460-E662 WeakPolarHBondContact CE-OE1 3.16Å; K460-E662 WeakPolarHBondContact CE-OE2 3.32Å; K460-E662 IonicContact NZ-OE1 2.71Å; K460-E662 PolarHBondContact NZ-OE1 3.06Å; K460-E662 IonicContact NZ-OE2 3.96Å; K460-E662 PolarHBondContact NZ-OE2 3.1Å
461	G	94.9	Very high	96	Very high	6 Å²	6	53.7 Å²	53.7	6%	0.062	26%	0.256	C	S	.	.			trans	170.7	-178.1	172.1	0	0	0	0	0	112.8	K459 N629 W630	K459-G461 VanDerWaalsContact C-N 3.29Å; K459-G461 PolarHBondContact O-N 2.87Å; G461-N629 CarbonylContact C-O 3.5Å; G461-N629 VanDerWaalsContact C-O 3.3Å; G461-N629 VanDerWaalsContact CA-O 3.27Å; G461-N629 WeakPolarHBondContact CA-O 3.24Å; G461-W630 WeakPolarHBondContact O-CA 3.46Å
462	G	95.1	Very high	96	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.01	26%	0.264	C	S	.	.			trans	-159.4	-143.2	-175.9	0	0	0	0	0	114.3	E464 Q465 L466 D628	G462-E464 PolarHBondContact O-N 2.82Å; G462-E464 VanDerWaalsContact O-N 3.1Å; G462-Q465 PolarHBondContact O-N 2.8Å; G462-Q465 VanDerWaalsContact O-N 3.13Å; G462-L466 WeakPolarHBondContact O-CG 3.46Å; G462-L466 PolarHBondContact O-N 2.79Å; G462-D628 CarbonylContact C-O 3.49Å
463	K	94.8	Very high	95.9	Very high	50 Å²	50	53 Å²	53	22%	0.217	25%	0.254	C	S	.	.	H	α-helix	trans	-49.9	-36	-173.9	-166.7	-179.2	69.9	-143.8	0	113.4	K467 P473 V626 H627 D628	K463-K467 HydrophobicContact CG-CD 4.29Å; K463-K467 VanDerWaalsContact O-CB 3.29Å; K463-K467 WeakPolarHBondContact O-CB 3.25Å; K463-K467 VanDerWaalsContact O-CG 3.23Å; K463-K467 WeakPolarHBondContact O-CG 3.36Å; K463-K467 PolarHBondContact O-N 3.27Å; K463-K467 VanDerWaalsContact O-N 3.13Å; K463-P473 HydrophobicContact CB-CG 4.47Å; K463-P473 HydrophobicContact CG-CB 4.36Å; K463-P473 HydrophobicContact CG-CG 3.97Å; K463-V626 HydrophobicContact CB-CG1 4.08Å; K463-H627 VanDerWaalsContact CB-O 3.24Å; K463-H627 WeakPolarHBondContact CB-O 3.45Å; K463-H627 PolarHBondContact N-O 3.46Å; K463-D628 WeakPolarHBondContact CE-OD1 3.22Å; K463-D628 PolarHBondContact N-O 3.4Å; K463-D628 VanDerWaalsContact N-O 3.15Å; K463-D628 IonicContact NZ-OD1 3.38Å; K463-D628 PolarHBondContact NZ-OD1 3.05Å; K463-D628 IonicContact NZ-OD2 3.44Å; K463-D628 PolarHBondContact NZ-OD2 3.2Å
464	E	94.9	Very high	95.9	Very high	76 Å²	76	54.4 Å²	54.4	36%	0.355	26%	0.261	S	S	.	.	H	α-helix	trans	-67.7	-52.1	177.6	-81	-157.4	-150	0	0	113.2	G462 L466 K467 K468 D628	G462-E464 PolarHBondContact O-N 2.82Å; G462-E464 VanDerWaalsContact O-N 3.1Å; E464-L466 VanDerWaalsContact C-N 3.33Å; E464-L466 PolarHBondContact O-N 3.4Å; E464-K467 PolarHBondContact O-N 2.61Å; E464-K468 WeakPolarHBondContact O-CB 3.41Å; E464-K468 VanDerWaalsContact O-CG 3.24Å; E464-K468 WeakPolarHBondContact O-CG 3.02Å; E464-K468 PolarHBondContact O-N 2.88Å; E464-K468 WeakPolarHBondContact OE2-CE 3.45Å; E464-K468 IonicContact OE2-NZ 3.79Å; E464-K468 PolarHBondContact OE2-NZ 3.1Å; E464-D628 HydrophobicContact CG-CB 4.28Å; E464-D628 PolarHBondContact N-O 3.22Å
465	Q	95.4	Very high	95.9	Very high	49 Å²	49	54.3 Å²	54.3	23%	0.229	26%	0.26	C	S	.	.	H	α-helix	trans	-65.7	-38.4	-175.8	-175.8	172.4	-3.3	0	0	111.3	G462 S469 F658 V661 E662	G462-Q465 PolarHBondContact O-N 2.8Å; G462-Q465 VanDerWaalsContact O-N 3.13Å; Q465-S469 WeakPolarHBondContact O-CB 3.45Å; Q465-S469 PolarHBondContact O-N 2.75Å; Q465-S469 VanDerWaalsContact O-N 3.09Å; Q465-S469 PolarHBondContact O-OG 3.45Å; Q465-F658 HydrophobicContact CB-CE1 4.21Å; Q465-F658 HydrophobicContact CG-CD1 4.42Å; Q465-F658 HydrophobicContact CG-CE1 4.18Å; Q465-V661 HydrophobicContact CG-CG1 4.41Å; Q465-E662 PolarHBondContact NE2-OE1 3.29Å
466	L	97.2	Very high	96.1	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-67.5	-43.2	176.4	-61.8	176.4	0	0	0	111.5	G462 E464 S469 K470 L471 P473 I476 I631 F658	G462-L466 WeakPolarHBondContact O-CG 3.46Å; G462-L466 PolarHBondContact O-N 2.79Å; E464-L466 VanDerWaalsContact C-N 3.33Å; E464-L466 PolarHBondContact O-N 3.4Å; L466-S469 CarbonylContact O-C 3.48Å; L466-S469 WeakPolarHBondContact O-CA 3.12Å; L466-S469 WeakPolarHBondContact O-CB 3.38Å; L466-S469 PolarHBondContact O-N 3.34Å; L466-S469 VanDerWaalsContact O-N 3.11Å; L466-K470 PolarHBondContact O-N 2.7Å; L466-L471 CarbonylContact C-O 3.53Å; L466-L471 HydrophobicContact CD2-CD1 4.43Å; L466-L471 PolarHBondContact O-N 3.44Å; L466-P473 HydrophobicContact CB-CB 4.3Å; L466-P473 HydrophobicContact CB-CG 4.17Å; L466-P473 HydrophobicContact CD1-CB 4.05Å; L466-I476 HydrophobicContact CD1-CB 4.01Å; L466-I476 HydrophobicContact CD1-CG1 4.49Å; L466-I476 HydrophobicContact CD1-CG2 3.8Å; L466-I476 HydrophobicContact CD2-CG1 4.31Å; L466-I476 HydrophobicContact CD2-CG2 4.03Å; L466-I631 HydrophobicContact CD1-CD1 4.42Å; L466-F658 HydrophobicContact CD1-CE2 4.19Å; L466-F658 HydrophobicContact CD1-CZ 3.94Å; L466-F658 HydrophobicContact CD2-CE1 4.42Å; L466-F658 HydrophobicContact CD2-CE2 3.89Å; L466-F658 HydrophobicContact CD2-CZ 3.78Å; L466-F658 HydrophobicContact CG-CE2 4.28Å; L466-F658 HydrophobicContact CG-CZ 3.8Å
467	K	95.5	Very high	96.3	Very high	129 Å²	129	51.1 Å²	51.1	56%	0.561	24%	0.239	S	C	*	.	H	α-helix	trans	-64.9	-42	173.8	-77.4	-178.9	177.9	-172.5	0	113.3	K463 E464 S469 K470 P473	K463-K467 HydrophobicContact CG-CD 4.29Å; K463-K467 VanDerWaalsContact O-CB 3.29Å; K463-K467 WeakPolarHBondContact O-CB 3.25Å; K463-K467 VanDerWaalsContact O-CG 3.23Å; K463-K467 WeakPolarHBondContact O-CG 3.36Å; K463-K467 PolarHBondContact O-N 3.27Å; K463-K467 VanDerWaalsContact O-N 3.13Å; E464-K467 PolarHBondContact O-N 2.61Å; K467-S469 PolarHBondContact O-N 2.84Å; K467-K470 PolarHBondContact O-N 2.82Å; K467-P473 HydrophobicContact CG-CG 4.04Å
468	K	95.8	Very high	96.5	Very high	155 Å²	155	47.7 Å²	47.7	67%	0.674	22%	0.223	S	C	*	.	H	α-helix	trans	-56.6	-31.7	172.1	-72.6	163.9	-170.9	167.8	0	111.3	E464	E464-K468 WeakPolarHBondContact O-CB 3.41Å; E464-K468 VanDerWaalsContact O-CG 3.24Å; E464-K468 WeakPolarHBondContact O-CG 3.02Å; E464-K468 PolarHBondContact O-N 2.88Å; E464-K468 WeakPolarHBondContact OE2-CE 3.45Å; E464-K468 IonicContact OE2-NZ 3.79Å; E464-K468 PolarHBondContact OE2-NZ 3.1Å
469	S	94.9	Very high	96.6	Very high	29 Å²	29	47.6 Å²	47.6	20%	0.203	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	5.7	177	-51.5	0	0	0	0	114.7	Q465 L466 K467 L471 V661	Q465-S469 WeakPolarHBondContact O-CB 3.45Å; Q465-S469 PolarHBondContact O-N 2.75Å; Q465-S469 VanDerWaalsContact O-N 3.09Å; Q465-S469 PolarHBondContact O-OG 3.45Å; L466-S469 CarbonylContact O-C 3.48Å; L466-S469 WeakPolarHBondContact O-CA 3.12Å; L466-S469 WeakPolarHBondContact O-CB 3.38Å; L466-S469 PolarHBondContact O-N 3.34Å; L466-S469 VanDerWaalsContact O-N 3.11Å; K467-S469 PolarHBondContact O-N 2.84Å; S469-L471 PolarHBondContact O-N 2.83Å; S469-V661 WeakPolarHBondContact OG-CG1 3.46Å
470	K	96.6	Very high	96.8	Very high	182 Å²	182	40.9 Å²	40.9	79%	0.791	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.6	18.1	-176.6	-54.5	178.6	-177.9	174.6	0	115.4	L466 K467	L466-K470 PolarHBondContact O-N 2.7Å; K467-K470 PolarHBondContact O-N 2.82Å
471	L	97.8	Very high	97	Very high	7 Å²	7	36.9 Å²	36.9	4%	0.037	18%	0.176	C	C	.	.			trans	-93.2	140.9	176.8	-62.4	171.7	0	0	0	110.8	L466 S469 P473 I476 L542 V661	L466-L471 CarbonylContact C-O 3.53Å; L466-L471 HydrophobicContact CD2-CD1 4.43Å; L466-L471 PolarHBondContact O-N 3.44Å; S469-L471 PolarHBondContact O-N 2.83Å; L471-P473 WeakPolarHBondContact O-CD 3.22Å; L471-I476 HydrophobicContact CB-CD1 4.41Å; L471-I476 HydrophobicContact CB-CG1 4.02Å; L471-I476 HydrophobicContact CD1-CD1 4.02Å; L471-I476 HydrophobicContact CD1-CG1 4.34Å; L471-L542 HydrophobicContact CD1-CB 4.34Å; L471-L542 HydrophobicContact CD1-CD1 4.35Å; L471-L542 HydrophobicContact CD2-CB 4.03Å; L471-V661 HydrophobicContact CD1-CG2 3.68Å
472	S	97.8	Very high	97.2	Very high	34 Å²	34	37 Å²	37	24%	0.238	18%	0.175	C	C	.	.			trans	-67.3	118.3	169.6	178.5	0	0	0	0	109	D474 A475 I476 S546	S472-D474 PolarHBondContact O-N 2.81Å; S472-A475 PolarHBondContact O-N 2.97Å; S472-I476 WeakPolarHBondContact O-CG1 3.33Å; S472-I476 PolarHBondContact O-N 3.32Å; S472-S546 PolarHBondContact N-OG 3.1Å
473	P	97.4	Very high	97.3	Very high	19 Å²	19	37 Å²	37	12%	0.123	18%	0.175	C	C	.	.	H	α-helix	trans	-62.9	-33	-175.9	-22.3	34.1	0	0	0	112.9	K463 L466 K467 L471 I476 A477 V626	K463-P473 HydrophobicContact CB-CG 4.47Å; K463-P473 HydrophobicContact CG-CB 4.36Å; K463-P473 HydrophobicContact CG-CG 3.97Å; L466-P473 HydrophobicContact CB-CB 4.3Å; L466-P473 HydrophobicContact CB-CG 4.17Å; L466-P473 HydrophobicContact CD1-CB 4.05Å; K467-P473 HydrophobicContact CG-CG 4.04Å; L471-P473 WeakPolarHBondContact O-CD 3.22Å; P473-I476 PolarHBondContact O-N 2.82Å; P473-A477 PolarHBondContact O-N 3.39Å; P473-A477 VanDerWaalsContact O-N 3.17Å; P473-V626 HydrophobicContact CB-CB 4.38Å; P473-V626 HydrophobicContact CB-CG1 3.49Å; P473-V626 VanDerWaalsContact CB-CG1 3.49Å
474	D	97.5	Very high	97.5	Very high	34 Å²	34	34.6 Å²	34.6	18%	0.182	17%	0.165	C	C	.	.	H	α-helix	trans	-67.5	-48.6	176.6	178.9	65.2	0	0	0	112.4	S472 I476 A477 Q478 H549 Y624	S472-D474 PolarHBondContact O-N 2.81Å; D474-I476 PolarHBondContact O-N 2.84Å; D474-I476 VanDerWaalsContact O-N 3.16Å; D474-A477 WeakPolarHBondContact O-CB 3.43Å; D474-A477 PolarHBondContact O-N 3.32Å; D474-A477 VanDerWaalsContact O-N 3.11Å; D474-Q478 WeakPolarHBondContact O-CG 3.1Å; D474-Q478 PolarHBondContact O-N 3.33Å; D474-H549 IonicContact OD2-CD2 3.3Å; D474-H549 PolarHBondContact OD2-CD2 3.12Å; D474-H549 IonicContact OD2-NE2 3.45Å; D474-H549 PolarHBondContact OD2-NE2 3.31Å; D474-Y624 WeakPolarHBondContact OD1-CE2 3.48Å; D474-Y624 PolarHBondContact OD1-OH 2.87Å
475	A	98.4	Very high	97.7	Very high	2 Å²	2	31 Å²	31	2%	0.017	15%	0.148	C	C	.	.	H	α-helix	trans	-60.5	-28.4	176.4	0	0	0	0	0	113	S472 L479 H549	S472-A475 PolarHBondContact O-N 2.97Å; A475-L479 VanDerWaalsContact O-CB 3.27Å; A475-L479 WeakPolarHBondContact O-CB 3.5Å; A475-L479 PolarHBondContact O-N 3.34Å; A475-H549 HydrophobicContact CB-CB 3.55Å
476	I	98.4	Very high	97.9	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-77.8	-38.2	177.1	-68.3	-64.6	0	0	0	111.7	L466 L471 S472 P473 D474 L479 S480 L542 I657	L466-I476 HydrophobicContact CD1-CB 4.01Å; L466-I476 HydrophobicContact CD1-CG1 4.49Å; L466-I476 HydrophobicContact CD1-CG2 3.8Å; L466-I476 HydrophobicContact CD2-CG1 4.31Å; L466-I476 HydrophobicContact CD2-CG2 4.03Å; L471-I476 HydrophobicContact CB-CD1 4.41Å; L471-I476 HydrophobicContact CB-CG1 4.02Å; L471-I476 HydrophobicContact CD1-CD1 4.02Å; L471-I476 HydrophobicContact CD1-CG1 4.34Å; S472-I476 WeakPolarHBondContact O-CG1 3.33Å; S472-I476 PolarHBondContact O-N 3.32Å; P473-I476 PolarHBondContact O-N 2.82Å; D474-I476 PolarHBondContact O-N 2.84Å; D474-I476 VanDerWaalsContact O-N 3.16Å; I476-L479 HydrophobicContact CD1-CD2 4.41Å; I476-S480 WeakPolarHBondContact O-CB 3.41Å; I476-S480 PolarHBondContact O-N 3.01Å; I476-L542 HydrophobicContact CD1-CD2 4.08Å; I476-I657 HydrophobicContact CD1-CG2 4.23Å; I476-I657 HydrophobicContact CG2-CD1 4.36Å; I476-I657 HydrophobicContact CG2-CG2 3.91Å
477	A	98.3	Very high	97.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-59.9	-49.5	168.9	0	0	0	0	0	110.4	P473 D474 L479 S480 F481 Y624 V626	P473-A477 PolarHBondContact O-N 3.39Å; P473-A477 VanDerWaalsContact O-N 3.17Å; D474-A477 WeakPolarHBondContact O-CB 3.43Å; D474-A477 PolarHBondContact O-N 3.32Å; D474-A477 VanDerWaalsContact O-N 3.11Å; A477-L479 PolarHBondContact O-N 2.9Å; A477-S480 WeakPolarHBondContact O-CB 3.49Å; A477-S480 PolarHBondContact O-N 2.8Å; A477-S480 PolarHBondContact O-OG 2.79Å; A477-F481 HydrophobicContact CB-CE2 4.4Å; A477-F481 HydrophobicContact CB-CZ 4.2Å; A477-F481 WeakPolarHBondContact O-CD2 3.42Å; A477-F481 WeakPolarHBondContact O-CG 3.39Å; A477-F481 PolarHBondContact O-N 2.85Å; A477-Y624 HydrophobicContact CB-CD2 3.76Å; A477-Y624 HydrophobicContact CB-CE2 3.72Å; A477-V626 HydrophobicContact CB-CG2 4.03Å
478	Q	98.8	Very high	98.1	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-59.2	-45.3	177.4	-71.2	-69.8	-1.1	0	0	113.3	D474 S480 F481 Q482 E497 P514 T599 Y624	D474-Q478 WeakPolarHBondContact O-CG 3.1Å; D474-Q478 PolarHBondContact O-N 3.33Å; Q478-S480 VanDerWaalsContact C-N 3.3Å; Q478-S480 PolarHBondContact O-N 3.03Å; Q478-F481 PolarHBondContact O-N 3.36Å; Q478-Q482 PolarHBondContact O-N 2.6Å; Q478-E497 WeakPolarHBondContact CG-OE1 3.34Å; Q478-E497 VanDerWaalsContact NE2-CD 3.25Å; Q478-E497 PolarHBondContact NE2-OE1 2.96Å; Q478-P514 HydrophobicContact CB-CB 3.92Å; Q478-P514 HydrophobicContact CB-CG 4.46Å; Q478-P514 HydrophobicContact CG-CB 4.19Å; Q478-P514 HydrophobicContact CG-CG 4.19Å; Q478-T599 PolarHBondContact NE2-OG1 2.79Å; Q478-Y624 PolarHBondContact NE2-OH 3.43Å
479	L	98.9	Very high	98.2	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-59.9	-39.1	173	174.1	63.3	0	0	0	111.9	A475 I476 A477 F481 Q482 M483 T519 C522 L542 C545 I657	A475-L479 VanDerWaalsContact O-CB 3.27Å; A475-L479 WeakPolarHBondContact O-CB 3.5Å; A475-L479 PolarHBondContact O-N 3.34Å; I476-L479 HydrophobicContact CD1-CD2 4.41Å; A477-L479 PolarHBondContact O-N 2.9Å; L479-F481 VanDerWaalsContact C-N 3.25Å; L479-F481 PolarHBondContact O-N 2.83Å; L479-Q482 PolarHBondContact O-N 3.33Å; L479-M483 HydrophobicContact CD1-CG 4.12Å; L479-M483 HydrophobicContact CD1-SD 4.19Å; L479-M483 HydrophobicContact CD2-SD 4.39Å; L479-M483 HydrophobicContact CG-CG 4.35Å; L479-M483 HydrophobicContact CG-SD 3.94Å; L479-M483 WeakPolarHBondContact O-CB 3.46Å; L479-M483 WeakPolarHBondContact O-CG 3.41Å; L479-M483 PolarHBondContact O-N 3.25Å; L479-T519 HydrophobicContact CD1-CG2 4.06Å; L479-C522 HydrophobicContact CD1-CB 4.11Å; L479-L542 HydrophobicContact CD2-CD2 3.44Å; L479-L542 VanDerWaalsContact CD2-CD2 3.44Å; L479-C545 HydrophobicContact CD2-CB 4.37Å; L479-I657 HydrophobicContact CD2-CD1 4.24Å; L479-I657 HydrophobicContact CG-CD1 4.32Å
480	S	98.8	Very high	98.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.9	-31.8	177.7	81.6	0	0	0	0	112.6	I476 A477 Q478 A484	I476-S480 WeakPolarHBondContact O-CB 3.41Å; I476-S480 PolarHBondContact O-N 3.01Å; A477-S480 WeakPolarHBondContact O-CB 3.49Å; A477-S480 PolarHBondContact O-N 2.8Å; A477-S480 PolarHBondContact O-OG 2.79Å; Q478-S480 VanDerWaalsContact C-N 3.3Å; Q478-S480 PolarHBondContact O-N 3.03Å; S480-A484 WeakPolarHBondContact O-CB 3.38Å; S480-A484 PolarHBondContact O-N 2.87Å
481	F	98.9	Very high	98.4	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-71.5	-39.9	173.6	-49.8	-33.9	0	0	0	112.1	A477 Q478 L479 A484 F485 T599 V622 Y624 F646 V650	A477-F481 HydrophobicContact CB-CE2 4.4Å; A477-F481 HydrophobicContact CB-CZ 4.2Å; A477-F481 WeakPolarHBondContact O-CD2 3.42Å; A477-F481 WeakPolarHBondContact O-CG 3.39Å; A477-F481 PolarHBondContact O-N 2.85Å; Q478-F481 PolarHBondContact O-N 3.36Å; L479-F481 VanDerWaalsContact C-N 3.25Å; L479-F481 PolarHBondContact O-N 2.83Å; F481-A484 PolarHBondContact O-N 2.95Å; F481-F485 WeakPolarHBondContact O-CB 3.45Å; F481-F485 PolarHBondContact O-N 3.1Å; F481-T599 HydrophobicContact CD2-CG2 4.07Å; F481-T599 HydrophobicContact CE2-CG2 4.46Å; F481-V622 HydrophobicContact CD1-CG1 4.38Å; F481-V622 HydrophobicContact CD2-CG1 4.26Å; F481-V622 HydrophobicContact CE1-CG1 3.99Å; F481-V622 HydrophobicContact CE2-CG1 3.86Å; F481-V622 HydrophobicContact CZ-CG1 3.72Å; F481-Y624 AromaticContact CE2-CD1 3.75Å; F481-Y624 HydrophobicContact CE2-CD1 3.75Å; F481-Y624 HydrophobicContact CE2-CD2 4.45Å; F481-Y624 AromaticContact CE2-CE1 3.93Å; F481-Y624 HydrophobicContact CE2-CE1 3.93Å; F481-Y624 HydrophobicContact CE2-CG 4.03Å; F481-Y624 AromaticContact CZ-CD1 3.93Å; F481-Y624 HydrophobicContact CZ-CD1 3.93Å; F481-Y624 HydrophobicContact CZ-CD2 4.27Å; F481-Y624 AromaticContact CZ-CG 3.8Å; F481-Y624 HydrophobicContact CZ-CG 3.8Å; F481-F646 HydrophobicContact CB-CZ 4.36Å; F481-V650 HydrophobicContact CD1-CG1 4.28Å; F481-V650 HydrophobicContact CD1-CG2 3.98Å; F481-V650 HydrophobicContact CE1-CG1 4.2Å
482	Q	98.9	Very high	98.5	Very high	9 Å²	9	20.8 Å²	20.8	4%	0.042	11%	0.11	C	C	.	.	H	α-helix	trans	-63.4	-43.5	173.7	-58.4	-57.3	-65.2	0	0	111.3	Q478 L479 L486 T495	Q478-Q482 PolarHBondContact O-N 2.6Å; L479-Q482 PolarHBondContact O-N 3.33Å; Q482-L486 WeakPolarHBondContact O-CB 3.48Å; Q482-L486 PolarHBondContact O-N 2.94Å; Q482-T495 PolarHBondContact NE2-OG1 2.77Å
483	M	98.8	Very high	98.5	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-62.8	-44.9	174.7	-73.9	176.5	53.1	0	0	111.8	L479 L486 R487 S523 F526 V527 S653 I657	L479-M483 HydrophobicContact CD1-CG 4.12Å; L479-M483 HydrophobicContact CD1-SD 4.19Å; L479-M483 HydrophobicContact CD2-SD 4.39Å; L479-M483 HydrophobicContact CG-CG 4.35Å; L479-M483 HydrophobicContact CG-SD 3.94Å; L479-M483 WeakPolarHBondContact O-CB 3.46Å; L479-M483 WeakPolarHBondContact O-CG 3.41Å; L479-M483 PolarHBondContact O-N 3.25Å; M483-L486 PolarHBondContact O-N 2.84Å; M483-R487 WeakPolarHBondContact O-CG 3.21Å; M483-R487 PolarHBondContact O-N 2.99Å; M483-S523 VanDerWaalsContact CG-OG 3.28Å; M483-S523 WeakPolarHBondContact CG-OG 3.25Å; M483-S523 PolarHBondContact N-OG 3.37Å; M483-F526 HydrophobicContact CE-CB 3.48Å; M483-F526 VanDerWaalsContact CE-CB 3.48Å; M483-F526 HydrophobicContact CE-CD1 3.71Å; M483-F526 HydrophobicContact CE-CG 3.74Å; M483-F526 HydrophobicContact SD-CB 4.18Å; M483-F526 HydrophobicContact SD-CD1 4.49Å; M483-F526 HydrophobicContact SD-CG 4.22Å; M483-V527 HydrophobicContact CB-CG2 4.38Å; M483-S653 VanDerWaalsContact CB-OG 3.31Å; M483-S653 WeakPolarHBondContact CB-OG 3.34Å; M483-I657 HydrophobicContact CE-CD1 4.41Å; M483-I657 HydrophobicContact CE-CG1 4.19Å; M483-I657 HydrophobicContact SD-CD1 3.78Å; M483-I657 HydrophobicContact SD-CG1 3.95Å
484	A	98.9	Very high	98.6	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-62.7	-44.1	179.2	0	0	0	0	0	112.6	S480 F481 L486 R487 Q488 F646 C649 V650	S480-A484 WeakPolarHBondContact O-CB 3.38Å; S480-A484 PolarHBondContact O-N 2.87Å; F481-A484 PolarHBondContact O-N 2.95Å; A484-L486 VanDerWaalsContact C-N 3.34Å; A484-L486 PolarHBondContact O-N 3.15Å; A484-R487 WeakPolarHBondContact O-CB 3.4Å; A484-R487 PolarHBondContact O-N 2.81Å; A484-Q488 PolarHBondContact O-N 3.03Å; A484-F646 HydrophobicContact CB-CD2 4.17Å; A484-F646 HydrophobicContact CB-CE2 3.79Å; A484-F646 HydrophobicContact CB-CZ 4.2Å; A484-C649 HydrophobicContact CB-CB 3.81Å; A484-V650 HydrophobicContact CB-CB 4.21Å; A484-V650 HydrophobicContact CB-CG2 3.41Å; A484-V650 VanDerWaalsContact CB-CG2 3.41Å
485	F	98.8	Very high	98.7	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.009	9%	0.09	C	C	.	.	H	α-helix	trans	-66.2	-37.3	177.1	-159.1	-81.6	0	0	0	111.8	F481 Q488 Y489 Q491 V493 I596 L597 F620 F646	F481-F485 WeakPolarHBondContact O-CB 3.45Å; F481-F485 PolarHBondContact O-N 3.1Å; F485-Q488 PolarHBondContact O-N 2.9Å; F485-Y489 HydrophobicContact CD1-CD2 4.04Å; F485-Y489 AromaticContact CD2-CD2 3.74Å; F485-Y489 HydrophobicContact CD2-CD2 3.74Å; F485-Y489 HydrophobicContact CD2-CE2 4.11Å; F485-Y489 AromaticContact CE1-CD2 3.79Å; F485-Y489 HydrophobicContact CE1-CD2 3.79Å; F485-Y489 HydrophobicContact CE1-CG 4.04Å; F485-Y489 AromaticContact CE2-CD2 3.49Å; F485-Y489 HydrophobicContact CE2-CD2 3.49Å; F485-Y489 VanDerWaalsContact CE2-CD2 3.49Å; F485-Y489 AromaticContact CE2-CE2 3.81Å; F485-Y489 HydrophobicContact CE2-CE2 3.81Å; F485-Y489 HydrophobicContact CE2-CG 4.38Å; F485-Y489 HydrophobicContact CG-CD2 4.01Å; F485-Y489 AromaticContact CZ-CD2 3.51Å; F485-Y489 HydrophobicContact CZ-CD2 3.51Å; F485-Y489 HydrophobicContact CZ-CE2 4.2Å; F485-Y489 AromaticContact CZ-CG 3.96Å; F485-Y489 HydrophobicContact CZ-CG 3.96Å; F485-Y489 PolarHBondContact O-N 2.88Å; F485-Q491 HydrophobicContact CE1-CB 4.19Å; F485-V493 HydrophobicContact CD1-CG1 4.08Å; F485-V493 HydrophobicContact CD1-CG2 3.78Å; F485-V493 HydrophobicContact CD2-CG2 4.17Å; F485-V493 HydrophobicContact CE1-CB 4.17Å; F485-V493 HydrophobicContact CE1-CG1 3.35Å; F485-V493 HydrophobicContact CE1-CG2 3.69Å; F485-V493 HydrophobicContact CE2-CG2 4.07Å; F485-V493 HydrophobicContact CG-CG2 4.03Å; F485-V493 HydrophobicContact CZ-CB 4.42Å; F485-V493 HydrophobicContact CZ-CG1 3.77Å; F485-V493 HydrophobicContact CZ-CG2 3.84Å; F485-I596 HydrophobicContact CE2-CG2 3.57Å; F485-I596 HydrophobicContact CZ-CG2 3.71Å; F485-L597 HydrophobicContact CB-CD1 4.04Å; F485-L597 HydrophobicContact CD2-CD1 4.15Å; F485-L597 HydrophobicContact CD2-CD2 4.01Å; F485-L597 HydrophobicContact CD2-CG 4.09Å; F485-L597 HydrophobicContact CG-CD1 4.2Å; F485-F620 HydrophobicContact CD2-CD2 4.32Å; F485-F620 AromaticContact CD2-CE2 4Å; F485-F620 HydrophobicContact CD2-CE2 4Å; F485-F620 HydrophobicContact CE2-CD2 4.23Å; F485-F620 AromaticContact CE2-CE2 3.9Å; F485-F620 HydrophobicContact CE2-CE2 3.9Å; F485-F646 HydrophobicContact CB-CE2 4.17Å; F485-F646 HydrophobicContact CD2-CE2 4.24Å
486	L	98.8	Very high	98.7	Very high	5 Å²	5	19.1 Å²	19.1	3%	0.026	10%	0.096	C	C	.	.	H	α-helix	trans	-66.7	-35.1	173.4	-175.5	64.6	0	0	0	112.4	Q482 M483 A484 G490 S523 V527	Q482-L486 WeakPolarHBondContact O-CB 3.48Å; Q482-L486 PolarHBondContact O-N 2.94Å; M483-L486 PolarHBondContact O-N 2.84Å; A484-L486 VanDerWaalsContact C-N 3.34Å; A484-L486 PolarHBondContact O-N 3.15Å; L486-G490 VanDerWaalsContact O-CA 3.29Å; L486-G490 WeakPolarHBondContact O-CA 3.3Å; L486-G490 PolarHBondContact O-N 3.07Å; L486-G490 VanDerWaalsContact O-N 3.16Å; L486-S523 VanDerWaalsContact CD2-C 3.47Å; L486-V527 HydrophobicContact CD2-CB 4Å; L486-V527 HydrophobicContact CD2-CG1 4.31Å; L486-V527 HydrophobicContact CD2-CG2 4.22Å; L486-V527 HydrophobicContact CG-CB 4.36Å; L486-V527 HydrophobicContact CG-CG1 4.14Å
487	R	98.6	Very high	98.7	Very high	74 Å²	74	19.3 Å²	19.3	28%	0.279	10%	0.097	S	C	.	.	H	α-helix	trans	-65.7	-46	173.6	-76.3	-171.1	-178.4	-59.4	-2.4	111.8	M483 A484 F526 V527 C649 D656	M483-R487 WeakPolarHBondContact O-CG 3.21Å; M483-R487 PolarHBondContact O-N 2.99Å; A484-R487 WeakPolarHBondContact O-CB 3.4Å; A484-R487 PolarHBondContact O-N 2.81Å; R487-F526 PolarHBondContact NH2-O 3.23Å; R487-V527 HydrophobicContact CB-CG1 4.48Å; R487-V527 HydrophobicContact CG-CB 4.31Å; R487-V527 HydrophobicContact CG-CG1 3.66Å; R487-V527 HydrophobicContact CG-CG2 3.68Å; R487-C649 HydrophobicContact CB-CB 4.05Å; R487-D656 IonicContact CZ-OD2 3.83Å; R487-D656 IonicContact NE-OD2 3.99Å; R487-D656 IonicContact NH2-OD2 2.97Å; R487-D656 PolarHBondContact NH2-OD2 3.11Å
488	Q	98.6	Very high	98.6	Very high	27 Å²	27	21.5 Å²	21.5	13%	0.126	11%	0.112	C	C	.	.	H	α-helix	trans	-81.8	-45.2	-173.6	-170.2	177.8	20.2	0	0	113.8	A484 F485 N642 E645 F646	A484-Q488 PolarHBondContact O-N 3.03Å; F485-Q488 PolarHBondContact O-N 2.9Å; Q488-N642 PolarHBondContact NE2-O 3.34Å; Q488-E645 HydrophobicContact CG-CG 3.9Å; Q488-E645 VanDerWaalsContact NE2-CD 3.3Å; Q488-E645 PolarHBondContact NE2-OE2 3.48Å; Q488-F646 VanDerWaalsContact OE1-CA 3.26Å; Q488-F646 VanDerWaalsContact OE1-CB 3.23Å
489	Y	98.5	Very high	98.5	Very high	58 Å²	58	22.1 Å²	22.1	23%	0.227	12%	0.117	C	C	.	.	H	α-helix	trans	-114.6	-1.8	-172.7	-57.4	-76.7	0	0	0	114.1	F485 Q491 F620 R641 N642	F485-Y489 HydrophobicContact CD1-CD2 4.04Å; F485-Y489 AromaticContact CD2-CD2 3.74Å; F485-Y489 HydrophobicContact CD2-CD2 3.74Å; F485-Y489 HydrophobicContact CD2-CE2 4.11Å; F485-Y489 AromaticContact CE1-CD2 3.79Å; F485-Y489 HydrophobicContact CE1-CD2 3.79Å; F485-Y489 HydrophobicContact CE1-CG 4.04Å; F485-Y489 AromaticContact CE2-CD2 3.49Å; F485-Y489 HydrophobicContact CE2-CD2 3.49Å; F485-Y489 VanDerWaalsContact CE2-CD2 3.49Å; F485-Y489 AromaticContact CE2-CE2 3.81Å; F485-Y489 HydrophobicContact CE2-CE2 3.81Å; F485-Y489 HydrophobicContact CE2-CG 4.38Å; F485-Y489 HydrophobicContact CG-CD2 4.01Å; F485-Y489 AromaticContact CZ-CD2 3.51Å; F485-Y489 HydrophobicContact CZ-CD2 3.51Å; F485-Y489 HydrophobicContact CZ-CE2 4.2Å; F485-Y489 AromaticContact CZ-CG 3.96Å; F485-Y489 HydrophobicContact CZ-CG 3.96Å; F485-Y489 PolarHBondContact O-N 2.88Å; Y489-Q491 WeakPolarHBondContact O-CG 3.39Å; Y489-Q491 PolarHBondContact O-N 3.29Å; Y489-F620 AromaticContact CE2-CE2 3.86Å; Y489-F620 HydrophobicContact CE2-CE2 3.86Å; Y489-F620 HydrophobicContact CE2-CZ 4.03Å; Y489-R641 VanDerWaalsContact CD1-NH1 3.29Å; Y489-R641 VanDerWaalsContact CZ-CD 3.48Å; Y489-R641 WeakPolarHBondContact OH-CA 3.44Å; Y489-R641 WeakPolarHBondContact OH-CD 3.47Å; Y489-N642 PolarHBondContact OH-N 3.2Å; Y489-N642 VanDerWaalsContact OH-N 3.16Å
490	G	98.4	Very high	98.4	Very high	35 Å²	35	24.4 Å²	24.4	36%	0.361	13%	0.133	S	C	.	.	S	Bend	trans	67.4	16.2	176.6	0	0	0	0	0	115.3	L486 R528	L486-G490 VanDerWaalsContact O-CA 3.29Å; L486-G490 WeakPolarHBondContact O-CA 3.3Å; L486-G490 PolarHBondContact O-N 3.07Å; L486-G490 VanDerWaalsContact O-N 3.16Å; G490-R528 PolarHBondContact O-NH2 2.84Å
491	Q	97.8	Very high	98.3	Very high	108 Å²	108	24.5 Å²	24.5	51%	0.505	13%	0.133	S	C	.	.			trans	-127.9	169.6	-171	-73.2	174	-15.3	0	0	112.6	F485 Y489 V493	F485-Q491 HydrophobicContact CE1-CB 4.19Å; Y489-Q491 WeakPolarHBondContact O-CG 3.39Å; Y489-Q491 PolarHBondContact O-N 3.29Å; Q491-V493 HydrophobicContact CB-CG1 4.38Å
492	T	98.6	Very high	98.3	Very high	29 Å²	29	25 Å²	25	18%	0.178	14%	0.137	C	C	.	.			trans	-119.6	136.2	164.2	-54.6	0	0	0	0	107.3	P80 L81 A515	P80-T492 HydrophobicContact CB-CG2 4.44Å; L81-T492 HydrophobicContact CD2-CG2 4.2Å; T492-A515 HydrophobicContact CG2-CB 4.4Å
493	V	98.8	Very high	98.2	Very high	11 Å²	11	25.7 Å²	25.7	7%	0.067	15%	0.145	C	C	.	.			trans	-136	159.4	-166.4	-67.2	0	0	0	0	112.9	L81 F485 Q491 T495 I596 L597	L81-V493 VanDerWaalsContact CD2-C 3.47Å; F485-V493 HydrophobicContact CD1-CG1 4.08Å; F485-V493 HydrophobicContact CD1-CG2 3.78Å; F485-V493 HydrophobicContact CD2-CG2 4.17Å; F485-V493 HydrophobicContact CE1-CB 4.17Å; F485-V493 HydrophobicContact CE1-CG1 3.35Å; F485-V493 HydrophobicContact CE1-CG2 3.69Å; F485-V493 HydrophobicContact CE2-CG2 4.07Å; F485-V493 HydrophobicContact CG-CG2 4.03Å; F485-V493 HydrophobicContact CZ-CB 4.42Å; F485-V493 HydrophobicContact CZ-CG1 3.77Å; F485-V493 HydrophobicContact CZ-CG2 3.84Å; Q491-V493 HydrophobicContact CB-CG1 4.38Å; V493-T495 PolarHBondContact O-N 3.12Å; V493-T495 PolarHBondContact O-OG1 3.22Å; V493-I596 HydrophobicContact CB-CB 4.14Å; V493-I596 HydrophobicContact CB-CD1 4.12Å; V493-I596 HydrophobicContact CB-CG2 4.33Å; V493-I596 HydrophobicContact CG1-CD1 3.98Å; V493-I596 HydrophobicContact CG2-CB 4.06Å; V493-I596 HydrophobicContact CG2-CG2 3.93Å; V493-L597 HydrophobicContact CG2-CD1 3.87Å; V493-L597 HydrophobicContact CG2-CG 3.98Å
494	A	98.8	Very high	98.2	Very high	6 Å²	6	26.5 Å²	26.5	5%	0.05	15%	0.148	C	C	.	.			trans	-53.8	114.4	176.1	0	0	0	0	0	110.7	L81 A591 N595 I596 L597	L81-A494 HydrophobicContact CD1-CB 4.4Å; A494-A591 WeakPolarHBondContact CB-O 3Å; A494-N595 CarbonylContact O-C 3.32Å; A494-I596 PolarHBondContact O-N 3.18Å; A494-I596 VanDerWaalsContact O-N 3.16Å; A494-L597 PolarHBondContact O-N 2.75Å
495	T	98.9	Very high	98.2	Very high	1 Å²	1	28 Å²	28	1%	0.006	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	137.9	-178.4	-54.9	0	0	0	0	109.1	Q482 V493 R513 P514 L597 T599	Q482-T495 PolarHBondContact NE2-OG1 2.77Å; V493-T495 PolarHBondContact O-N 3.12Å; V493-T495 PolarHBondContact O-OG1 3.22Å; T495-R513 WeakPolarHBondContact O-CD 3.35Å; T495-R513 PolarHBondContact O-NH1 2.85Å; T495-P514 HydrophobicContact CG2-CB 4.18Å; T495-P514 HydrophobicContact CG2-CG 3.85Å; T495-L597 CarbonylContact C-O 3.18Å; T495-L597 VanDerWaalsContact CA-O 3.3Å; T495-L597 WeakPolarHBondContact CA-O 3.49Å; T495-L597 HydrophobicContact CG2-CB 3.83Å; T495-T599 HydrophobicContact CG2-CG2 4.35Å
496	Y	98.8	Very high	98.2	Very high	36 Å²	36	29.9 Å²	29.9	14%	0.141	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	135.3	176.3	177.7	-74.7	0	0	0	109.4	T511 R564 L597 T599	Y496-T511 HydrophobicContact CD2-CG2 3.57Å; Y496-T511 WeakPolarHBondContact CD2-OG1 3.41Å; Y496-T511 HydrophobicContact CE2-CG2 3.88Å; Y496-T511 WeakPolarHBondContact CE2-OG1 3.07Å; Y496-T511 HydrophobicContact CG-CG2 4.12Å; Y496-R564 PolarHBondContact OH-NH2 2.83Å; Y496-L597 PolarHBondContact N-O 3.17Å; Y496-T599 WeakPolarHBondContact O-CB 2.88Å; Y496-T599 PolarHBondContact O-N 2.82Å; Y496-T599 PolarHBondContact O-OG1 3.28Å
497	E	98.7	Very high	98.1	Very high	3 Å²	3	29.8 Å²	29.8	1%	0.014	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	138.5	165.9	172	-178.7	-120.6	0	0	109.4	Q478 T511 I512 P514 H549 T599 Y624	Q478-E497 WeakPolarHBondContact CG-OE1 3.34Å; Q478-E497 VanDerWaalsContact NE2-CD 3.25Å; Q478-E497 PolarHBondContact NE2-OE1 2.96Å; E497-T511 WeakPolarHBondContact O-CA 3.38Å; E497-I512 HydrophobicContact CB-CB 4.02Å; E497-I512 HydrophobicContact CG-CB 4.22Å; E497-I512 HydrophobicContact CG-CD1 4.21Å; E497-I512 PolarHBondContact N-O 3.21Å; E497-I512 VanDerWaalsContact N-O 3.1Å; E497-I512 PolarHBondContact O-N 3Å; E497-I512 WeakPolarHBondContact OE2-CB 3.38Å; E497-I512 VanDerWaalsContact OE2-CD1 3.23Å; E497-I512 WeakPolarHBondContact OE2-CD1 3.45Å; E497-I512 WeakPolarHBondContact OE2-CG2 3.44Å; E497-P514 HydrophobicContact CB-CG 3.84Å; E497-H549 IonicContact OE1-CE1 3.43Å; E497-H549 IonicContact OE1-NE2 3.54Å; E497-H549 IonicContact OE2-CE1 2.71Å; E497-H549 PolarHBondContact OE2-CE1 3.38Å; E497-H549 IonicContact OE2-NE2 3.58Å; E497-H549 PolarHBondContact OE2-NE2 3.28Å; E497-T599 WeakPolarHBondContact CA-OG1 3.37Å; E497-T599 WeakPolarHBondContact CB-OG1 3.38Å; E497-Y624 PolarHBondContact OE1-OH 2.9Å
498	S	95.9	Very high	98	Very high	46 Å²	46	26.3 Å²	26.3	32%	0.322	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	124.9	-177.5	-157.9	0	0	0	0	111.9	T509	S498-T509 WeakPolarHBondContact OG-CG2 3.44Å
499	C	96.7	Very high	97.9	Very high	14 Å²	14	25.5 Å²	25.5	10%	0.095	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	137	172.8	-163.9	0	0	0	0	110.8	T509 E510 I512 A556	C499-T509 CarbonylContact O-C 3.59Å; C499-T509 WeakPolarHBondContact O-CA 3.44Å; C499-T509 WeakPolarHBondContact O-CB 3.48Å; C499-E510 WeakPolarHBondContact CB-O 3.38Å; C499-E510 PolarHBondContact N-O 3.2Å; C499-E510 PolarHBondContact O-N 2.94Å; C499-I512 HydrophobicContact CB-CD1 3.7Å; C499-I512 HydrophobicContact CB-CG1 3.89Å; C499-A556 HydrophobicContact CB-CB 3.74Å
500	S	96.6	Very high	97.9	Very high	49 Å²	49	22.9 Å²	22.9	34%	0.343	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	133.3	177.9	-177.2	0	0	0	0	111.7	A502	S500-A502 VanDerWaalsContact OG-CB 3.28Å; S500-A502 WeakPolarHBondContact OG-CB 3.47Å; S500-A502 PolarHBondContact OG-N 3.46Å
501	T	98.1	Very high	98	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.012	12%	0.122	C	C	.	.			trans	-104.7	16.2	168.6	59.6	0	0	0	0	112	L62 A503 F504 G507 R508 E510 A556	L62-T501 HydrophobicContact CD1-CG2 4.21Å; T501-A503 PolarHBondContact O-N 2.86Å; T501-F504 WeakPolarHBondContact O-CD2 3.49Å; T501-F504 PolarHBondContact O-N 3.28Å; T501-G507 WeakPolarHBondContact O-CA 2.84Å; T501-R508 PolarHBondContact N-O 3.48Å; T501-R508 VanDerWaalsContact OG1-C 3.25Å; T501-R508 PolarHBondContact OG1-N 2.79Å; T501-R508 PolarHBondContact OG1-O 2.93Å; T501-E510 HydrophobicContact CG2-CB 3.72Å; T501-A556 WeakPolarHBondContact CG2-O 3.22Å
502	A	97.4	Very high	98	Very high	9 Å²	9	16.6 Å²	16.6	7%	0.074	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-13.1	-176.3	0	0	0	0	0	114.4	L222 D223 S500 F504	L222-A502 CarbonylContact C-O 3.55Å; L222-A502 VanDerWaalsContact CA-O 3.25Å; L222-A502 WeakPolarHBondContact CA-O 3.34Å; L222-A502 HydrophobicContact CB-CB 4.11Å; D223-A502 PolarHBondContact N-O 2.91Å; S500-A502 VanDerWaalsContact OG-CB 3.28Å; S500-A502 WeakPolarHBondContact OG-CB 3.47Å; S500-A502 PolarHBondContact OG-N 3.46Å; A502-F504 PolarHBondContact O-N 2.7Å; A502-F504 VanDerWaalsContact O-N 3.07Å
503	A	97.6	Very high	98	Very high	25 Å²	25	15.9 Å²	15.9	21%	0.207	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-8.8	170.3	0	0	0	0	0	114	P60 L222 T501	P60-A503 WeakPolarHBondContact CD-O 3.24Å; P60-A503 WeakPolarHBondContact CG-O 3.4Å; L222-A503 HydrophobicContact CD2-CB 3.93Å; T501-A503 PolarHBondContact O-N 2.86Å
504	F	98.6	Very high	98	Very high	16 Å²	16	15.3 Å²	15.3	7%	0.07	9%	0.09	C	C	.	.	S	Bend	trans	-112.5	156.1	176	-60	-82.9	0	0	0	112.7	P60 R61 L62 P63 T501 A502 H506 G507 A557 M558	P60-F504 HydrophobicContact CB-CD1 3.95Å; P60-F504 HydrophobicContact CB-CE1 4.27Å; P60-F504 HydrophobicContact CG-CD1 3.73Å; P60-F504 HydrophobicContact CG-CE1 4.12Å; P60-F504 CarbonylContact O-C 3.6Å; P60-F504 VanDerWaalsContact O-CA 3.25Å; P60-F504 WeakPolarHBondContact O-CA 3.17Å; P60-F504 WeakPolarHBondContact O-CB 3.22Å; R61-F504 VanDerWaalsContact O-CD1 3.3Å; R61-F504 WeakPolarHBondContact O-CD1 3.23Å; L62-F504 HydrophobicContact CB-CB 3.84Å; L62-F504 HydrophobicContact CB-CG 4.26Å; L62-F504 HydrophobicContact CD1-CB 3.88Å; L62-F504 HydrophobicContact CD1-CD2 3.51Å; L62-F504 HydrophobicContact CD1-CE2 4.2Å; L62-F504 HydrophobicContact CD1-CG 3.79Å; P63-F504 HydrophobicContact CG-CE1 4.47Å; P63-F504 HydrophobicContact CG-CZ 4.41Å; T501-F504 WeakPolarHBondContact O-CD2 3.49Å; T501-F504 PolarHBondContact O-N 3.28Å; A502-F504 PolarHBondContact O-N 2.7Å; A502-F504 VanDerWaalsContact O-N 3.07Å; F504-H506 PolarHBondContact O-N 2.81Å; F504-G507 PolarHBondContact O-N 2.75Å; F504-A557 WeakPolarHBondContact CE2-O 3.3Å; F504-M558 HydrophobicContact CZ-CE 4.08Å; F504-M558 HydrophobicContact CZ-SD 4.37Å
505	K	98.6	Very high	98	Very high	32 Å²	32	15.2 Å²	15.2	14%	0.139	9%	0.089	C	C	.	.	B	Isolated β-bridge	trans	-59.8	119.6	179	-173.7	69.5	-151.8	139.1	0	111.6	Q56 L59 P60 D223 G507	Q56-K505 PolarHBondContact O-NZ 2.72Å; L59-K505 HydrophobicContact CB-CB 4.01Å; L59-K505 HydrophobicContact CB-CD 4.2Å; L59-K505 HydrophobicContact CD1-CD 4.29Å; P60-K505 PolarHBondContact O-N 3.01Å; D223-K505 IonicContact OD2-NZ 2.83Å; D223-K505 PolarHBondContact OD2-NZ 2.78Å; K505-G507 PolarHBondContact O-N 2.83Å
506	H	98.6	Very high	98	Very high	42 Å²	42	15.6 Å²	15.6	19%	0.194	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.8	40	-168.5	-55.2	165.7	0	0	0	112.7	H118 T119 S120 D223 S225 F504	H118-H506 PolarHBondContact O-CE1 3.48Å; T119-H506 WeakPolarHBondContact CA-ND1 3.48Å; T119-H506 VanDerWaalsContact CB-ND1 3.35Å; T119-H506 WeakPolarHBondContact CB-ND1 3.28Å; T119-H506 PolarHBondContact OG1-ND1 3.38Å; S120-H506 WeakPolarHBondContact CB-O 3.46Å; S120-H506 PolarHBondContact OG-O 2.9Å; D223-H506 IonicContact OD1-CD2 2.76Å; D223-H506 IonicContact OD2-CD2 4Å; D223-H506 PolarHBondContact OD2-CD2 2.88Å; D223-H506 PolarHBondContact OD2-N 2.63Å; S225-H506 PolarHBondContact OG-CD2 2.97Å; F504-H506 PolarHBondContact O-N 2.81Å
507	G	97.6	Very high	98	Very high	3 Å²	3	17 Å²	17	3%	0.031	10%	0.104	C	C	.	.			trans	-56.1	154.2	166	0	0	0	0	0	111.4	T501 F504 K505	T501-G507 WeakPolarHBondContact O-CA 2.84Å; F504-G507 PolarHBondContact O-N 2.75Å; K505-G507 PolarHBondContact O-N 2.83Å
508	R	96.6	Very high	98	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.112	C	C	.	.			trans	-125.8	-136.3	174.8	-61.5	-59.9	-49.1	-112.2	5.8	108.4	I122 W126 F127 D386 T501	I122-R508 HydrophobicContact CG2-CB 4.33Å; I122-R508 HydrophobicContact CG2-CG 4.13Å; W126-R508 HydrophobicContact CB-CG 4.49Å; F127-R508 VanDerWaalsContact CD1-NH1 3.32Å; F127-R508 VanDerWaalsContact CE2-NH1 3.3Å; D386-R508 VanDerWaalsContact CG-NE 3.26Å; D386-R508 IonicContact OD1-CZ 2.67Å; D386-R508 VanDerWaalsContact OD1-CZ 3.31Å; D386-R508 IonicContact OD1-NE 2.79Å; D386-R508 PolarHBondContact OD1-NE 2.95Å; D386-R508 IonicContact OD1-NH2 2.64Å; D386-R508 PolarHBondContact OD1-NH2 3.29Å; D386-R508 VanDerWaalsContact OD2-CA 3.3Å; D386-R508 WeakPolarHBondContact OD2-CA 3.49Å; D386-R508 WeakPolarHBondContact OD2-CD 3.4Å; D386-R508 IonicContact OD2-CZ 3.58Å; D386-R508 IonicContact OD2-NE 2.95Å; D386-R508 PolarHBondContact OD2-NE 3.09Å; D386-R508 IonicContact OD2-NH2 3.77Å; T501-R508 PolarHBondContact N-O 3.48Å; T501-R508 VanDerWaalsContact OG1-C 3.25Å; T501-R508 PolarHBondContact OG1-N 2.79Å; T501-R508 PolarHBondContact OG1-O 2.93Å
509	T	97.4	Very high	98.2	Very high	11 Å²	11	16.9 Å²	16.9	7%	0.067	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	159	164.4	55.4	0	0	0	0	112.2	D386 S498 C499 R564	D386-T509 HydrophobicContact CB-CG2 4.03Å; S498-T509 WeakPolarHBondContact OG-CG2 3.44Å; C499-T509 CarbonylContact O-C 3.59Å; C499-T509 WeakPolarHBondContact O-CA 3.44Å; C499-T509 WeakPolarHBondContact O-CB 3.48Å; T509-R564 VanDerWaalsContact O-CG 3.29Å; T509-R564 WeakPolarHBondContact O-CG 3.46Å; T509-R564 PolarHBondContact O-NE 3.34Å; T509-R564 PolarHBondContact OG1-NH2 3.4Å
510	E	98.5	Very high	98.2	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.009	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	158.3	160.1	178.5	59	-75.6	0	0	108.2	C499 T501 A556 G561 R564	C499-E510 WeakPolarHBondContact CB-O 3.38Å; C499-E510 PolarHBondContact N-O 3.2Å; C499-E510 PolarHBondContact O-N 2.94Å; T501-E510 HydrophobicContact CG2-CB 3.72Å; E510-A556 HydrophobicContact CB-CB 4.33Å; E510-A556 HydrophobicContact CG-CB 4Å; E510-G561 WeakPolarHBondContact OE2-CA 3.13Å; E510-R564 HydrophobicContact CB-CG 4.44Å; E510-R564 WeakPolarHBondContact OE1-CG 3.33Å; E510-R564 PolarHBondContact OE1-N 2.99Å; E510-R564 IonicContact OE1-NH1 2.81Å; E510-R564 PolarHBondContact OE1-NH1 3.33Å
511	T	98.7	Very high	98.3	Very high	7 Å²	7	24.3 Å²	24.3	4%	0.043	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	128.5	-178.6	-63.2	0	0	0	0	111.5	Y496 E497 R513 D563 R564	Y496-T511 HydrophobicContact CD2-CG2 3.57Å; Y496-T511 WeakPolarHBondContact CD2-OG1 3.41Å; Y496-T511 HydrophobicContact CE2-CG2 3.88Å; Y496-T511 WeakPolarHBondContact CE2-OG1 3.07Å; Y496-T511 HydrophobicContact CG-CG2 4.12Å; E497-T511 WeakPolarHBondContact O-CA 3.38Å; T511-R513 HydrophobicContact CG2-CG 4.26Å; T511-D563 WeakPolarHBondContact CB-OD2 3.46Å; T511-D563 WeakPolarHBondContact CG2-OD2 3.39Å; T511-R564 PolarHBondContact OG1-NH1 3.41Å
512	I	98.9	Very high	98.4	Very high	5 Å²	5	24.2 Å²	24.2	3%	0.026	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	146.6	158.4	-61.3	158.3	0	0	0	107.6	E497 C499 P514 L552 T553 A556	E497-I512 HydrophobicContact CB-CB 4.02Å; E497-I512 HydrophobicContact CG-CB 4.22Å; E497-I512 HydrophobicContact CG-CD1 4.21Å; E497-I512 PolarHBondContact N-O 3.21Å; E497-I512 VanDerWaalsContact N-O 3.1Å; E497-I512 PolarHBondContact O-N 3Å; E497-I512 WeakPolarHBondContact OE2-CB 3.38Å; E497-I512 VanDerWaalsContact OE2-CD1 3.23Å; E497-I512 WeakPolarHBondContact OE2-CD1 3.45Å; E497-I512 WeakPolarHBondContact OE2-CG2 3.44Å; C499-I512 HydrophobicContact CB-CD1 3.7Å; C499-I512 HydrophobicContact CB-CG1 3.89Å; I512-P514 HydrophobicContact CG2-CG 4.44Å; I512-P514 WeakPolarHBondContact O-CD 3.24Å; I512-L552 HydrophobicContact CG2-CB 3.95Å; I512-T553 HydrophobicContact CD1-CG2 3.92Å; I512-A556 HydrophobicContact CD1-CB 4.43Å; I512-A556 HydrophobicContact CG1-CB 3.57Å
513	R	98.8	Very high	98.4	Very high	13 Å²	13	23.9 Å²	23.9	5%	0.049	11%	0.114	C	C	.	.			trans	-116.5	90.2	178.5	-65.4	-58.2	-168.7	156.8	6.9	110.1	A77 T495 T511 A515 T516 L552 F562 D563 I592 N593 N595	A77-R513 HydrophobicContact CB-CB 4.2Å; A77-R513 HydrophobicContact CB-CG 4.2Å; T495-R513 WeakPolarHBondContact O-CD 3.35Å; T495-R513 PolarHBondContact O-NH1 2.85Å; T511-R513 HydrophobicContact CG2-CG 4.26Å; R513-A515 VanDerWaalsContact C-N 3.3Å; R513-A515 PolarHBondContact O-N 3.32Å; R513-T516 WeakPolarHBondContact O-CG2 3.42Å; R513-L552 WeakPolarHBondContact O-CD1 3.13Å; R513-F562 HydrophobicContact CG-CE1 3.75Å; R513-F562 HydrophobicContact CG-CZ 3.83Å; R513-D563 IonicContact CZ-OD1 3.42Å; R513-D563 IonicContact CZ-OD2 3.69Å; R513-D563 IonicContact NE-OD1 2.76Å; R513-D563 IonicContact NE-OD2 2.71Å; R513-D563 PolarHBondContact NE-OD2 2.96Å; R513-D563 IonicContact NH2-OD1 2.74Å; R513-D563 PolarHBondContact NH2-OD1 2.88Å; R513-D563 IonicContact NH2-OD2 3.69Å; R513-D563 PolarHBondContact NH2-OD2 2.91Å; R513-I592 VanDerWaalsContact CZ-O 3.27Å; R513-I592 PolarHBondContact NH1-O 3.04Å; R513-I592 PolarHBondContact NH2-O 3.25Å; R513-N593 PolarHBondContact NH2-ND2 3.07Å; R513-N595 PolarHBondContact NH1-OD1 2.9Å
514	P	98.8	Very high	98.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	11%	0.112	C	C	.	.			trans	-73.7	-17.1	-176.3	-14.3	28.3	0	0	0	114.4	Q478 T495 E497 I512 T516 T519	Q478-P514 HydrophobicContact CB-CB 3.92Å; Q478-P514 HydrophobicContact CB-CG 4.46Å; Q478-P514 HydrophobicContact CG-CB 4.19Å; Q478-P514 HydrophobicContact CG-CG 4.19Å; T495-P514 HydrophobicContact CG2-CB 4.18Å; T495-P514 HydrophobicContact CG2-CG 3.85Å; E497-P514 HydrophobicContact CB-CG 3.84Å; I512-P514 HydrophobicContact CG2-CG 4.44Å; I512-P514 WeakPolarHBondContact O-CD 3.24Å; P514-T516 PolarHBondContact O-N 3.44Å; P514-T519 WeakPolarHBondContact O-CG2 3.39Å; P514-T519 PolarHBondContact O-OG1 3.26Å
515	A	98.8	Very high	98.5	Very high	4 Å²	4	24 Å²	24	3%	0.033	11%	0.11	C	C	.	.			trans	-72.2	105.9	165.5	0	0	0	0	0	109	L81 T492 R513	L81-A515 HydrophobicContact CD2-CB 4.18Å; T492-A515 HydrophobicContact CG2-CB 4.4Å; R513-A515 VanDerWaalsContact C-N 3.3Å; R513-A515 PolarHBondContact O-N 3.32Å
516	T	98.9	Very high	98.5	Very high	9 Å²	9	22.5 Å²	22.5	6%	0.055	10%	0.104	C	C	.	.			trans	-138	164.2	-172.8	69.5	0	0	0	0	110.2	R513 P514 H518 T519 R520 Y548 L552	R513-T516 WeakPolarHBondContact O-CG2 3.42Å; P514-T516 PolarHBondContact O-N 3.44Å; T516-H518 PolarHBondContact O-N 3.36Å; T516-H518 PolarHBondContact OG1-N 2.71Å; T516-T519 PolarHBondContact N-OG1 3.18Å; T516-T519 PolarHBondContact O-N 2.78Å; T516-T519 PolarHBondContact O-OG1 2.85Å; T516-T519 PolarHBondContact OG1-N 3.12Å; T516-T519 PolarHBondContact OG1-OG1 3.33Å; T516-R520 VanDerWaalsContact O-CB 3.31Å; T516-R520 WeakPolarHBondContact O-CB 3.43Å; T516-R520 PolarHBondContact O-N 3.39Å; T516-Y548 HydrophobicContact CG2-CD1 3.8Å; T516-Y548 HydrophobicContact CG2-CE1 3.71Å; T516-L552 HydrophobicContact CG2-CD1 3.86Å
517	V	98.8	Very high	98.4	Very high	66 Å²	66	21.8 Å²	21.8	40%	0.4	10%	0.102	S	C	.	.	H	α-helix	trans	-60.2	-29.9	174	-62.9	0	0	0	0	112.7	K79 R521	K79-V517 HydrophobicContact CB-CG1 4.1Å; K79-V517 HydrophobicContact CG-CG1 4.1Å; V517-R521 WeakPolarHBondContact O-CB 3.48Å; V517-R521 PolarHBondContact O-N 3.01Å; V517-R521 VanDerWaalsContact O-N 3.1Å
518	H	98.8	Very high	98.4	Very high	41 Å²	41	27.9 Å²	27.9	19%	0.19	12%	0.124	C	C	.	.	H	α-helix	trans	-73.6	-49.7	176.5	-62.5	-74.5	0	0	0	111.7	T516 R520 R521 C522 E544 C545 Y548	T516-H518 PolarHBondContact O-N 3.36Å; T516-H518 PolarHBondContact OG1-N 2.71Å; H518-R520 PolarHBondContact O-N 2.87Å; H518-R521 PolarHBondContact O-N 3.43Å; H518-C522 WeakPolarHBondContact O-CB 3.42Å; H518-C522 PolarHBondContact O-N 2.71Å; H518-E544 IonicContact CE1-OE1 3.67Å; H518-E544 IonicContact ND1-OE1 3.9Å; H518-C545 VanDerWaalsContact C-SG 3.53Å; H518-C545 PolarHBondContact O-SG 3.28Å; H518-Y548 AromaticContact CD2-CD1 3.82Å; H518-Y548 AromaticContact CD2-CD2 3.95Å; H518-Y548 AromaticContact CD2-CG 3.55Å; H518-Y548 AromaticContact NE2-CD2 3.98Å
519	T	98.9	Very high	98.3	Very high	5 Å²	5	31 Å²	31	3%	0.031	14%	0.139	C	C	.	.	H	α-helix	trans	-65.5	-39.1	178.6	49	0	0	0	0	111.3	L479 P514 T516 C522 S523 C545	L479-T519 HydrophobicContact CD1-CG2 4.06Å; P514-T519 WeakPolarHBondContact O-CG2 3.39Å; P514-T519 PolarHBondContact O-OG1 3.26Å; T516-T519 PolarHBondContact N-OG1 3.18Å; T516-T519 PolarHBondContact O-N 2.78Å; T516-T519 PolarHBondContact O-OG1 2.85Å; T516-T519 PolarHBondContact OG1-N 3.12Å; T516-T519 PolarHBondContact OG1-OG1 3.33Å; T519-C522 PolarHBondContact O-N 2.91Å; T519-S523 WeakPolarHBondContact O-CB 3.27Å; T519-S523 PolarHBondContact O-N 2.7Å; T519-S523 PolarHBondContact O-OG 3.05Å; T519-C545 HydrophobicContact CG2-CB 4.06Å
520	R	98.6	Very high	97.9	Very high	103 Å²	103	32.3 Å²	32.3	39%	0.389	15%	0.148	S	C	.	.	H	α-helix	trans	-58.3	-49.8	170.8	-177.2	178.3	174	-154.7	-0.5	112.3	P80 T516 H518 S523 H524	P80-R520 HydrophobicContact CB-CB 4.21Å; T516-R520 VanDerWaalsContact O-CB 3.31Å; T516-R520 WeakPolarHBondContact O-CB 3.43Å; T516-R520 PolarHBondContact O-N 3.39Å; H518-R520 PolarHBondContact O-N 2.87Å; R520-S523 PolarHBondContact O-N 3.38Å; R520-H524 PolarHBondContact O-CD2 3.38Å; R520-H524 PolarHBondContact O-N 3.32Å
521	R	98.6	Very high	97.5	Very high	116 Å²	116	38 Å²	38	44%	0.438	19%	0.187	S	C	.	.	H	α-helix	trans	-60.5	-47.4	178.3	-179.7	173.9	65.6	-161.3	-2.7	111.6	V517 H518 H524 A525 M541 E544	V517-R521 WeakPolarHBondContact O-CB 3.48Å; V517-R521 PolarHBondContact O-N 3.01Å; V517-R521 VanDerWaalsContact O-N 3.1Å; H518-R521 PolarHBondContact O-N 3.43Å; R521-H524 PolarHBondContact O-N 2.91Å; R521-A525 PolarHBondContact O-N 3.32Å; R521-M541 HydrophobicContact CG-SD 4.11Å; R521-E544 IonicContact CZ-OE1 2.63Å; R521-E544 IonicContact CZ-OE2 2.63Å; R521-E544 IonicContact NH2-OE1 2.67Å; R521-E544 PolarHBondContact NH2-OE1 3.22Å; R521-E544 IonicContact NH2-OE2 3.93Å; R521-E544 PolarHBondContact NH2-OE2 3.19Å
522	C	98.8	Very high	97.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.1	-44.3	179	-168.5	0	0	0	0	111.3	L479 H518 T519 H524 A525 F526 M541 C545	L479-C522 HydrophobicContact CD1-CB 4.11Å; H518-C522 WeakPolarHBondContact O-CB 3.42Å; H518-C522 PolarHBondContact O-N 2.71Å; T519-C522 PolarHBondContact O-N 2.91Å; C522-H524 PolarHBondContact O-N 2.86Å; C522-A525 PolarHBondContact O-N 3.37Å; C522-F526 WeakPolarHBondContact O-CD2 3.3Å; C522-F526 PolarHBondContact O-N 3.03Å; C522-M541 HydrophobicContact CB-CB 4.01Å; C522-C545 VanDerWaalsContact CB-SG 3.55Å
523	S	98.8	Very high	97.2	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.014	23%	0.227	C	C	.	.	H	α-helix	trans	-60.8	-42.7	174.9	-58.4	0	0	0	0	112.2	M483 L486 T519 R520 A525 F526 V527	M483-S523 VanDerWaalsContact CG-OG 3.28Å; M483-S523 WeakPolarHBondContact CG-OG 3.25Å; M483-S523 PolarHBondContact N-OG 3.37Å; L486-S523 VanDerWaalsContact CD2-C 3.47Å; T519-S523 WeakPolarHBondContact O-CB 3.27Å; T519-S523 PolarHBondContact O-N 2.7Å; T519-S523 PolarHBondContact O-OG 3.05Å; R520-S523 PolarHBondContact O-N 3.38Å; S523-A525 PolarHBondContact O-N 3.02Å; S523-F526 PolarHBondContact O-N 3.1Å; S523-V527 WeakPolarHBondContact O-CB 3.36Å; S523-V527 WeakPolarHBondContact O-CG2 3.45Å; S523-V527 PolarHBondContact O-N 3.48Å
524	H	98.4	Very high	97.1	Very high	39 Å²	39	48.9 Å²	48.9	18%	0.181	24%	0.24	C	C	.	.	H	α-helix	trans	-59.4	-45.7	174.4	-89.9	-115.2	0	0	0	112.5	R520 R521 C522 F526 V527 R528 E529	R520-H524 PolarHBondContact O-CD2 3.38Å; R520-H524 PolarHBondContact O-N 3.32Å; R521-H524 PolarHBondContact O-N 2.91Å; C522-H524 PolarHBondContact O-N 2.86Å; H524-F526 PolarHBondContact O-N 3.33Å; H524-V527 PolarHBondContact O-N 2.81Å; H524-R528 PolarHBondContact O-N 2.89Å; H524-E529 PolarHBondContact O-N 2.98Å
525	A	98.3	Very high	97	Very high	3 Å²	3	49.8 Å²	49.8	3%	0.025	25%	0.246	C	C	.	.	H	α-helix	trans	-59.4	-45.4	178	0	0	0	0	0	112.7	R521 C522 S523 E529 P530 L538 M541	R521-A525 PolarHBondContact O-N 3.32Å; C522-A525 PolarHBondContact O-N 3.37Å; S523-A525 PolarHBondContact O-N 3.02Å; A525-E529 CarbonylContact O-C 3.59Å; A525-P530 VanDerWaalsContact O-CA 3.32Å; A525-P530 WeakPolarHBondContact O-CA 3.47Å; A525-P530 VanDerWaalsContact O-N 3.14Å; A525-L538 HydrophobicContact CB-CD2 3.79Å; A525-M541 HydrophobicContact CB-CE 3.93Å; A525-M541 HydrophobicContact CB-SD 3.69Å
526	F	98.2	Very high	96.9	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.009	27%	0.273	C	S	.	.	H	α-helix	trans	-76.7	-27.9	179.1	-84.5	-103.8	0	0	0	114.5	M483 R487 C522 S523 H524 L538 L542 D656 I657 V660 L666	M483-F526 HydrophobicContact CE-CB 3.48Å; M483-F526 VanDerWaalsContact CE-CB 3.48Å; M483-F526 HydrophobicContact CE-CD1 3.71Å; M483-F526 HydrophobicContact CE-CG 3.74Å; M483-F526 HydrophobicContact SD-CB 4.18Å; M483-F526 HydrophobicContact SD-CD1 4.49Å; M483-F526 HydrophobicContact SD-CG 4.22Å; R487-F526 PolarHBondContact NH2-O 3.23Å; C522-F526 WeakPolarHBondContact O-CD2 3.3Å; C522-F526 PolarHBondContact O-N 3.03Å; S523-F526 PolarHBondContact O-N 3.1Å; H524-F526 PolarHBondContact O-N 3.33Å; F526-L538 HydrophobicContact CD2-CD2 3.8Å; F526-L538 HydrophobicContact CE2-CB 3.91Å; F526-L538 HydrophobicContact CE2-CD2 3.78Å; F526-L538 HydrophobicContact CE2-CG 4.33Å; F526-L538 HydrophobicContact CZ-CB 4.03Å; F526-L538 HydrophobicContact CZ-CD2 4.47Å; F526-L542 HydrophobicContact CE2-CD2 4.06Å; F526-L542 HydrophobicContact CE2-CG 4.25Å; F526-L542 HydrophobicContact CZ-CD1 4.14Å; F526-L542 HydrophobicContact CZ-CD2 3.97Å; F526-L542 HydrophobicContact CZ-CG 4.08Å; F526-D656 HydrophobicContact CD1-CB 3.94Å; F526-D656 HydrophobicContact CE1-CB 4.29Å; F526-I657 HydrophobicContact CE1-CG1 4.25Å; F526-V660 HydrophobicContact CE1-CB 4.15Å; F526-V660 HydrophobicContact CE1-CG2 3.68Å; F526-V660 HydrophobicContact CZ-CB 4.04Å; F526-V660 HydrophobicContact CZ-CG1 4.06Å; F526-V660 HydrophobicContact CZ-CG2 3.84Å; F526-L666 HydrophobicContact CB-CD1 4.45Å; F526-L666 HydrophobicContact CD1-CD1 3.67Å; F526-L666 HydrophobicContact CD1-CD2 4.18Å; F526-L666 HydrophobicContact CE1-CD1 4.17Å; F526-L666 HydrophobicContact CE1-CD2 4.2Å; F526-L666 HydrophobicContact CG-CD1 4.13Å
527	V	97.7	Very high	96.9	Very high	27 Å²	27	59.8 Å²	59.8	16%	0.164	29%	0.291	C	S	.	.	H	α-helix	trans	-101.2	-39.5	-170.2	175.8	0	0	0	0	113.2	M483 L486 R487 S523 H524	M483-V527 HydrophobicContact CB-CG2 4.38Å; L486-V527 HydrophobicContact CD2-CB 4Å; L486-V527 HydrophobicContact CD2-CG1 4.31Å; L486-V527 HydrophobicContact CD2-CG2 4.22Å; L486-V527 HydrophobicContact CG-CB 4.36Å; L486-V527 HydrophobicContact CG-CG1 4.14Å; R487-V527 HydrophobicContact CB-CG1 4.48Å; R487-V527 HydrophobicContact CG-CB 4.31Å; R487-V527 HydrophobicContact CG-CG1 3.66Å; R487-V527 HydrophobicContact CG-CG2 3.68Å; S523-V527 WeakPolarHBondContact O-CB 3.36Å; S523-V527 WeakPolarHBondContact O-CG2 3.45Å; S523-V527 PolarHBondContact O-N 3.48Å; H524-V527 PolarHBondContact O-N 2.81Å
528	R	96.3	Very high	96.8	Very high	130 Å²	130	56.7 Å²	56.7	49%	0.491	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-26.4	-173.1	-62.9	-170.8	-179.3	-170	2.8	113.8	G490 H524	G490-R528 PolarHBondContact O-NH2 2.84Å; H524-R528 PolarHBondContact O-N 2.89Å
529	E	94.8	Very high	96.8	Very high	65 Å²	65	58.6 Å²	58.6	30%	0.304	28%	0.278	S	S	.	.			trans	-129.6	34.2	-169.5	-59.5	-178.9	-115.7	0	0	113.9	H524 A525 C531 K532	H524-E529 PolarHBondContact O-N 2.98Å; A525-E529 CarbonylContact O-C 3.59Å; E529-C531 VanDerWaalsContact C-N 3.29Å; E529-C531 PolarHBondContact O-N 3.4Å; E529-K532 HydrophobicContact CB-CB 4.39Å; E529-K532 HydrophobicContact CB-CD 4.05Å; E529-K532 HydrophobicContact CB-CG 4.21Å; E529-K532 HydrophobicContact CG-CD 4.27Å; E529-K532 WeakPolarHBondContact O-CB 3.48Å; E529-K532 PolarHBondContact O-N 3.1Å; E529-K532 WeakPolarHBondContact OE2-CD 3.16Å; E529-K532 WeakPolarHBondContact OE2-CE 3.42Å; E529-K532 IonicContact OE2-NZ 2.67Å; E529-K532 PolarHBondContact OE2-NZ 2.79Å
530	P	89.3	Confident	96.8	Very high	39 Å²	39	60.8 Å²	60.8	25%	0.253	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-62.1	-33.5	-169	26.9	-36.1	0	0	0	113.4	A525 K532 L666	A525-P530 VanDerWaalsContact O-CA 3.32Å; A525-P530 WeakPolarHBondContact O-CA 3.47Å; A525-P530 VanDerWaalsContact O-N 3.14Å; P530-K532 VanDerWaalsContact C-N 3.26Å; P530-K532 PolarHBondContact O-N 2.78Å; P530-L666 HydrophobicContact CB-CB 4.06Å; P530-L666 HydrophobicContact CB-CD1 3.79Å
531	C	90.7	Very high	96.8	Very high	123 Å²	123	56.9 Å²	56.9	83%	0.831	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-78	-4.5	178.7	-48.3	0	0	0	0	114.1	E529	E529-C531 VanDerWaalsContact C-N 3.29Å; E529-C531 PolarHBondContact O-N 3.4Å
532	K	94.6	Very high	96.8	Very high	147 Å²	147	51.4 Å²	51.4	64%	0.639	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-93.1	-9.4	178.8	-59.7	-166.3	-168.1	173.3	0	113.8	E529 P530	E529-K532 HydrophobicContact CB-CB 4.39Å; E529-K532 HydrophobicContact CB-CD 4.05Å; E529-K532 HydrophobicContact CB-CG 4.21Å; E529-K532 HydrophobicContact CG-CD 4.27Å; E529-K532 WeakPolarHBondContact O-CB 3.48Å; E529-K532 PolarHBondContact O-N 3.1Å; E529-K532 WeakPolarHBondContact OE2-CD 3.16Å; E529-K532 WeakPolarHBondContact OE2-CE 3.42Å; E529-K532 IonicContact OE2-NZ 2.67Å; E529-K532 PolarHBondContact OE2-NZ 2.79Å; P530-K532 VanDerWaalsContact C-N 3.26Å; P530-K532 PolarHBondContact O-N 2.78Å
533	H	96.1	Very high	96.8	Very high	59 Å²	59	54.7 Å²	54.7	27%	0.273	28%	0.28	S	S	.	.	S	Bend	trans	-122.6	141	-169.8	-70.3	-57.8	0	0	0	113	E537 L538	H533-E537 VanDerWaalsContact CA-OE2 3.23Å; H533-E537 WeakPolarHBondContact CA-OE2 3.17Å; H533-E537 HydrophobicContact CB-CB 4.49Å; H533-E537 IonicContact CG-OE2 2.71Å; H533-E537 IonicContact ND1-OE2 2.63Å; H533-E537 PolarHBondContact ND1-OE2 2.84Å; H533-L538 HydrophobicContact CB-CD1 4.39Å; H533-L538 HydrophobicContact CB-CD2 3.77Å; H533-L538 HydrophobicContact CB-CG 3.84Å
534	S	96.7	Very high	96.7	Very high	46 Å²	46	57.8 Å²	57.8	32%	0.322	29%	0.294	S	S	.	.			trans	-75.3	160.5	172.3	104.1	0	0	0	0	111.1	E536 E537 L538	S534-E536 VanDerWaalsContact CB-OE2 3.31Å; S534-E536 WeakPolarHBondContact CB-OE2 3.31Å; S534-E536 PolarHBondContact O-N 3.25Å; S534-E536 WeakPolarHBondContact OG-CB 3.29Å; S534-E536 PolarHBondContact OG-N 3.12Å; S534-E536 VanDerWaalsContact OG-N 3.14Å; S534-E536 PolarHBondContact OG-OE2 3.47Å; S534-E537 PolarHBondContact N-OE2 3.03Å; S534-E537 VanDerWaalsContact N-OE2 3.12Å; S534-E537 PolarHBondContact O-N 2.9Å; S534-E537 PolarHBondContact OG-N 3.43Å; S534-L538 WeakPolarHBondContact O-CG 3.2Å; S534-L538 PolarHBondContact O-N 3.47Å
535	V	97.1	Very high	96.8	Very high	20 Å²	20	56 Å²	56	12%	0.121	29%	0.286	C	S	.	.	H	α-helix	trans	-59.6	-36.5	175.1	176.2	0	0	0	0	110.6	L538 R539 V660 K664 P665	V535-L538 PolarHBondContact O-N 2.93Å; V535-R539 HydrophobicContact CG1-CG 4.46Å; V535-R539 WeakPolarHBondContact O-CB 3.46Å; V535-R539 WeakPolarHBondContact O-CG 3.26Å; V535-R539 PolarHBondContact O-N 2.61Å; V535-V660 HydrophobicContact CG1-CG1 4.43Å; V535-K664 WeakPolarHBondContact CG2-O 3.47Å; V535-P665 HydrophobicContact CG2-CB 4.34Å
536	E	97.1	Very high	96.8	Very high	131 Å²	131	56.6 Å²	56.6	61%	0.612	29%	0.29	S	S	*	.	H	α-helix	trans	-66.3	-42.5	177.5	-58	63.8	-137	0	0	111.4	S534 R539 A540	S534-E536 VanDerWaalsContact CB-OE2 3.31Å; S534-E536 WeakPolarHBondContact CB-OE2 3.31Å; S534-E536 PolarHBondContact O-N 3.25Å; S534-E536 WeakPolarHBondContact OG-CB 3.29Å; S534-E536 PolarHBondContact OG-N 3.12Å; S534-E536 VanDerWaalsContact OG-N 3.14Å; S534-E536 PolarHBondContact OG-OE2 3.47Å; E536-R539 PolarHBondContact O-N 3.32Å; E536-A540 WeakPolarHBondContact O-CB 3.13Å; E536-A540 PolarHBondContact O-N 3.43Å
537	E	97.8	Very high	96.8	Very high	91 Å²	91	64.2 Å²	64.2	43%	0.425	32%	0.323	S	S	.	.	H	α-helix	trans	-64	-46.5	174.8	-65	-173.6	140.5	0	0	111.7	H533 S534 R539 A540 M541	H533-E537 VanDerWaalsContact CA-OE2 3.23Å; H533-E537 WeakPolarHBondContact CA-OE2 3.17Å; H533-E537 HydrophobicContact CB-CB 4.49Å; H533-E537 IonicContact CG-OE2 2.71Å; H533-E537 IonicContact ND1-OE2 2.63Å; H533-E537 PolarHBondContact ND1-OE2 2.84Å; S534-E537 PolarHBondContact N-OE2 3.03Å; S534-E537 VanDerWaalsContact N-OE2 3.12Å; S534-E537 PolarHBondContact O-N 2.9Å; S534-E537 PolarHBondContact OG-N 3.43Å; E537-R539 VanDerWaalsContact C-N 3.32Å; E537-R539 PolarHBondContact O-N 2.77Å; E537-A540 WeakPolarHBondContact O-CB 3.46Å; E537-A540 PolarHBondContact O-N 3.4Å; E537-A540 VanDerWaalsContact O-N 3.08Å; E537-M541 WeakPolarHBondContact O-CG 3.44Å; E537-M541 PolarHBondContact O-N 2.74Å
538	L	98.3	Very high	96.9	Very high	2 Å²	2	65.7 Å²	65.7	1%	0.01	33%	0.326	C	S	.	.	H	α-helix	trans	-61.5	-41.9	176.6	-65.1	173.1	0	0	0	110.7	A525 F526 H533 S534 V535 A540 M541 L542 V660 L666	A525-L538 HydrophobicContact CB-CD2 3.79Å; F526-L538 HydrophobicContact CD2-CD2 3.8Å; F526-L538 HydrophobicContact CE2-CB 3.91Å; F526-L538 HydrophobicContact CE2-CD2 3.78Å; F526-L538 HydrophobicContact CE2-CG 4.33Å; F526-L538 HydrophobicContact CZ-CB 4.03Å; F526-L538 HydrophobicContact CZ-CD2 4.47Å; H533-L538 HydrophobicContact CB-CD1 4.39Å; H533-L538 HydrophobicContact CB-CD2 3.77Å; H533-L538 HydrophobicContact CB-CG 3.84Å; S534-L538 WeakPolarHBondContact O-CG 3.2Å; S534-L538 PolarHBondContact O-N 3.47Å; V535-L538 PolarHBondContact O-N 2.93Å; L538-A540 VanDerWaalsContact C-N 3.33Å; L538-A540 PolarHBondContact O-N 3.42Å; L538-M541 PolarHBondContact O-N 3.11Å; L538-L542 WeakPolarHBondContact O-CG 3.34Å; L538-L542 PolarHBondContact O-N 2.71Å; L538-V660 HydrophobicContact CB-CG1 3.72Å; L538-V660 HydrophobicContact CB-CG2 4.23Å; L538-V660 HydrophobicContact CD1-CG2 3.88Å; L538-L666 HydrophobicContact CD1-CD1 3.73Å; L538-L666 HydrophobicContact CD1-CG 4.05Å
539	R	97.8	Very high	97	Very high	80 Å²	80	59.8 Å²	59.8	30%	0.302	30%	0.304	S	S	.	.	H	α-helix	trans	-62.5	-35.8	172.2	-72.3	175.1	92.1	116.4	13.1	112.6	V535 E536 E537 L542 N543 V660 V661	V535-R539 HydrophobicContact CG1-CG 4.46Å; V535-R539 WeakPolarHBondContact O-CB 3.46Å; V535-R539 WeakPolarHBondContact O-CG 3.26Å; V535-R539 PolarHBondContact O-N 2.61Å; E536-R539 PolarHBondContact O-N 3.32Å; E537-R539 VanDerWaalsContact C-N 3.32Å; E537-R539 PolarHBondContact O-N 2.77Å; R539-L542 PolarHBondContact O-N 2.91Å; R539-N543 PolarHBondContact O-N 3.49Å; R539-N543 VanDerWaalsContact O-N 3.08Å; R539-N543 PolarHBondContact O-ND2 3.26Å; R539-V660 HydrophobicContact CG-CG1 3.57Å; R539-V660 PolarHBondContact NH1-O 3.08Å; R539-V661 PolarHBondContact NH1-O 2.98Å; R539-V661 PolarHBondContact NH2-O 3.38Å
540	A	98.3	Very high	97.1	Very high	51 Å²	51	58.2 Å²	58.2	42%	0.421	31%	0.306	S	S	.	.	H	α-helix	trans	-63.7	-45.8	174.3	0	0	0	0	0	110.9	E536 E537 L538 L542 N543 E544	E536-A540 WeakPolarHBondContact O-CB 3.13Å; E536-A540 PolarHBondContact O-N 3.43Å; E537-A540 WeakPolarHBondContact O-CB 3.46Å; E537-A540 PolarHBondContact O-N 3.4Å; E537-A540 VanDerWaalsContact O-N 3.08Å; L538-A540 VanDerWaalsContact C-N 3.33Å; L538-A540 PolarHBondContact O-N 3.42Å; A540-L542 PolarHBondContact O-N 2.93Å; A540-N543 WeakPolarHBondContact O-CB 3.48Å; A540-N543 PolarHBondContact O-N 2.91Å; A540-N543 VanDerWaalsContact O-N 3.12Å; A540-E544 PolarHBondContact O-N 2.74Å
541	M	98.8	Very high	97.6	Very high	21 Å²	21	60.6 Å²	60.6	10%	0.103	31%	0.313	C	S	.	.	H	α-helix	trans	-62.6	-39.1	176.3	-61.1	-169.8	-150.8	0	0	112.8	R521 C522 A525 E537 L538 N543 E544 C545	R521-M541 HydrophobicContact CG-SD 4.11Å; C522-M541 HydrophobicContact CB-CB 4.01Å; A525-M541 HydrophobicContact CB-CE 3.93Å; A525-M541 HydrophobicContact CB-SD 3.69Å; E537-M541 WeakPolarHBondContact O-CG 3.44Å; E537-M541 PolarHBondContact O-N 2.74Å; L538-M541 PolarHBondContact O-N 3.11Å; M541-N543 VanDerWaalsContact C-N 3.33Å; M541-N543 PolarHBondContact O-N 2.73Å; M541-E544 PolarHBondContact O-N 3.27Å; M541-C545 PolarHBondContact O-N 2.7Å; M541-C545 PolarHBondContact O-SG 2.93Å
542	L	98.7	Very high	98	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-59.5	-42.4	172.4	-68	179.1	0	0	0	111.8	L471 I476 L479 F526 L538 R539 A540 C545 S546 I657 V660 V661	L471-L542 HydrophobicContact CD1-CB 4.34Å; L471-L542 HydrophobicContact CD1-CD1 4.35Å; L471-L542 HydrophobicContact CD2-CB 4.03Å; I476-L542 HydrophobicContact CD1-CD2 4.08Å; L479-L542 HydrophobicContact CD2-CD2 3.44Å; L479-L542 VanDerWaalsContact CD2-CD2 3.44Å; F526-L542 HydrophobicContact CE2-CD2 4.06Å; F526-L542 HydrophobicContact CE2-CG 4.25Å; F526-L542 HydrophobicContact CZ-CD1 4.14Å; F526-L542 HydrophobicContact CZ-CD2 3.97Å; F526-L542 HydrophobicContact CZ-CG 4.08Å; L538-L542 WeakPolarHBondContact O-CG 3.34Å; L538-L542 PolarHBondContact O-N 2.71Å; R539-L542 PolarHBondContact O-N 2.91Å; A540-L542 PolarHBondContact O-N 2.93Å; L542-C545 PolarHBondContact O-N 2.95Å; L542-S546 VanDerWaalsContact O-CB 3.29Å; L542-S546 WeakPolarHBondContact O-CB 3.39Å; L542-S546 PolarHBondContact O-N 3.47Å; L542-I657 HydrophobicContact CD1-CG2 4.13Å; L542-I657 HydrophobicContact CD2-CG1 4.16Å; L542-I657 HydrophobicContact CD2-CG2 4.13Å; L542-V660 HydrophobicContact CD1-CG1 3.96Å; L542-V661 HydrophobicContact CD1-CG2 4.03Å
543	N	98.4	Very high	98.1	Very high	70 Å²	70	51.1 Å²	51.1	37%	0.374	26%	0.263	S	S	.	.	H	α-helix	trans	-66.7	-38.4	177.5	-83.4	-81.7	0	0	0	112.4	R539 A540 M541 K547	R539-N543 PolarHBondContact O-N 3.49Å; R539-N543 VanDerWaalsContact O-N 3.08Å; R539-N543 PolarHBondContact O-ND2 3.26Å; A540-N543 WeakPolarHBondContact O-CB 3.48Å; A540-N543 PolarHBondContact O-N 2.91Å; A540-N543 VanDerWaalsContact O-N 3.12Å; M541-N543 VanDerWaalsContact C-N 3.33Å; M541-N543 PolarHBondContact O-N 2.73Å; N543-K547 VanDerWaalsContact O-CB 3.23Å; N543-K547 WeakPolarHBondContact O-CB 3.31Å; N543-K547 PolarHBondContact O-N 3.44Å
544	E	98.6	Very high	98.2	Very high	67 Å²	67	55.6 Å²	55.6	31%	0.313	28%	0.282	S	S	.	.	H	α-helix	trans	-64.2	-45.5	173.8	-69.8	178.1	106.8	0	0	112.3	H518 R521 A540 M541 K547 Y548	H518-E544 IonicContact CE1-OE1 3.67Å; H518-E544 IonicContact ND1-OE1 3.9Å; R521-E544 IonicContact CZ-OE1 2.63Å; R521-E544 IonicContact CZ-OE2 2.63Å; R521-E544 IonicContact NH2-OE1 2.67Å; R521-E544 PolarHBondContact NH2-OE1 3.22Å; R521-E544 IonicContact NH2-OE2 3.93Å; R521-E544 PolarHBondContact NH2-OE2 3.19Å; A540-E544 PolarHBondContact O-N 2.74Å; M541-E544 PolarHBondContact O-N 3.27Å; E544-K547 PolarHBondContact O-N 2.9Å; E544-Y548 WeakPolarHBondContact O-CB 3.33Å; E544-Y548 PolarHBondContact O-N 2.99Å
545	C	98.8	Very high	98.2	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.014	28%	0.275	C	S	.	.	H	α-helix	trans	-59.1	-49.1	175.8	-64	0	0	0	0	110.8	L479 H518 T519 C522 M541 L542 K547 Y548 H549	L479-C545 HydrophobicContact CD2-CB 4.37Å; H518-C545 VanDerWaalsContact C-SG 3.53Å; H518-C545 PolarHBondContact O-SG 3.28Å; T519-C545 HydrophobicContact CG2-CB 4.06Å; C522-C545 VanDerWaalsContact CB-SG 3.55Å; M541-C545 PolarHBondContact O-N 2.7Å; M541-C545 PolarHBondContact O-SG 2.93Å; L542-C545 PolarHBondContact O-N 2.95Å; C545-K547 PolarHBondContact O-N 2.9Å; C545-Y548 PolarHBondContact O-N 2.86Å; C545-H549 VanDerWaalsContact O-CB 3.23Å; C545-H549 WeakPolarHBondContact O-CB 3.31Å; C545-H549 PolarHBondContact O-N 3Å
546	S	98.7	Very high	98.3	Very high	14 Å²	14	54.3 Å²	54.3	10%	0.098	27%	0.27	C	S	.	.	H	α-helix	trans	-55.7	-46.2	175.3	171.2	0	0	0	0	112.7	S472 L542 G550	S472-S546 PolarHBondContact N-OG 3.1Å; L542-S546 VanDerWaalsContact O-CB 3.29Å; L542-S546 WeakPolarHBondContact O-CB 3.39Å; L542-S546 PolarHBondContact O-N 3.47Å; S546-G550 PolarHBondContact O-N 2.97Å
547	K	98.6	Very high	98.3	Very high	162 Å²	162	49.7 Å²	49.7	70%	0.704	25%	0.254	S	S	*	.	H	α-helix	trans	-66.4	-47.1	179.9	179.5	-175.6	174.9	-172.4	0	112.2	N543 E544 C545 Q551	N543-K547 VanDerWaalsContact O-CB 3.23Å; N543-K547 WeakPolarHBondContact O-CB 3.31Å; N543-K547 PolarHBondContact O-N 3.44Å; E544-K547 PolarHBondContact O-N 2.9Å; C545-K547 PolarHBondContact O-N 2.9Å; K547-Q551 PolarHBondContact O-N 3.32Å
548	Y	98.8	Very high	98.2	Very high	58 Å²	58	50 Å²	50	23%	0.227	26%	0.256	C	S	.	.	H	α-helix	trans	-72.7	-40.1	-176.4	-168.5	-103.4	0	0	0	111.7	T516 H518 E544 C545 Q551 L552	T516-Y548 HydrophobicContact CG2-CD1 3.8Å; T516-Y548 HydrophobicContact CG2-CE1 3.71Å; H518-Y548 AromaticContact CD2-CD1 3.82Å; H518-Y548 AromaticContact CD2-CD2 3.95Å; H518-Y548 AromaticContact CD2-CG 3.55Å; H518-Y548 AromaticContact NE2-CD2 3.98Å; E544-Y548 WeakPolarHBondContact O-CB 3.33Å; E544-Y548 PolarHBondContact O-N 2.99Å; C545-Y548 PolarHBondContact O-N 2.86Å; Y548-Q551 WeakPolarHBondContact O-CB 3.2Å; Y548-Q551 PolarHBondContact O-N 2.88Å; Y548-L552 HydrophobicContact CD1-CD1 4.04Å; Y548-L552 HydrophobicContact CD1-CG 4.29Å; Y548-L552 HydrophobicContact CE1-CD1 3.8Å; Y548-L552 HydrophobicContact CE1-CD2 4.25Å; Y548-L552 HydrophobicContact CE1-CG 4.06Å; Y548-L552 WeakPolarHBondContact O-CG 3.46Å; Y548-L552 PolarHBondContact O-N 2.97Å
549	H	98.8	Very high	98.2	Very high	6 Å²	6	50 Å²	50	3%	0.028	26%	0.257	C	S	.	.	H	α-helix	trans	-59.1	-48.8	171.4	-168.6	83.7	0	0	0	111.1	D474 A475 E497 C545 Q551 L552 T553	D474-H549 IonicContact OD2-CD2 3.3Å; D474-H549 PolarHBondContact OD2-CD2 3.12Å; D474-H549 IonicContact OD2-NE2 3.45Å; D474-H549 PolarHBondContact OD2-NE2 3.31Å; A475-H549 HydrophobicContact CB-CB 3.55Å; E497-H549 IonicContact OE1-CE1 3.43Å; E497-H549 IonicContact OE1-NE2 3.54Å; E497-H549 IonicContact OE2-CE1 2.71Å; E497-H549 PolarHBondContact OE2-CE1 3.38Å; E497-H549 IonicContact OE2-NE2 3.58Å; E497-H549 PolarHBondContact OE2-NE2 3.28Å; C545-H549 VanDerWaalsContact O-CB 3.23Å; C545-H549 WeakPolarHBondContact O-CB 3.31Å; C545-H549 PolarHBondContact O-N 3Å; H549-Q551 PolarHBondContact O-N 3.48Å; H549-L552 CarbonylContact O-C 3.55Å; H549-L552 WeakPolarHBondContact O-CA 3.44Å; H549-L552 WeakPolarHBondContact O-CB 3.33Å; H549-L552 PolarHBondContact O-N 3.15Å; H549-T553 PolarHBondContact O-N 3Å; H549-T553 PolarHBondContact O-OG1 3.06Å
550	G	98.2	Very high	98.3	Very high	33 Å²	33	48.3 Å²	48.3	34%	0.34	25%	0.252	S	S	.	.	H	α-helix	trans	-60.8	-28.2	176	0	0	0	0	0	114.4	S546 K554	S546-G550 PolarHBondContact O-N 2.97Å; G550-K554 WeakPolarHBondContact O-CB 3.18Å; G550-K554 PolarHBondContact O-N 2.84Å
551	Q	98.5	Very high	98.3	Very high	88 Å²	88	46.3 Å²	46.3	41%	0.411	24%	0.237	S	C	.	.	H	α-helix	trans	-68.3	-48.6	168.4	176	176.3	-12.3	0	0	111.2	K547 Y548 H549 T553 K554 E555	K547-Q551 PolarHBondContact O-N 3.32Å; Y548-Q551 WeakPolarHBondContact O-CB 3.2Å; Y548-Q551 PolarHBondContact O-N 2.88Å; H549-Q551 PolarHBondContact O-N 3.48Å; Q551-T553 PolarHBondContact O-N 3.43Å; Q551-K554 PolarHBondContact O-N 3.07Å; Q551-E555 HydrophobicContact CG-CG 4.46Å; Q551-E555 WeakPolarHBondContact CG-OE1 3.21Å; Q551-E555 PolarHBondContact NE2-OE1 2.92Å; Q551-E555 WeakPolarHBondContact O-CG 3.41Å; Q551-E555 PolarHBondContact O-N 3.47Å
552	L	98.6	Very high	98.3	Very high	29 Å²	29	45.8 Å²	45.8	15%	0.152	23%	0.234	C	C	.	.	H	α-helix	trans	-60.7	-42.1	176.8	-64.7	177.8	0	0	0	112.2	I512 R513 T516 Y548 H549 K554 E555 A556	I512-L552 HydrophobicContact CG2-CB 3.95Å; R513-L552 WeakPolarHBondContact O-CD1 3.13Å; T516-L552 HydrophobicContact CG2-CD1 3.86Å; Y548-L552 HydrophobicContact CD1-CD1 4.04Å; Y548-L552 HydrophobicContact CD1-CG 4.29Å; Y548-L552 HydrophobicContact CE1-CD1 3.8Å; Y548-L552 HydrophobicContact CE1-CD2 4.25Å; Y548-L552 HydrophobicContact CE1-CG 4.06Å; Y548-L552 WeakPolarHBondContact O-CG 3.46Å; Y548-L552 PolarHBondContact O-N 2.97Å; H549-L552 CarbonylContact O-C 3.55Å; H549-L552 WeakPolarHBondContact O-CA 3.44Å; H549-L552 WeakPolarHBondContact O-CB 3.33Å; H549-L552 PolarHBondContact O-N 3.15Å; L552-K554 VanDerWaalsContact C-N 3.33Å; L552-K554 PolarHBondContact O-N 2.64Å; L552-E555 PolarHBondContact O-N 3.13Å; L552-A556 WeakPolarHBondContact O-CB 3.15Å; L552-A556 PolarHBondContact O-N 3.46Å
553	T	98.1	Very high	98.3	Very high	43 Å²	43	46.2 Å²	46.2	26%	0.264	24%	0.236	S	C	.	.	H	α-helix	trans	-57.7	-45.5	174.2	-44.2	0	0	0	0	111.4	I512 H549 Q551 A557	I512-T553 HydrophobicContact CD1-CG2 3.92Å; H549-T553 PolarHBondContact O-N 3Å; H549-T553 PolarHBondContact O-OG1 3.06Å; Q551-T553 PolarHBondContact O-N 3.43Å; T553-A557 VanDerWaalsContact O-CB 3.27Å; T553-A557 WeakPolarHBondContact O-CB 3.47Å; T553-A557 PolarHBondContact O-N 3.25Å
554	K	97	Very high	98.3	Very high	153 Å²	153	43.2 Å²	43.2	67%	0.665	22%	0.219	S	C	*	.	H	α-helix	trans	-66.2	-40.4	177.5	-176	-177	176.9	-174.5	0	112	G550 Q551 L552 M558	G550-K554 WeakPolarHBondContact O-CB 3.18Å; G550-K554 PolarHBondContact O-N 2.84Å; Q551-K554 PolarHBondContact O-N 3.07Å; L552-K554 VanDerWaalsContact C-N 3.33Å; L552-K554 PolarHBondContact O-N 2.64Å; K554-M558 WeakPolarHBondContact O-CB 3.36Å; K554-M558 WeakPolarHBondContact O-CG 3.08Å; K554-M558 PolarHBondContact O-N 3.02Å
555	E	98.3	Very high	98.3	Very high	37 Å²	37	40 Å²	40	17%	0.173	21%	0.205	C	C	.	.	H	α-helix	trans	-67.6	-47.3	177.9	-72.3	-177.9	-151.6	0	0	110.9	R73 Q551 L552 A557 M558 G559 Q560	R73-E555 IonicContact CZ-OE2 3.77Å; R73-E555 IonicContact NE-OE2 3.29Å; R73-E555 PolarHBondContact NE-OE2 3.12Å; R73-E555 IonicContact NH2-OE2 3.52Å; R73-E555 PolarHBondContact NH2-OE2 3.37Å; Q551-E555 HydrophobicContact CG-CG 4.46Å; Q551-E555 WeakPolarHBondContact CG-OE1 3.21Å; Q551-E555 PolarHBondContact NE2-OE1 2.92Å; Q551-E555 WeakPolarHBondContact O-CG 3.41Å; Q551-E555 PolarHBondContact O-N 3.47Å; L552-E555 PolarHBondContact O-N 3.13Å; E555-A557 PolarHBondContact O-N 2.92Å; E555-M558 CarbonylContact O-C 3.55Å; E555-M558 PolarHBondContact O-N 3.07Å; E555-M558 VanDerWaalsContact O-N 3.16Å; E555-G559 PolarHBondContact O-N 3.37Å; E555-Q560 HydrophobicContact CB-CB 4.07Å; E555-Q560 WeakPolarHBondContact O-CA 3.47Å; E555-Q560 VanDerWaalsContact O-CB 3.25Å; E555-Q560 WeakPolarHBondContact O-CB 3.49Å; E555-Q560 PolarHBondContact O-N 3.02Å
556	A	98.3	Very high	98.3	Very high	2 Å²	2	40 Å²	40	2%	0.017	20%	0.204	C	C	.	.	H	α-helix	trans	-59.4	-47.9	176.5	0	0	0	0	0	112.3	C499 T501 E510 I512 L552 M558 G559	C499-A556 HydrophobicContact CB-CB 3.74Å; T501-A556 WeakPolarHBondContact CG2-O 3.22Å; E510-A556 HydrophobicContact CB-CB 4.33Å; E510-A556 HydrophobicContact CG-CB 4Å; I512-A556 HydrophobicContact CD1-CB 4.43Å; I512-A556 HydrophobicContact CG1-CB 3.57Å; L552-A556 WeakPolarHBondContact O-CB 3.15Å; L552-A556 PolarHBondContact O-N 3.46Å; A556-M558 PolarHBondContact O-N 3.28Å; A556-G559 PolarHBondContact O-N 3.45Å
557	A	96.5	Very high	98.3	Very high	34 Å²	34	41 Å²	41	28%	0.281	21%	0.207	S	C	.	.	H	α-helix	trans	-60.7	-29.2	177.2	0	0	0	0	0	113.3	F504 T553 E555 G559	F504-A557 WeakPolarHBondContact CE2-O 3.3Å; T553-A557 VanDerWaalsContact O-CB 3.27Å; T553-A557 WeakPolarHBondContact O-CB 3.47Å; T553-A557 PolarHBondContact O-N 3.25Å; E555-A557 PolarHBondContact O-N 2.92Å; A557-G559 VanDerWaalsContact C-N 3.27Å; A557-G559 PolarHBondContact O-N 3.08Å
558	M	97.3	Very high	98.3	Very high	98 Å²	98	33.4 Å²	33.4	48%	0.483	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	9.1	174.7	-69.5	-62.1	-60	0	0	113.6	P63 F504 K554 E555 A556 Q560	P63-M558 VanDerWaalsContact CG-O 3.32Å; P63-M558 WeakPolarHBondContact CG-O 3.37Å; F504-M558 HydrophobicContact CZ-CE 4.08Å; F504-M558 HydrophobicContact CZ-SD 4.37Å; K554-M558 WeakPolarHBondContact O-CB 3.36Å; K554-M558 WeakPolarHBondContact O-CG 3.08Å; K554-M558 PolarHBondContact O-N 3.02Å; E555-M558 CarbonylContact O-C 3.55Å; E555-M558 PolarHBondContact O-N 3.07Å; E555-M558 VanDerWaalsContact O-N 3.16Å; A556-M558 PolarHBondContact O-N 3.28Å; M558-Q560 VanDerWaalsContact C-N 3.3Å; M558-Q560 HydrophobicContact CB-CG 4.22Å; M558-Q560 PolarHBondContact O-N 2.85Å
559	G	98	Very high	98.3	Very high	2 Å²	2	30.7 Å²	30.7	2%	0.021	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	32.3	-176.7	0	0	0	0	0	112.9	P65 E555 A556 A557	P65-G559 WeakPolarHBondContact CG-O 3.34Å; E555-G559 PolarHBondContact O-N 3.37Å; A556-G559 PolarHBondContact O-N 3.45Å; A557-G559 VanDerWaalsContact C-N 3.27Å; A557-G559 PolarHBondContact O-N 3.08Å
560	Q	98.6	Very high	98.3	Very high	43 Å²	43	34.6 Å²	34.6	20%	0.201	18%	0.178	C	C	.	.			trans	-111.3	15.4	-177.9	-63.7	-60.7	-62.1	0	0	113.5	R73 E555 M558	R73-Q560 WeakPolarHBondContact CD-O 3.2Å; R73-Q560 PolarHBondContact NE-O 3.33Å; R73-Q560 VanDerWaalsContact NE-O 3.07Å; R73-Q560 PolarHBondContact NH1-O 3.35Å; E555-Q560 HydrophobicContact CB-CB 4.07Å; E555-Q560 WeakPolarHBondContact O-CA 3.47Å; E555-Q560 VanDerWaalsContact O-CB 3.25Å; E555-Q560 WeakPolarHBondContact O-CB 3.49Å; E555-Q560 PolarHBondContact O-N 3.02Å; M558-Q560 VanDerWaalsContact C-N 3.3Å; M558-Q560 HydrophobicContact CB-CG 4.22Å; M558-Q560 PolarHBondContact O-N 2.85Å
561	G	98.4	Very high	98.3	Very high	9 Å²	9	37 Å²	37	9%	0.093	18%	0.178	C	C	.	.			trans	-66.4	-177.3	166.9	0	0	0	0	0	112.5	E510	E510-G561 WeakPolarHBondContact OE2-CA 3.13Å
562	F	98.8	Very high	98.2	Very high	11 Å²	11	33.5 Å²	33.5	5%	0.048	16%	0.162	C	C	.	.	S	Bend	trans	-110.6	-30.3	176.2	69.1	-95.7	0	0	0	112.8	T70 R73 Y74 A77 R513 H565 L566 I592	T70-F562 HydrophobicContact CG2-CB 3.94Å; T70-F562 WeakPolarHBondContact O-CB 3.45Å; R73-F562 HydrophobicContact CB-CB 4.17Å; R73-F562 HydrophobicContact CB-CD1 3.93Å; R73-F562 HydrophobicContact CB-CG 4.45Å; Y74-F562 HydrophobicContact CD2-CD2 4.05Å; Y74-F562 AromaticContact CD2-CE2 3.85Å; Y74-F562 HydrophobicContact CD2-CE2 3.85Å; A77-F562 HydrophobicContact CB-CE1 3.55Å; A77-F562 HydrophobicContact CB-CZ 3.7Å; R513-F562 HydrophobicContact CG-CE1 3.75Å; R513-F562 HydrophobicContact CG-CZ 3.83Å; F562-H565 PolarHBondContact O-N 2.89Å; F562-L566 HydrophobicContact CD2-CD1 4.03Å; F562-L566 PolarHBondContact O-N 2.72Å; F562-I592 HydrophobicContact CE2-CD1 4.4Å; F562-I592 HydrophobicContact CZ-CD1 3.95Å
563	D	98.9	Very high	98.1	Very high	10 Å²	10	32.1 Å²	32.1	5%	0.053	16%	0.155	C	C	.	.	H	α-helix	trans	-60.9	-49.8	-172.6	-80.2	-76.9	0	0	0	112.3	T511 R513 H565 F567 N593	T511-D563 WeakPolarHBondContact CB-OD2 3.46Å; T511-D563 WeakPolarHBondContact CG2-OD2 3.39Å; R513-D563 IonicContact CZ-OD1 3.42Å; R513-D563 IonicContact CZ-OD2 3.69Å; R513-D563 IonicContact NE-OD1 2.76Å; R513-D563 IonicContact NE-OD2 2.71Å; R513-D563 PolarHBondContact NE-OD2 2.96Å; R513-D563 IonicContact NH2-OD1 2.74Å; R513-D563 PolarHBondContact NH2-OD1 2.88Å; R513-D563 IonicContact NH2-OD2 3.69Å; R513-D563 PolarHBondContact NH2-OD2 2.91Å; D563-H565 VanDerWaalsContact C-N 3.34Å; D563-H565 PolarHBondContact O-N 2.95Å; D563-F567 WeakPolarHBondContact O-CB 3.33Å; D563-F567 PolarHBondContact O-N 3.17Å; D563-N593 PolarHBondContact OD1-ND2 3.1Å
564	R	98.8	Very high	98	Very high	6 Å²	6	34.3 Å²	34.3	2%	0.023	16%	0.164	C	C	.	.	H	α-helix	trans	-65.7	-34.5	177.8	-64.3	-47.8	170.4	-78.9	2.3	113.4	I122 Y496 T509 E510 T511 A568	I122-R564 HydrophobicContact CD1-CB 3.82Å; I122-R564 HydrophobicContact CD1-CG 4.23Å; I122-R564 HydrophobicContact CG1-CB 3.93Å; I122-R564 HydrophobicContact CG1-CG 4Å; Y496-R564 PolarHBondContact OH-NH2 2.83Å; T509-R564 VanDerWaalsContact O-CG 3.29Å; T509-R564 WeakPolarHBondContact O-CG 3.46Å; T509-R564 PolarHBondContact O-NE 3.34Å; T509-R564 PolarHBondContact OG1-NH2 3.4Å; E510-R564 HydrophobicContact CB-CG 4.44Å; E510-R564 WeakPolarHBondContact OE1-CG 3.33Å; E510-R564 PolarHBondContact OE1-N 2.99Å; E510-R564 IonicContact OE1-NH1 2.81Å; E510-R564 PolarHBondContact OE1-NH1 3.33Å; T511-R564 PolarHBondContact OG1-NH1 3.41Å; R564-A568 WeakPolarHBondContact O-CB 3.37Å; R564-A568 PolarHBondContact O-N 3.17Å
565	H	98.9	Very high	97.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-69.5	-49.4	178	-171.8	-164.2	0	0	0	111.3	P65 T70 H106 F562 D563 F567 A568 L569	P65-H565 HydrophobicContact CG-CB 4.16Å; P65-H565 PolarHBondContact O-CE1 2.68Å; P65-H565 PolarHBondContact O-ND1 2.35Å; T70-H565 HydrophobicContact CG2-CB 4.2Å; T70-H565 PolarHBondContact OG1-ND1 2.78Å; H106-H565 AromaticContact CE1-CE1 3.64Å; H106-H565 AromaticContact CE1-NE2 3.75Å; H106-H565 AromaticContact ND1-CE1 3.21Å; H106-H565 PolarHBondContact ND1-CE1 3.33Å; H106-H565 AromaticContact ND1-NE2 3.01Å; H106-H565 PolarHBondContact ND1-NE2 2.8Å; F562-H565 PolarHBondContact O-N 2.89Å; D563-H565 VanDerWaalsContact C-N 3.34Å; D563-H565 PolarHBondContact O-N 2.95Å; H565-F567 VanDerWaalsContact C-N 3.31Å; H565-F567 PolarHBondContact O-N 2.76Å; H565-A568 PolarHBondContact O-N 3.33Å; H565-L569 VanDerWaalsContact O-CG 3.31Å; H565-L569 WeakPolarHBondContact O-CG 3.41Å; H565-L569 PolarHBondContact O-N 3.05Å
566	L	98.9	Very high	97.4	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-61.9	-37.9	176.4	-69.9	-172.7	0	0	0	112.2	T70 I71 Y74 F97 F562 L569 R570 L583 Y584 Y589	T70-L566 HydrophobicContact CG2-CD2 3.62Å; T70-L566 HydrophobicContact CG2-CG 3.74Å; I71-L566 HydrophobicContact CD1-CD2 4.42Å; Y74-L566 HydrophobicContact CD2-CD1 3.77Å; Y74-L566 HydrophobicContact CE2-CD1 4.37Å; Y74-L566 HydrophobicContact CG-CD1 4.03Å; F97-L566 HydrophobicContact CE1-CD2 4.41Å; F562-L566 HydrophobicContact CD2-CD1 4.03Å; F562-L566 PolarHBondContact O-N 2.72Å; L566-L569 HydrophobicContact CD2-CD1 4.42Å; L566-R570 WeakPolarHBondContact O-CB 3.48Å; L566-R570 PolarHBondContact O-N 3.29Å; L566-L583 HydrophobicContact CD1-CD2 4.47Å; L566-L583 HydrophobicContact CD2-CD2 3.93Å; L566-Y584 HydrophobicContact CB-CE1 4.43Å; L566-Y584 WeakPolarHBondContact O-CE1 3.48Å; L566-Y584 PolarHBondContact O-OH 3.01Å; L566-Y589 HydrophobicContact CB-CE2 4.38Å; L566-Y589 HydrophobicContact CD1-CE2 4.2Å
567	F	98.8	Very high	97	Very high	37 Å²	37	36.7 Å²	36.7	16%	0.162	20%	0.204	C	C	.	.	H	α-helix	trans	-62.7	-45.6	173.2	172.4	-95.1	0	0	0	112.4	I122 P125 W126 M129 D563 H565 L569 R570 Y571	I122-F567 HydrophobicContact CD1-CD1 3.74Å; I122-F567 HydrophobicContact CD1-CE1 4.23Å; P125-F567 HydrophobicContact CB-CE1 3.72Å; P125-F567 HydrophobicContact CB-CZ 4.49Å; W126-F567 HydrophobicContact CE3-CD1 4.14Å; W126-F567 AromaticContact CE3-CE1 3.93Å; W126-F567 HydrophobicContact CE3-CE1 3.93Å; W126-F567 HydrophobicContact CE3-CZ 4.31Å; W126-F567 HydrophobicContact CZ3-CD1 4.41Å; W126-F567 HydrophobicContact CZ3-CE1 4.48Å; M129-F567 HydrophobicContact CB-CZ 4.05Å; M129-F567 HydrophobicContact CG-CE2 4.39Å; M129-F567 HydrophobicContact CG-CZ 4.35Å; M129-F567 HydrophobicContact SD-CE2 3.83Å; M129-F567 HydrophobicContact SD-CZ 4.06Å; D563-F567 WeakPolarHBondContact O-CB 3.33Å; D563-F567 PolarHBondContact O-N 3.17Å; H565-F567 VanDerWaalsContact C-N 3.31Å; H565-F567 PolarHBondContact O-N 2.76Å; F567-L569 PolarHBondContact O-N 3.01Å; F567-R570 WeakPolarHBondContact O-CB 3.49Å; F567-R570 PolarHBondContact O-N 3.41Å; F567-Y571 WeakPolarHBondContact O-CB 3.24Å; F567-Y571 PolarHBondContact O-N 2.97Å
568	A	98.8	Very high	96.6	Very high	2 Å²	2	38.9 Å²	38.9	2%	0.017	21%	0.208	C	C	.	.	H	α-helix	trans	-64.3	-38.8	178.8	0	0	0	0	0	112.6	L109 Y121 I122 R564 H565 Y571 L572	L109-A568 HydrophobicContact CD1-CB 4.2Å; L109-A568 HydrophobicContact CD2-CB 3.91Å; Y121-A568 HydrophobicContact CD2-CB 3.65Å; Y121-A568 HydrophobicContact CE2-CB 3.68Å; I122-A568 HydrophobicContact CD1-CB 4.41Å; R564-A568 WeakPolarHBondContact O-CB 3.37Å; R564-A568 PolarHBondContact O-N 3.17Å; H565-A568 PolarHBondContact O-N 3.33Å; A568-Y571 PolarHBondContact O-N 2.86Å; A568-L572 WeakPolarHBondContact O-CB 2.97Å; A568-L572 PolarHBondContact O-N 3.01Å
569	L	98.6	Very high	96.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-64.1	-40.2	173.4	-64.9	171.6	0	0	0	111.8	L67 F97 L105 H106 L109 H565 L566 F567 L572 A573 Y584	L67-L569 HydrophobicContact CD1-CD1 3.99Å; F97-L569 HydrophobicContact CE1-CD1 4.33Å; F97-L569 HydrophobicContact CZ-CD1 4.39Å; L105-L569 VanDerWaalsContact C-CD2 3.41Å; L105-L569 HydrophobicContact CB-CD2 3.77Å; L105-L569 WeakPolarHBondContact O-CD2 3.44Å; H106-L569 HydrophobicContact CB-CD2 4.1Å; L109-L569 HydrophobicContact CB-CD2 4.11Å; L109-L569 HydrophobicContact CD2-CD2 3.8Å; L109-L569 HydrophobicContact CD2-CG 4.17Å; H565-L569 VanDerWaalsContact O-CG 3.31Å; H565-L569 WeakPolarHBondContact O-CG 3.41Å; H565-L569 PolarHBondContact O-N 3.05Å; L566-L569 HydrophobicContact CD2-CD1 4.42Å; F567-L569 PolarHBondContact O-N 3.01Å; L569-L572 PolarHBondContact O-N 3.36Å; L569-A573 PolarHBondContact O-N 2.89Å; L569-A573 VanDerWaalsContact O-N 3.08Å; L569-Y584 WeakPolarHBondContact CB-OH 3.18Å
570	R	98.4	Very high	96.1	Very high	88 Å²	88	42.4 Å²	42.4	33%	0.332	24%	0.237	S	C	.	.	H	α-helix	trans	-64.7	-44.2	174.8	-171.3	178.8	171.7	-158.2	-2.7	111.8	L566 F567 L572 A573 N574 L580 Y584	L566-R570 WeakPolarHBondContact O-CB 3.48Å; L566-R570 PolarHBondContact O-N 3.29Å; F567-R570 WeakPolarHBondContact O-CB 3.49Å; F567-R570 PolarHBondContact O-N 3.41Å; R570-L572 VanDerWaalsContact C-N 3.34Å; R570-A573 PolarHBondContact O-N 3.22Å; R570-N574 WeakPolarHBondContact O-CB 3.12Å; R570-N574 VanDerWaalsContact O-CG 3.3Å; R570-N574 PolarHBondContact O-N 3.16Å; R570-L580 HydrophobicContact CG-CD1 3.94Å; R570-Y584 HydrophobicContact CB-CD1 4.18Å; R570-Y584 HydrophobicContact CB-CD2 4.31Å; R570-Y584 HydrophobicContact CB-CE1 3.77Å; R570-Y584 HydrophobicContact CB-CE2 3.94Å; R570-Y584 HydrophobicContact CB-CG 4.41Å; R570-Y584 HydrophobicContact CG-CD1 4.15Å; R570-Y584 HydrophobicContact CG-CD2 4.09Å; R570-Y584 HydrophobicContact CG-CE1 4.25Å; R570-Y584 HydrophobicContact CG-CE2 4.21Å; R570-Y584 HydrophobicContact CG-CG 4.03Å; R570-Y584 PolarHBondContact N-OH 2.92Å
571	Y	97.8	Very high	95.9	Very high	84 Å²	84	40.9 Å²	40.9	33%	0.329	23%	0.231	S	C	.	.	H	α-helix	trans	-60.5	-43.6	175.6	-177.8	-87.8	0	0	0	111.3	P125 D128 F567 A568 N574 S575	P125-Y571 HydrophobicContact CB-CD1 3.92Å; P125-Y571 HydrophobicContact CB-CD2 3.97Å; P125-Y571 HydrophobicContact CB-CE1 4.21Å; P125-Y571 HydrophobicContact CB-CE2 4.26Å; P125-Y571 HydrophobicContact CB-CG 3.8Å; P125-Y571 HydrophobicContact CG-CD1 3.7Å; P125-Y571 HydrophobicContact CG-CE1 3.85Å; P125-Y571 HydrophobicContact CG-CG 4.12Å; D128-Y571 HydrophobicContact CB-CE2 4.16Å; D128-Y571 PolarHBondContact OD2-OH 3.15Å; D128-Y571 VanDerWaalsContact OD2-OH 3.11Å; F567-Y571 WeakPolarHBondContact O-CB 3.24Å; F567-Y571 PolarHBondContact O-N 2.97Å; A568-Y571 PolarHBondContact O-N 2.86Å; Y571-N574 PolarHBondContact O-N 2.92Å; Y571-S575 WeakPolarHBondContact O-CB 3.31Å; Y571-S575 PolarHBondContact O-N 3.47Å
572	L	97	Very high	95.9	Very high	15 Å²	15	43.2 Å²	43.2	8%	0.079	25%	0.246	C	C	.	.	H	α-helix	trans	-61.5	-47.5	177.4	-179.6	60.4	0	0	0	111.9	L105 E108 L109 A568 L569 R570 N574 S575 K576	L105-L572 HydrophobicContact CD2-CB 4.49Å; L105-L572 HydrophobicContact CD2-CD2 4.16Å; L105-L572 HydrophobicContact CD2-CG 4.12Å; L105-L572 WeakPolarHBondContact O-CD2 3.27Å; E108-L572 HydrophobicContact CB-CD2 3.94Å; L109-L572 HydrophobicContact CB-CD2 4.21Å; A568-L572 WeakPolarHBondContact O-CB 2.97Å; A568-L572 PolarHBondContact O-N 3.01Å; L569-L572 PolarHBondContact O-N 3.36Å; R570-L572 VanDerWaalsContact C-N 3.34Å; L572-N574 PolarHBondContact O-N 2.91Å; L572-S575 PolarHBondContact O-N 3.4Å; L572-S575 PolarHBondContact O-OG 3.4Å; L572-K576 PolarHBondContact O-N 3Å
573	A	96.3	Very high	95.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-59.5	-47	176.4	0	0	0	0	0	112	L105 L569 R570 S575 K576 Q578	L105-A573 HydrophobicContact CD1-CB 4.06Å; L105-A573 HydrophobicContact CD2-CB 4Å; L569-A573 PolarHBondContact O-N 2.89Å; L569-A573 VanDerWaalsContact O-N 3.08Å; R570-A573 PolarHBondContact O-N 3.22Å; A573-S575 VanDerWaalsContact C-N 3.35Å; A573-S575 PolarHBondContact O-N 2.57Å; A573-K576 PolarHBondContact O-N 2.91Å; A573-Q578 PolarHBondContact O-N 3.47Å
574	N	94.9	Very high	95.8	Very high	88 Å²	88	42.9 Å²	42.9	47%	0.471	24%	0.244	S	C	.	.	H	α-helix	trans	-60.4	-42.1	175.8	-72.8	-3.7	0	0	0	112.1	R570 Y571 L572 K576 G577	R570-N574 WeakPolarHBondContact O-CB 3.12Å; R570-N574 VanDerWaalsContact O-CG 3.3Å; R570-N574 PolarHBondContact O-N 3.16Å; Y571-N574 PolarHBondContact O-N 2.92Å; L572-N574 PolarHBondContact O-N 2.91Å; N574-K576 PolarHBondContact O-N 3.47Å; N574-K576 VanDerWaalsContact O-N 3.12Å; N574-G577 PolarHBondContact O-N 2.92Å
575	S	93.4	Very high	95.8	Very high	78 Å²	78	47.1 Å²	47.1	55%	0.545	27%	0.27	S	S	.	.	H	α-helix	trans	-62.9	-20	-178.8	78.6	0	0	0	0	113.7	Y571 L572 A573	Y571-S575 WeakPolarHBondContact O-CB 3.31Å; Y571-S575 PolarHBondContact O-N 3.47Å; L572-S575 PolarHBondContact O-N 3.4Å; L572-S575 PolarHBondContact O-OG 3.4Å; A573-S575 VanDerWaalsContact C-N 3.35Å; A573-S575 PolarHBondContact O-N 2.57Å
576	K	90.7	Very high	95.8	Very high	93 Å²	93	47.7 Å²	47.7	40%	0.404	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-3.2	176.8	-71.4	177.6	149.9	-163.5	0	114.3	E108 L572 A573 N574 Q578	E108-K576 IonicContact OE1-NZ 2.75Å; E108-K576 PolarHBondContact OE1-NZ 2.67Å; E108-K576 IonicContact OE2-NZ 3.75Å; E108-K576 PolarHBondContact OE2-NZ 3.06Å; L572-K576 PolarHBondContact O-N 3Å; A573-K576 PolarHBondContact O-N 2.91Å; N574-K576 PolarHBondContact O-N 3.47Å; N574-K576 VanDerWaalsContact O-N 3.12Å; K576-Q578 HydrophobicContact CB-CG 3.88Å; K576-Q578 PolarHBondContact O-N 3.3Å
577	G	89.8	Confident	95.7	Very high	71 Å²	71	52.8 Å²	52.8	73%	0.732	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.3	23.5	-172.3	0	0	0	0	0	113.9	N574	N574-G577 PolarHBondContact O-N 2.92Å
578	Q	88.2	Confident	95.7	Very high	80 Å²	80	51.3 Å²	51.3	37%	0.374	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-74.3	152.8	177.2	-69.7	178	-34	0	0	111.1	A573 K576 L580	A573-Q578 PolarHBondContact O-N 3.47Å; K576-Q578 HydrophobicContact CB-CG 3.88Å; K576-Q578 PolarHBondContact O-N 3.3Å; Q578-L580 PolarHBondContact O-N 2.88Å
579	S	90.1	Very high	95.7	Very high	114 Å²	114	51.8 Å²	51.8	80%	0.797	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-61.6	131.7	168	48.8	0	0	0	0	109.9	P581	S579-P581 WeakPolarHBondContact O-CD 3.47Å
580	L	93.3	Very high	95.7	Very high	60 Å²	60	53.8 Å²	53.8	31%	0.314	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-60	122.8	-174	-172.4	70.5	0	0	0	110.6	R570 Q578 Y584 T585	R570-L580 HydrophobicContact CG-CD1 3.94Å; Q578-L580 PolarHBondContact O-N 2.88Å; L580-Y584 HydrophobicContact CD1-CD2 3.88Å; L580-Y584 HydrophobicContact CD1-CG 4.22Å; L580-Y584 HydrophobicContact CG-CD2 4.27Å; L580-Y584 HydrophobicContact CG-CG 4.5Å; L580-T585 HydrophobicContact CD2-CG2 4.01Å; L580-T585 HydrophobicContact CG-CG2 4.46Å
581	P	96.1	Very high	95.7	Very high	11 Å²	11	52 Å²	52	7%	0.071	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-56	147.8	179.2	-31	36.2	0	0	0	114.3	F97 V101 L105 S579 L583 Y584	F97-P581 HydrophobicContact CD2-CB 3.86Å; F97-P581 HydrophobicContact CE2-CB 3.7Å; F97-P581 HydrophobicContact CE2-CG 4.15Å; V101-P581 HydrophobicContact CG1-CB 3.8Å; V101-P581 HydrophobicContact CG1-CG 3.96Å; V101-P581 HydrophobicContact CG2-CG 4.38Å; L105-P581 HydrophobicContact CD1-CG 4.09Å; S579-P581 WeakPolarHBondContact O-CD 3.47Å; P581-L583 PolarHBondContact O-N 2.67Å; P581-L583 VanDerWaalsContact O-N 3.1Å; P581-Y584 HydrophobicContact CB-CD2 3.86Å; P581-Y584 HydrophobicContact CB-CE2 3.99Å; P581-Y584 HydrophobicContact CG-CD2 4.09Å; P581-Y584 HydrophobicContact CG-CE2 3.99Å; P581-Y584 PolarHBondContact O-N 3.03Å
582	S	97.3	Very high	95.7	Very high	58 Å²	58	48.1 Å²	48.1	41%	0.406	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-52.4	-35.8	-174.5	49.5	0	0	0	0	114.4	Y584 T585 D586	S582-Y584 PolarHBondContact O-N 3.32Å; S582-T585 WeakPolarHBondContact CA-OG1 3.48Å; S582-T585 PolarHBondContact O-N 3.49Å; S582-T585 VanDerWaalsContact O-N 3.09Å; S582-T585 PolarHBondContact O-OG1 3.05Å; S582-D586 PolarHBondContact O-N 3.25Å
583	L	98.5	Very high	95.8	Very high	0 Å²	0	50 Å²	50	0%	0	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-54	-33.3	174.6	179.5	63	0	0	0	113.2	I71 Y74 I93 A94 F97 L566 P581 Y589	I71-L583 HydrophobicContact CD1-CD2 4.14Å; Y74-L583 HydrophobicContact CD1-CD1 4.42Å; Y74-L583 HydrophobicContact CE1-CD1 3.69Å; I93-L583 HydrophobicContact CG2-CB 4.29Å; I93-L583 HydrophobicContact CG2-CD1 4.49Å; A94-L583 HydrophobicContact CB-CD1 4.24Å; F97-L583 HydrophobicContact CB-CB 4.06Å; F97-L583 HydrophobicContact CB-CD2 4.28Å; F97-L583 HydrophobicContact CD1-CD2 3.45Å; F97-L583 VanDerWaalsContact CD1-CD2 3.45Å; F97-L583 HydrophobicContact CD2-CB 3.82Å; F97-L583 HydrophobicContact CD2-CD2 4.12Å; F97-L583 HydrophobicContact CE1-CD2 3.63Å; F97-L583 HydrophobicContact CE2-CB 4.38Å; F97-L583 HydrophobicContact CE2-CD2 4.29Å; F97-L583 HydrophobicContact CG-CB 3.9Å; F97-L583 HydrophobicContact CG-CD2 3.69Å; F97-L583 HydrophobicContact CG-CG 4.43Å; F97-L583 HydrophobicContact CZ-CD2 4.06Å; L566-L583 HydrophobicContact CD1-CD2 4.47Å; L566-L583 HydrophobicContact CD2-CD2 3.93Å; P581-L583 PolarHBondContact O-N 2.67Å; P581-L583 VanDerWaalsContact O-N 3.1Å; L583-Y589 WeakPolarHBondContact O-CB 3.4Å
584	Y	98.3	Very high	95.9	Very high	14 Å²	14	53.4 Å²	53.4	6%	0.055	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-94.3	-7.4	-178	-49.4	-61.8	0	0	0	113.6	F97 L566 L569 R570 L580 P581 S582 Y589	F97-Y584 AromaticContact CE2-CE2 3.93Å; F97-Y584 HydrophobicContact CE2-CE2 3.93Å; F97-Y584 HydrophobicContact CZ-CE2 4.17Å; F97-Y584 AromaticContact CZ-CZ 3.99Å; L566-Y584 HydrophobicContact CB-CE1 4.43Å; L566-Y584 WeakPolarHBondContact O-CE1 3.48Å; L566-Y584 PolarHBondContact O-OH 3.01Å; L569-Y584 WeakPolarHBondContact CB-OH 3.18Å; R570-Y584 HydrophobicContact CB-CD1 4.18Å; R570-Y584 HydrophobicContact CB-CD2 4.31Å; R570-Y584 HydrophobicContact CB-CE1 3.77Å; R570-Y584 HydrophobicContact CB-CE2 3.94Å; R570-Y584 HydrophobicContact CB-CG 4.41Å; R570-Y584 HydrophobicContact CG-CD1 4.15Å; R570-Y584 HydrophobicContact CG-CD2 4.09Å; R570-Y584 HydrophobicContact CG-CE1 4.25Å; R570-Y584 HydrophobicContact CG-CE2 4.21Å; R570-Y584 HydrophobicContact CG-CG 4.03Å; R570-Y584 PolarHBondContact N-OH 2.92Å; L580-Y584 HydrophobicContact CD1-CD2 3.88Å; L580-Y584 HydrophobicContact CD1-CG 4.22Å; L580-Y584 HydrophobicContact CG-CD2 4.27Å; L580-Y584 HydrophobicContact CG-CG 4.5Å; P581-Y584 HydrophobicContact CB-CD2 3.86Å; P581-Y584 HydrophobicContact CB-CE2 3.99Å; P581-Y584 HydrophobicContact CG-CD2 4.09Å; P581-Y584 HydrophobicContact CG-CE2 3.99Å; P581-Y584 PolarHBondContact O-N 3.03Å; S582-Y584 PolarHBondContact O-N 3.32Å; Y584-Y589 HydrophobicContact CD1-CD1 4.05Å; Y584-Y589 HydrophobicContact CD1-CD2 4.19Å; Y584-Y589 AromaticContact CD1-CE1 3.63Å; Y584-Y589 HydrophobicContact CD1-CE1 3.63Å; Y584-Y589 AromaticContact CD1-CE2 3.8Å; Y584-Y589 HydrophobicContact CD1-CE2 3.8Å; Y584-Y589 HydrophobicContact CD1-CG 4.33Å; Y584-Y589 AromaticContact CD1-CZ 3.52Å; Y584-Y589 HydrophobicContact CE1-CE2 4.08Å; Y584-Y589 AromaticContact CE1-CZ 3.98Å; Y584-Y589 HydrophobicContact CG-CE1 4.42Å
585	T	97.5	Very high	96.1	Very high	95 Å²	95	50.1 Å²	50.1	58%	0.583	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-8.7	169.4	56.3	0	0	0	0	112.6	L580 S582 P587	L580-T585 HydrophobicContact CD2-CG2 4.01Å; L580-T585 HydrophobicContact CG-CG2 4.46Å; S582-T585 WeakPolarHBondContact CA-OG1 3.48Å; S582-T585 PolarHBondContact O-N 3.49Å; S582-T585 VanDerWaalsContact O-N 3.09Å; S582-T585 PolarHBondContact O-OG1 3.05Å; T585-P587 WeakPolarHBondContact O-CD 3.47Å
586	D	98.4	Very high	96.3	Very high	12 Å²	12	47.4 Å²	47.4	6%	0.064	30%	0.3	C	S	.	.	S	Bend	trans	-59.3	123.8	171.2	-178.1	-6.4	0	0	0	110	T90 I93 S582 A588 Y589 G590	T90-D586 WeakPolarHBondContact CA-OD2 3.34Å; T90-D586 WeakPolarHBondContact CB-OD2 3.28Å; T90-D586 VanDerWaalsContact CG2-OD2 3.3Å; T90-D586 WeakPolarHBondContact CG2-OD2 3.46Å; T90-D586 PolarHBondContact OG1-OD1 3.36Å; T90-D586 PolarHBondContact OG1-OD2 3.1Å; I93-D586 HydrophobicContact CD1-CB 4.26Å; S582-D586 PolarHBondContact O-N 3.25Å; D586-A588 PolarHBondContact O-N 3.01Å; D586-A588 VanDerWaalsContact O-N 3.11Å; D586-A588 WeakPolarHBondContact OD1-CB 3.47Å; D586-A588 PolarHBondContact OD1-N 3.48Å; D586-Y589 WeakPolarHBondContact O-CB 3.15Å; D586-Y589 PolarHBondContact O-N 3.42Å; D586-G590 PolarHBondContact O-N 3.47Å
587	P	98.5	Very high	96.7	Very high	109 Å²	109	43 Å²	43	71%	0.708	28%	0.281	S	S	*	.	H	α-helix	trans	-51.3	-31.4	173.1	-28.4	36.5	0	0	0	113.7	T585 G590 A591	T585-P587 WeakPolarHBondContact O-CD 3.47Å; P587-G590 PolarHBondContact O-N 3.04Å; P587-A591 WeakPolarHBondContact O-CB 3.36Å; P587-A591 PolarHBondContact O-N 3.02Å
588	A	98.5	Very high	97.2	Very high	6 Å²	6	40 Å²	40	5%	0.05	25%	0.249	C	C	.	.	H	α-helix	trans	-67.2	-36.3	176.1	0	0	0	0	0	112.7	Q78 L82 T90 D586 A591 I592	Q78-A588 PolarHBondContact NE2-O 3.19Å; L82-A588 HydrophobicContact CD1-CB 3.84Å; L82-A588 HydrophobicContact CD2-CB 3.88Å; L82-A588 HydrophobicContact CG-CB 4.48Å; T90-A588 HydrophobicContact CG2-CB 4.08Å; T90-A588 WeakPolarHBondContact OG1-CB 3.4Å; D586-A588 PolarHBondContact O-N 3.01Å; D586-A588 VanDerWaalsContact O-N 3.11Å; D586-A588 WeakPolarHBondContact OD1-CB 3.47Å; D586-A588 PolarHBondContact OD1-N 3.48Å; A588-A591 PolarHBondContact O-N 3.11Å; A588-I592 PolarHBondContact O-N 3.37Å
589	Y	98.8	Very high	97.7	Very high	11 Å²	11	36.2 Å²	36.2	4%	0.043	23%	0.231	C	C	.	.	H	α-helix	trans	-67.6	-39.5	174.4	-178.9	-93	0	0	0	110.9	Y74 L566 L583 Y584 D586 N593	Y74-Y589 HydrophobicContact CE2-CD2 4.02Å; L566-Y589 HydrophobicContact CB-CE2 4.38Å; L566-Y589 HydrophobicContact CD1-CE2 4.2Å; L583-Y589 WeakPolarHBondContact O-CB 3.4Å; Y584-Y589 HydrophobicContact CD1-CD1 4.05Å; Y584-Y589 HydrophobicContact CD1-CD2 4.19Å; Y584-Y589 AromaticContact CD1-CE1 3.63Å; Y584-Y589 HydrophobicContact CD1-CE1 3.63Å; Y584-Y589 AromaticContact CD1-CE2 3.8Å; Y584-Y589 HydrophobicContact CD1-CE2 3.8Å; Y584-Y589 HydrophobicContact CD1-CG 4.33Å; Y584-Y589 AromaticContact CD1-CZ 3.52Å; Y584-Y589 HydrophobicContact CE1-CE2 4.08Å; Y584-Y589 AromaticContact CE1-CZ 3.98Å; Y584-Y589 HydrophobicContact CG-CE1 4.42Å; D586-Y589 WeakPolarHBondContact O-CB 3.15Å; D586-Y589 PolarHBondContact O-N 3.42Å; Y589-N593 WeakPolarHBondContact CE2-OD1 3.48Å; Y589-N593 PolarHBondContact O-N 2.76Å; Y589-N593 PolarHBondContact O-OD1 2.89Å; Y589-N593 PolarHBondContact OH-OD1 2.84Å
590	G	98.2	Very high	97.9	Very high	43 Å²	43	32.5 Å²	32.5	44%	0.443	21%	0.205	S	C	.	.	H	α-helix	trans	-57.1	-51	169.2	0	0	0	0	0	112	D586 P587 I592 N593 H594	D586-G590 PolarHBondContact O-N 3.47Å; P587-G590 PolarHBondContact O-N 3.04Å; G590-I592 PolarHBondContact O-N 3.09Å; G590-N593 PolarHBondContact O-N 2.86Å; G590-H594 PolarHBondContact O-N 3.47Å
591	A	98.2	Very high	97.8	Very high	50 Å²	50	32.2 Å²	32.2	41%	0.413	21%	0.206	S	C	.	.	H	α-helix	trans	-61.5	-44.8	-178.1	0	0	0	0	0	113.3	A494 P587 A588 N593 H594	A494-A591 WeakPolarHBondContact CB-O 3Å; P587-A591 WeakPolarHBondContact O-CB 3.36Å; P587-A591 PolarHBondContact O-N 3.02Å; A588-A591 PolarHBondContact O-N 3.11Å; A591-N593 VanDerWaalsContact C-N 3.26Å; A591-N593 PolarHBondContact O-N 3.25Å; A591-H594 PolarHBondContact O-N 3.02Å; A591-H594 VanDerWaalsContact O-N 3.12Å
592	I	98.5	Very high	96.8	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-71.2	-19.6	-179	-159.3	166.8	0	0	0	113.2	Y74 A77 Q78 L81 R513 F562 A588 G590 N595	Y74-I592 HydrophobicContact CE2-CG2 4.06Å; A77-I592 HydrophobicContact CB-CD1 3.86Å; Q78-I592 HydrophobicContact CG-CD1 4.12Å; L81-I592 HydrophobicContact CD1-CB 4.36Å; L81-I592 HydrophobicContact CD1-CD1 4.12Å; L81-I592 HydrophobicContact CD1-CG1 3.91Å; R513-I592 VanDerWaalsContact CZ-O 3.27Å; R513-I592 PolarHBondContact NH1-O 3.04Å; R513-I592 PolarHBondContact NH2-O 3.25Å; F562-I592 HydrophobicContact CE2-CD1 4.4Å; F562-I592 HydrophobicContact CZ-CD1 3.95Å; A588-I592 PolarHBondContact O-N 3.37Å; G590-I592 PolarHBondContact O-N 3.09Å; I592-N595 PolarHBondContact O-OD1 3.01Å
593	N	98.6	Very high	95.9	Very high	55 Å²	55	34.7 Å²	34.7	29%	0.294	22%	0.216	S	C	.	.	H	α-helix	trans	-94	-8	171	-69.4	128.9	0	0	0	113.7	R513 D563 Y589 G590 A591 N595	R513-N593 PolarHBondContact NH2-ND2 3.07Å; D563-N593 PolarHBondContact OD1-ND2 3.1Å; Y589-N593 WeakPolarHBondContact CE2-OD1 3.48Å; Y589-N593 PolarHBondContact O-N 2.76Å; Y589-N593 PolarHBondContact O-OD1 2.89Å; Y589-N593 PolarHBondContact OH-OD1 2.84Å; G590-N593 PolarHBondContact O-N 2.86Å; A591-N593 VanDerWaalsContact C-N 3.26Å; A591-N593 PolarHBondContact O-N 3.25Å; N593-N595 PolarHBondContact O-N 3.36Å; N593-N595 VanDerWaalsContact O-N 3.15Å; N593-N595 PolarHBondContact O-ND2 2.95Å
594	H	98.6	Very high	95.3	Very high	72 Å²	72	35.3 Å²	35.3	33%	0.333	22%	0.221	S	C	.	.	S	Bend	trans	-84.1	75	170	-169.7	86	0	0	0	110.4	G590 A591 I596 D618	G590-H594 PolarHBondContact O-N 3.47Å; A591-H594 PolarHBondContact O-N 3.02Å; A591-H594 VanDerWaalsContact O-N 3.12Å; H594-I596 PolarHBondContact O-N 2.71Å; H594-D618 IonicContact CD2-OD1 3.56Å; H594-D618 IonicContact CE1-OD1 3.31Å; H594-D618 IonicContact NE2-OD1 3.56Å; H594-D618 PolarHBondContact NE2-OD1 3.46Å
595	N	98.6	Very high	94.8	Very high	19 Å²	19	40.1 Å²	40.1	10%	0.102	25%	0.254	C	S	.	.			trans	-74.7	85.6	-166.5	-53.4	-66.4	0	0	0	113.2	A494 R513 I592 N593 L597 V615	A494-N595 CarbonylContact O-C 3.32Å; R513-N595 PolarHBondContact NH1-OD1 2.9Å; I592-N595 PolarHBondContact O-OD1 3.01Å; N593-N595 PolarHBondContact O-N 3.36Å; N593-N595 VanDerWaalsContact O-N 3.15Å; N593-N595 PolarHBondContact O-ND2 2.95Å; N595-L597 VanDerWaalsContact C-N 3.28Å; N595-L597 PolarHBondContact O-N 3.03Å; N595-V615 HydrophobicContact CB-CG2 4.12Å
596	I	98.8	Very high	94.6	Very high	21 Å²	21	35.7 Å²	35.7	11%	0.108	23%	0.227	C	C	.	.	S	Bend	trans	-60	-36.2	176.8	-67.4	169.4	0	0	0	111.8	F485 V493 A494 H594 V616 G619 F620	F485-I596 HydrophobicContact CE2-CG2 3.57Å; F485-I596 HydrophobicContact CZ-CG2 3.71Å; V493-I596 HydrophobicContact CB-CB 4.14Å; V493-I596 HydrophobicContact CB-CD1 4.12Å; V493-I596 HydrophobicContact CB-CG2 4.33Å; V493-I596 HydrophobicContact CG1-CD1 3.98Å; V493-I596 HydrophobicContact CG2-CB 4.06Å; V493-I596 HydrophobicContact CG2-CG2 3.93Å; A494-I596 PolarHBondContact O-N 3.18Å; A494-I596 VanDerWaalsContact O-N 3.16Å; H594-I596 PolarHBondContact O-N 2.71Å; I596-V616 HydrophobicContact CG1-CG2 4.48Å; I596-G619 CarbonylContact O-C 3.3Å; I596-G619 VanDerWaalsContact O-CA 3.23Å; I596-G619 WeakPolarHBondContact O-CA 3.48Å; I596-F620 PolarHBondContact O-N 3.04Å
597	L	98.9	Very high	94.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	91.6	170.9	-73.7	172.9	0	0	0	109.6	F485 V493 A494 T495 Y496 N595 F620 F646	F485-L597 HydrophobicContact CB-CD1 4.04Å; F485-L597 HydrophobicContact CD2-CD1 4.15Å; F485-L597 HydrophobicContact CD2-CD2 4.01Å; F485-L597 HydrophobicContact CD2-CG 4.09Å; F485-L597 HydrophobicContact CG-CD1 4.2Å; V493-L597 HydrophobicContact CG2-CD1 3.87Å; V493-L597 HydrophobicContact CG2-CG 3.98Å; A494-L597 PolarHBondContact O-N 2.75Å; T495-L597 CarbonylContact C-O 3.18Å; T495-L597 VanDerWaalsContact CA-O 3.3Å; T495-L597 WeakPolarHBondContact CA-O 3.49Å; T495-L597 HydrophobicContact CG2-CB 3.83Å; Y496-L597 PolarHBondContact N-O 3.17Å; N595-L597 VanDerWaalsContact C-N 3.28Å; N595-L597 PolarHBondContact O-N 3.03Å; L597-F620 HydrophobicContact CD2-CB 4.35Å; L597-F620 HydrophobicContact CD2-CD2 3.9Å; L597-F646 HydrophobicContact CD2-CE2 4.17Å; L597-F646 HydrophobicContact CD2-CZ 3.85Å
598	S	98.8	Very high	93.8	Very high	8 Å²	8	32.3 Å²	32.3	6%	0.056	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	119.6	172.6	-170.1	0	0	0	0	109.7	F612 F620 V622	S598-F612 WeakPolarHBondContact O-CZ 3.25Å; S598-F620 PolarHBondContact N-O 2.74Å; S598-V622 PolarHBondContact O-N 3.38Å
599	T	98.5	Very high	93.3	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	146.5	-170.6	71.2	0	0	0	0	111.8	Q478 F481 T495 Y496 E497 V622	Q478-T599 PolarHBondContact NE2-OG1 2.79Å; F481-T599 HydrophobicContact CD2-CG2 4.07Å; F481-T599 HydrophobicContact CE2-CG2 4.46Å; T495-T599 HydrophobicContact CG2-CG2 4.35Å; Y496-T599 WeakPolarHBondContact O-CB 2.88Å; Y496-T599 PolarHBondContact O-N 2.82Å; Y496-T599 PolarHBondContact O-OG1 3.28Å; E497-T599 WeakPolarHBondContact CA-OG1 3.37Å; E497-T599 WeakPolarHBondContact CB-OG1 3.38Å; T599-V622 WeakPolarHBondContact CA-O 3.48Å; T599-V622 HydrophobicContact CG2-CB 4.12Å
600	S	96.1	Very high	93	Very high	36 Å²	36	33.2 Å²	33.2	25%	0.252	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	136	173.2	-166.3	0	0	0	0	111.6	V622 G623 Y624	S600-V622 PolarHBondContact N-O 3.41Å; S600-G623 WeakPolarHBondContact O-CA 3.49Å; S600-Y624 WeakPolarHBondContact O-CD1 3.45Å; S600-Y624 PolarHBondContact O-N 3.21Å; S600-Y624 VanDerWaalsContact O-N 3.07Å
601	T	90.7	Very high	92.9	Very high	54 Å²	54	31.4 Å²	31.4	33%	0.331	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	134.9	178.4	-175	0	0	0	0	111.8	Y624	T601-Y624 WeakPolarHBondContact CA-O 3.39Å
602	L	75.1	Confident	92.9	Very high	50 Å²	50	30.7 Å²	30.7	26%	0.262	18%	0.183	S	C	.	.			trans	-136.9	79.7	179.4	-71.4	171.9	0	0	0	110.3	M145 Y624	M145-L602 HydrophobicContact CG-CD1 3.75Å; M145-L602 HydrophobicContact SD-CD1 3.68Å; M145-L602 HydrophobicContact SD-CD2 3.88Å; M145-L602 HydrophobicContact SD-CG 4.39Å; L602-Y624 PolarHBondContact N-O 2.96Å
603	T	77.7	Confident	92.9	Very high	70 Å²	70	30.7 Å²	30.7	43%	0.429	18%	0.183	S	C	.	.			trans	-97	105.2	-179.8	-57.2	0	0	0	0	111
604	S	87.3	Confident	92.9	Very high	13 Å²	13	28.1 Å²	28.1	9%	0.091	17%	0.169	C	C	.	.			trans	-148	146.4	173.7	167.1	0	0	0	0	110.8	N395 A606 V607	N395-S604 PolarHBondContact OD1-OG 2.89Å; S604-A606 PolarHBondContact O-N 2.77Å; S604-A606 PolarHBondContact OG-N 2.88Å; S604-V607 PolarHBondContact O-N 2.88Å; S604-V607 VanDerWaalsContact O-N 3.15Å
605	P	86.3	Confident	92.9	Very high	115 Å²	115	28 Å²	28	75%	0.747	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-14.8	171.4	29.3	-37	0	0	0	113.8	N148	N148-P605 PolarHBondContact ND2-O 2.83Å
606	A	93.1	Very high	92.9	Very high	2 Å²	2	27.9 Å²	27.9	2%	0.017	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-17	174.6	0	0	0	0	0	113.8	F147 N148 F398 S604	F147-A606 CarbonylContact C-O 3.59Å; F147-A606 VanDerWaalsContact CA-O 3.3Å; F147-A606 WeakPolarHBondContact CA-O 3.35Å; N148-A606 PolarHBondContact N-O 3.47Å; F398-A606 HydrophobicContact CB-CB 3.59Å; F398-A606 HydrophobicContact CD1-CB 3.64Å; F398-A606 HydrophobicContact CG-CB 3.73Å; S604-A606 PolarHBondContact O-N 2.77Å; S604-A606 PolarHBondContact OG-N 2.88Å
607	V	91.7	Very high	92.8	Very high	7 Å²	7	31.6 Å²	31.6	4%	0.042	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	129.1	-175.2	176.1	0	0	0	0	110	S146 N148 L391 S604	S146-V607 WeakPolarHBondContact O-CA 3.27Å; N148-V607 PolarHBondContact ND2-O 3.38Å; L391-V607 HydrophobicContact CD1-CG2 4.08Å; S604-V607 PolarHBondContact O-N 2.88Å; S604-V607 VanDerWaalsContact O-N 3.15Å
608	S	88.2	Confident	92.8	Very high	43 Å²	43	33.5 Å²	33.5	30%	0.301	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	-44.3	169.3	50.4	0	0	0	0	111.7	S146 F147 N148	S146-S608 WeakPolarHBondContact CB-OG 3.41Å; S146-S608 PolarHBondContact O-N 3.42Å; S146-S608 PolarHBondContact O-OG 2.9Å; F147-S608 VanDerWaalsContact C-OG 3.24Å; F147-S608 WeakPolarHBondContact O-CB 3.41Å; F147-S608 PolarHBondContact O-OG 3.37Å; N148-S608 VanDerWaalsContact OD1-CA 3.3Å; N148-S608 WeakPolarHBondContact OD1-CA 3.43Å; N148-S608 VanDerWaalsContact OD1-CB 3.24Å; N148-S608 WeakPolarHBondContact OD1-CB 3.47Å
609	L	88.3	Confident	92.8	Very high	25 Å²	25	33.1 Å²	33.1	13%	0.131	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	149.6	-173.6	-163.1	66	0	0	0	109.3	F144 S146 H345 S349 N634	F144-L609 HydrophobicContact CZ-CD2 4.46Å; S146-L609 PolarHBondContact N-O 2.88Å; H345-L609 HydrophobicContact CB-CD2 3.99Å; S349-L609 WeakPolarHBondContact OG-CD2 3.32Å; L609-N634 HydrophobicContact CD1-CB 3.89Å; L609-N634 HydrophobicContact CG-CB 4.41Å
610	G	93.5	Very high	92.8	Very high	11 Å²	11	33 Å²	33	11%	0.113	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	162.9	167.5	0	0	0	0	0	110.4	F144 N634	F144-G610 WeakPolarHBondContact O-CA 3.29Å; G610-N634 WeakPolarHBondContact O-CB 3.46Å; G610-N634 PolarHBondContact O-ND2 3.5Å
611	G	95.6	Very high	92.9	Very high	6 Å²	6	31.4 Å²	31.4	6%	0.062	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.1	158.8	178.2	0	0	0	0	0	114.7	P143 F144	P143-G611 WeakPolarHBondContact CA-O 3.29Å; P143-G611 WeakPolarHBondContact CB-O 3.36Å; F144-G611 WeakPolarHBondContact CD1-O 3.29Å; F144-G611 VanDerWaalsContact CE1-CA 3.43Å; F144-G611 PolarHBondContact N-O 2.97Å; F144-G611 PolarHBondContact O-N 3.36Å; F144-G611 VanDerWaalsContact O-N 3.1Å
612	F	98.5	Very high	93.3	Very high	35 Å²	35	28.8 Å²	28.8	15%	0.154	18%	0.179	C	C	.	.			trans	-154	160	178.4	57.1	-79.1	0	0	0	108.1	P143 S598 S636	P143-F612 HydrophobicContact CB-CB 4.01Å; S598-F612 WeakPolarHBondContact O-CZ 3.25Å; F612-S636 WeakPolarHBondContact O-CB 3.18Å; F612-S636 PolarHBondContact O-OG 2.91Å
613	A	98.6	Very high	94.3	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.008	17%	0.171	C	C	.	.			trans	-81.8	169.9	175.8	0	0	0	0	0	111.3	L139 L353 L451 S636	L139-A613 HydrophobicContact CB-CB 3.61Å; L139-A613 HydrophobicContact CD2-CB 4.28Å; L139-A613 HydrophobicContact CG-CB 4.41Å; L139-A613 VanDerWaalsContact O-CB 3.3Å; L139-A613 WeakPolarHBondContact O-CB 3.32Å; L353-A613 HydrophobicContact CD2-CB 4.43Å; L451-A613 HydrophobicContact CD1-CB 3.85Å; A613-S636 WeakPolarHBondContact CA-OG 3.3Å
614	P	98.6	Very high	95.2	Very high	1 Å²	1	24 Å²	24	1%	0.006	15%	0.152	C	C	.	.			trans	-61.5	140.6	173.2	-21.4	33.7	0	0	0	112.3	V616 G619 S636 Y638	P614-V616 VanDerWaalsContact C-N 3.28Å; P614-V616 WeakPolarHBondContact CB-O 3.45Å; P614-V616 PolarHBondContact O-N 3.2Å; P614-G619 WeakPolarHBondContact CB-O 3.41Å; P614-G619 VanDerWaalsContact CG-O 3.31Å; P614-G619 WeakPolarHBondContact CG-O 3.4Å; P614-S636 WeakPolarHBondContact CD-OG 3.3Å; P614-Y638 HydrophobicContact CB-CD2 3.83Å; P614-Y638 HydrophobicContact CB-CE2 3.89Å; P614-Y638 HydrophobicContact CG-CD2 3.75Å; P614-Y638 HydrophobicContact CG-CE2 3.97Å; P614-Y638 HydrophobicContact CG-CG 4.39Å
615	V	97.9	Very high	95.5	Very high	69 Å²	69	23.6 Å²	23.6	42%	0.418	15%	0.15	S	C	.	.	S	Bend	trans	-81.6	-5.3	176.5	-57	0	0	0	0	113.5	N595	N595-V615 HydrophobicContact CB-CG2 4.12Å
616	V	98.4	Very high	95.9	Very high	17 Å²	17	18.5 Å²	18.5	10%	0.103	12%	0.117	C	C	.	.	S	Bend	trans	-140.9	152.3	173.9	-64.5	0	0	0	0	110.6	I596 P614 D618 G619	I596-V616 HydrophobicContact CG1-CG2 4.48Å; P614-V616 VanDerWaalsContact C-N 3.28Å; P614-V616 WeakPolarHBondContact CB-O 3.45Å; P614-V616 PolarHBondContact O-N 3.2Å; V616-D618 PolarHBondContact O-N 2.98Å; V616-D618 VanDerWaalsContact O-N 3.13Å; V616-G619 PolarHBondContact O-N 2.82Å
617	P	98	Very high	95.8	Very high	100 Å²	100	20.4 Å²	20.4	65%	0.649	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-19.7	-172.5	-25.9	36.3	0	0	0	116.3	Y638	P617-Y638 WeakPolarHBondContact O-CB 3.33Å
618	D	98.3	Very high	95.8	Very high	39 Å²	39	23.5 Å²	23.5	21%	0.209	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	23.4	173.8	75.4	-58.2	0	0	0	112.4	H594 V616 A640 R641	H594-D618 IonicContact CD2-OD1 3.56Å; H594-D618 IonicContact CE1-OD1 3.31Å; H594-D618 IonicContact NE2-OD1 3.56Å; H594-D618 PolarHBondContact NE2-OD1 3.46Å; V616-D618 PolarHBondContact O-N 2.98Å; V616-D618 VanDerWaalsContact O-N 3.13Å; D618-A640 HydrophobicContact CB-CB 3.91Å; D618-R641 WeakPolarHBondContact O-CG 3.4Å; D618-R641 PolarHBondContact O-NE 2.68Å; D618-R641 IonicContact OD2-CZ 2.74Å; D618-R641 IonicContact OD2-NE 3.84Å; D618-R641 IonicContact OD2-NH2 3.55Å; D618-R641 PolarHBondContact OD2-NH2 2.94Å
619	G	98.6	Very high	96	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.154	C	C	.	.			trans	-96.9	175.8	-179.7	0	0	0	0	0	114.4	I596 P614 V616	I596-G619 CarbonylContact O-C 3.3Å; I596-G619 VanDerWaalsContact O-CA 3.23Å; I596-G619 WeakPolarHBondContact O-CA 3.48Å; P614-G619 WeakPolarHBondContact CB-O 3.41Å; P614-G619 VanDerWaalsContact CG-O 3.31Å; P614-G619 WeakPolarHBondContact CG-O 3.4Å; V616-G619 PolarHBondContact O-N 2.82Å
620	F	98.9	Very high	96.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	141.1	161.7	-65.6	-76.8	0	0	0	110.4	F485 Y489 I596 L597 S598 V622 V635 S636 A637 R641 V643 F646	F485-F620 HydrophobicContact CD2-CD2 4.32Å; F485-F620 AromaticContact CD2-CE2 4Å; F485-F620 HydrophobicContact CD2-CE2 4Å; F485-F620 HydrophobicContact CE2-CD2 4.23Å; F485-F620 AromaticContact CE2-CE2 3.9Å; F485-F620 HydrophobicContact CE2-CE2 3.9Å; Y489-F620 AromaticContact CE2-CE2 3.86Å; Y489-F620 HydrophobicContact CE2-CE2 3.86Å; Y489-F620 HydrophobicContact CE2-CZ 4.03Å; I596-F620 PolarHBondContact O-N 3.04Å; L597-F620 HydrophobicContact CD2-CB 4.35Å; L597-F620 HydrophobicContact CD2-CD2 3.9Å; S598-F620 PolarHBondContact N-O 2.74Å; F620-V622 HydrophobicContact CB-CG2 3.97Å; F620-V635 HydrophobicContact CB-CG1 4.18Å; F620-V635 HydrophobicContact CD1-CG1 3.57Å; F620-V635 HydrophobicContact CE1-CG1 4.28Å; F620-V635 HydrophobicContact CG-CG1 4.19Å; F620-S636 VanDerWaalsContact CA-O 3.26Å; F620-S636 WeakPolarHBondContact CA-O 3.12Å; F620-A637 HydrophobicContact CD1-CB 3.9Å; F620-A637 HydrophobicContact CE1-CB 4.02Å; F620-R641 HydrophobicContact CD1-CB 4.38Å; F620-R641 HydrophobicContact CE1-CB 3.76Å; F620-R641 HydrophobicContact CE2-CB 4.12Å; F620-R641 HydrophobicContact CE2-CG 4.21Å; F620-R641 HydrophobicContact CZ-CB 3.64Å; F620-R641 HydrophobicContact CZ-CG 4.24Å; F620-V643 HydrophobicContact CD1-CG1 4.31Å; F620-V643 HydrophobicContact CE1-CG1 4.2Å; F620-F646 HydrophobicContact CD1-CD1 4.47Å; F620-F646 HydrophobicContact CD2-CD2 4.35Å; F620-F646 HydrophobicContact CD2-CE2 4.39Å; F620-F646 HydrophobicContact CE1-CB 3.84Å; F620-F646 HydrophobicContact CE1-CD1 4.32Å; F620-F646 AromaticContact CE1-CG 3.98Å; F620-F646 HydrophobicContact CE1-CG 3.98Å; F620-F646 HydrophobicContact CE2-CB 4.4Å; F620-F646 AromaticContact CE2-CD2 3.71Å; F620-F646 HydrophobicContact CE2-CD2 3.71Å; F620-F646 HydrophobicContact CE2-CE2 4.11Å; F620-F646 AromaticContact CE2-CG 3.98Å; F620-F646 HydrophobicContact CE2-CG 3.98Å; F620-F646 HydrophobicContact CZ-CB 3.61Å; F620-F646 HydrophobicContact CZ-CD1 4.35Å; F620-F646 AromaticContact CZ-CD2 3.8Å; F620-F646 HydrophobicContact CZ-CD2 3.8Å; F620-F646 AromaticContact CZ-CG 3.65Å; F620-F646 HydrophobicContact CZ-CG 3.65Å
621	G	98.6	Very high	96.4	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.01	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	114.4	161.1	0	0	0	0	0	109.5	V635 S636	G621-V635 WeakPolarHBondContact O-CA 3.39Å; G621-S636 WeakPolarHBondContact CA-OG 3.27Å; G621-S636 PolarHBondContact N-O 2.91Å; G621-S636 PolarHBondContact N-OG 2.97Å; G621-S636 PolarHBondContact O-N 2.66Å; G621-S636 PolarHBondContact O-OG 2.87Å
622	V	98.4	Very high	96.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	98.8	-172.9	-176.4	0	0	0	0	110.3	F481 S598 T599 S600 F620 Y624 V635 F646	F481-V622 HydrophobicContact CD1-CG1 4.38Å; F481-V622 HydrophobicContact CD2-CG1 4.26Å; F481-V622 HydrophobicContact CE1-CG1 3.99Å; F481-V622 HydrophobicContact CE2-CG1 3.86Å; F481-V622 HydrophobicContact CZ-CG1 3.72Å; S598-V622 PolarHBondContact O-N 3.38Å; T599-V622 WeakPolarHBondContact CA-O 3.48Å; T599-V622 HydrophobicContact CG2-CB 4.12Å; S600-V622 PolarHBondContact N-O 3.41Å; F620-V622 HydrophobicContact CB-CG2 3.97Å; V622-Y624 HydrophobicContact CG1-CD1 4.45Å; V622-V635 HydrophobicContact CB-CG2 4.48Å; V622-V635 HydrophobicContact CG1-CG2 4.14Å; V622-V635 HydrophobicContact CG2-CG1 4.37Å; V622-V635 HydrophobicContact CG2-CG2 4.18Å; V622-F646 HydrophobicContact CG2-CE1 4.4Å
623	G	97	Very high	96.1	Very high	9 Å²	9	27 Å²	27	9%	0.093	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	128.8	166.2	0	0	0	0	0	110.1	S600 N634	S600-G623 WeakPolarHBondContact O-CA 3.49Å; G623-N634 PolarHBondContact N-O 2.85Å; G623-N634 PolarHBondContact O-N 2.85Å
624	Y	96	Very high	96.1	Very high	9 Å²	9	27.2 Å²	27.2	4%	0.035	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	160.8	-179.6	70.4	-80.5	0	0	0	114.2	D474 A477 Q478 F481 E497 S600 T601 L602 V622 V626 G632	D474-Y624 WeakPolarHBondContact OD1-CE2 3.48Å; D474-Y624 PolarHBondContact OD1-OH 2.87Å; A477-Y624 HydrophobicContact CB-CD2 3.76Å; A477-Y624 HydrophobicContact CB-CE2 3.72Å; Q478-Y624 PolarHBondContact NE2-OH 3.43Å; F481-Y624 AromaticContact CE2-CD1 3.75Å; F481-Y624 HydrophobicContact CE2-CD1 3.75Å; F481-Y624 HydrophobicContact CE2-CD2 4.45Å; F481-Y624 AromaticContact CE2-CE1 3.93Å; F481-Y624 HydrophobicContact CE2-CE1 3.93Å; F481-Y624 HydrophobicContact CE2-CG 4.03Å; F481-Y624 AromaticContact CZ-CD1 3.93Å; F481-Y624 HydrophobicContact CZ-CD1 3.93Å; F481-Y624 HydrophobicContact CZ-CD2 4.27Å; F481-Y624 AromaticContact CZ-CG 3.8Å; F481-Y624 HydrophobicContact CZ-CG 3.8Å; E497-Y624 PolarHBondContact OE1-OH 2.9Å; S600-Y624 WeakPolarHBondContact O-CD1 3.45Å; S600-Y624 PolarHBondContact O-N 3.21Å; S600-Y624 VanDerWaalsContact O-N 3.07Å; T601-Y624 WeakPolarHBondContact CA-O 3.39Å; L602-Y624 PolarHBondContact N-O 2.96Å; V622-Y624 HydrophobicContact CG1-CD1 4.45Å; Y624-V626 HydrophobicContact CD2-CG2 4.25Å; Y624-V626 HydrophobicContact CE2-CG2 4.5Å; Y624-G632 VanDerWaalsContact CA-O 3.3Å; Y624-G632 WeakPolarHBondContact CA-O 3.36Å; Y624-G632 WeakPolarHBondContact CB-O 3.37Å
625	G	93.6	Very high	96.1	Very high	5 Å²	5	27.2 Å²	27.2	5%	0.052	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	134.8	178	0	0	0	0	0	111.2	G632	G625-G632 PolarHBondContact N-O 2.94Å; G625-G632 PolarHBondContact O-N 2.66Å
626	V	93.5	Very high	96.1	Very high	9 Å²	9	24.1 Å²	24.1	6%	0.055	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	89.1	-179.3	-176.1	0	0	0	0	109.3	K463 P473 A477 Y624 I631	K463-V626 HydrophobicContact CB-CG1 4.08Å; P473-V626 HydrophobicContact CB-CB 4.38Å; P473-V626 HydrophobicContact CB-CG1 3.49Å; P473-V626 VanDerWaalsContact CB-CG1 3.49Å; A477-V626 HydrophobicContact CB-CG2 4.03Å; Y624-V626 HydrophobicContact CD2-CG2 4.25Å; Y624-V626 HydrophobicContact CE2-CG2 4.5Å; V626-I631 HydrophobicContact CG1-CG1 4.11Å; V626-I631 HydrophobicContact CG2-CG1 4.44Å; V626-I631 HydrophobicContact CG2-CG2 4.33Å
627	H	91.5	Very high	96.1	Very high	42 Å²	42	23.3 Å²	23.3	19%	0.194	13%	0.129	C	C	.	.			trans	-80.4	171.1	-178.3	-53.9	-95.8	0	0	0	110.2	K463 N629 W630	K463-H627 VanDerWaalsContact CB-O 3.24Å; K463-H627 WeakPolarHBondContact CB-O 3.45Å; K463-H627 PolarHBondContact N-O 3.46Å; H627-N629 VanDerWaalsContact C-N 3.34Å; H627-N629 PolarHBondContact O-N 2.86Å; H627-W630 CarbonylContact C-O 3.45Å; H627-W630 WeakPolarHBondContact CA-O 3.41Å; H627-W630 HydrophobicContact CB-CD2 4.17Å; H627-W630 HydrophobicContact CB-CG 4.13Å; H627-W630 HydrophobicContact CB-CZ2 4.39Å; H627-W630 WeakPolarHBondContact CB-O 3.48Å; H627-W630 AromaticContact CD2-CD2 3.88Å; H627-W630 AromaticContact CD2-CE2 3.56Å; H627-W630 AromaticContact CD2-CH2 3.68Å; H627-W630 AromaticContact CD2-CZ2 3.46Å; H627-W630 VanDerWaalsContact CD2-CZ2 3.46Å; H627-W630 WeakPolarHBondContact CD2-CZ2 3.26Å; H627-W630 AromaticContact CD2-CZ3 3.99Å; H627-W630 AromaticContact CE1-CZ2 3.84Å; H627-W630 AromaticContact CG-CE2 3.54Å; H627-W630 AromaticContact CG-CZ2 3.65Å; H627-W630 AromaticContact CG-NE1 3.72Å; H627-W630 PolarHBondContact N-O 3.44Å; H627-W630 AromaticContact ND1-CZ2 3.87Å; H627-W630 AromaticContact NE2-CH2 3.64Å; H627-W630 AromaticContact NE2-CZ2 3.64Å
628	D	91.4	Very high	96.2	Very high	72 Å²	72	20 Å²	20	39%	0.385	10%	0.104	S	C	.	.	S	Bend	trans	-56.1	-45.6	-172.7	-68.2	-77.9	0	0	0	113.5	G462 K463 E464	G462-D628 CarbonylContact C-O 3.49Å; K463-D628 WeakPolarHBondContact CE-OD1 3.22Å; K463-D628 PolarHBondContact N-O 3.4Å; K463-D628 VanDerWaalsContact N-O 3.15Å; K463-D628 IonicContact NZ-OD1 3.38Å; K463-D628 PolarHBondContact NZ-OD1 3.05Å; K463-D628 IonicContact NZ-OD2 3.44Å; K463-D628 PolarHBondContact NZ-OD2 3.2Å; E464-D628 HydrophobicContact CG-CB 4.28Å; E464-D628 PolarHBondContact N-O 3.22Å
629	N	93.8	Very high	96.1	Very high	103 Å²	103	23 Å²	23	55%	0.551	13%	0.126	S	C	*	.	S	Bend	trans	-118.9	2.6	-174.1	-62.7	-42	0	0	0	114.6	G461 H627	G461-N629 CarbonylContact C-O 3.5Å; G461-N629 VanDerWaalsContact C-O 3.3Å; G461-N629 VanDerWaalsContact CA-O 3.27Å; G461-N629 WeakPolarHBondContact CA-O 3.24Å; H627-N629 VanDerWaalsContact C-N 3.34Å; H627-N629 PolarHBondContact O-N 2.86Å
630	W	93.9	Very high	96.1	Very high	76 Å²	76	26 Å²	26	29%	0.288	15%	0.151	S	C	.	.			trans	-153.3	163.1	-179.8	66.6	-81.5	0	0	0	112.5	E457 F458 K459 G461 H627 G632	E457-W630 HydrophobicContact CB-CE3 4.12Å; E457-W630 HydrophobicContact CB-CZ3 4.28Å; E457-W630 HydrophobicContact CG-CE3 4.26Å; E457-W630 HydrophobicContact CG-CZ3 3.91Å; F458-W630 CarbonylContact O-C 3.56Å; F458-W630 WeakPolarHBondContact O-CA 3.38Å; F458-W630 VanDerWaalsContact O-CB 3.31Å; F458-W630 WeakPolarHBondContact O-CB 3.4Å; K459-W630 HydrophobicContact CG-CB 4.33Å; G461-W630 WeakPolarHBondContact O-CA 3.46Å; H627-W630 CarbonylContact C-O 3.45Å; H627-W630 WeakPolarHBondContact CA-O 3.41Å; H627-W630 HydrophobicContact CB-CD2 4.17Å; H627-W630 HydrophobicContact CB-CG 4.13Å; H627-W630 HydrophobicContact CB-CZ2 4.39Å; H627-W630 WeakPolarHBondContact CB-O 3.48Å; H627-W630 AromaticContact CD2-CD2 3.88Å; H627-W630 AromaticContact CD2-CE2 3.56Å; H627-W630 AromaticContact CD2-CH2 3.68Å; H627-W630 AromaticContact CD2-CZ2 3.46Å; H627-W630 VanDerWaalsContact CD2-CZ2 3.46Å; H627-W630 WeakPolarHBondContact CD2-CZ2 3.26Å; H627-W630 AromaticContact CD2-CZ3 3.99Å; H627-W630 AromaticContact CE1-CZ2 3.84Å; H627-W630 AromaticContact CG-CE2 3.54Å; H627-W630 AromaticContact CG-CZ2 3.65Å; H627-W630 AromaticContact CG-NE1 3.72Å; H627-W630 PolarHBondContact N-O 3.44Å; H627-W630 AromaticContact ND1-CZ2 3.87Å; H627-W630 AromaticContact NE2-CH2 3.64Å; H627-W630 AromaticContact NE2-CZ2 3.64Å; W630-G632 VanDerWaalsContact CZ3-CA 3.45Å
631	I	95.1	Very high	96	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	125.7	175.4	-59.8	171.1	0	0	0	108.9	F458 L466 V626 L654 F658	F458-I631 HydrophobicContact CB-CB 4.3Å; F458-I631 HydrophobicContact CD1-CB 4.46Å; F458-I631 HydrophobicContact CD1-CD1 4.29Å; F458-I631 PolarHBondContact N-O 2.96Å; F458-I631 PolarHBondContact O-N 2.58Å; L466-I631 HydrophobicContact CD1-CD1 4.42Å; V626-I631 HydrophobicContact CG1-CG1 4.11Å; V626-I631 HydrophobicContact CG2-CG1 4.44Å; V626-I631 HydrophobicContact CG2-CG2 4.33Å; I631-L654 HydrophobicContact CB-CD1 4.47Å; I631-L654 HydrophobicContact CD1-CD1 4.37Å; I631-L654 HydrophobicContact CD1-CD2 3.91Å; I631-L654 HydrophobicContact CG2-CD1 4.36Å; I631-F658 HydrophobicContact CD1-CE2 4.16Å; I631-F658 HydrophobicContact CD1-CZ 4.28Å
632	G	93.6	Very high	96	Very high	11 Å²	11	30.9 Å²	30.9	11%	0.113	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	137.8	176.1	0	0	0	0	0	111.4	Y624 G625 W630	Y624-G632 VanDerWaalsContact CA-O 3.3Å; Y624-G632 WeakPolarHBondContact CA-O 3.36Å; Y624-G632 WeakPolarHBondContact CB-O 3.37Å; G625-G632 PolarHBondContact N-O 2.94Å; G625-G632 PolarHBondContact O-N 2.66Å; W630-G632 VanDerWaalsContact CZ3-CA 3.45Å
633	C	95.6	Very high	96	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.02	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	133	172.8	-65.9	0	0	0	0	110	A455 I456 L647	A455-C633 CarbonylContact C-O 3.51Å; A455-C633 WeakPolarHBondContact CA-O 3.23Å; A455-C633 WeakPolarHBondContact CB-O 3.44Å; I456-C633 HydrophobicContact CG1-CB 4.04Å; I456-C633 PolarHBondContact N-O 3.13Å; I456-C633 PolarHBondContact O-N 3.44Å; I456-C633 VanDerWaalsContact O-N 3.08Å; C633-L647 HydrophobicContact CB-CD2 4.22Å
634	N	97.1	Very high	96	Very high	5 Å²	5	35.2 Å²	35.2	3%	0.027	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	115.8	172.8	-166.5	20.4	0	0	0	107.7	S349 I453 L609 G610 G623	S349-N634 PolarHBondContact OG-ND2 2.81Å; S349-N634 PolarHBondContact OG-OD1 3.38Å; I453-N634 VanDerWaalsContact CG2-OD1 3.3Å; I453-N634 WeakPolarHBondContact CG2-OD1 3.47Å; L609-N634 HydrophobicContact CD1-CB 3.89Å; L609-N634 HydrophobicContact CG-CB 4.41Å; G610-N634 WeakPolarHBondContact O-CB 3.46Å; G610-N634 PolarHBondContact O-ND2 3.5Å; G623-N634 PolarHBondContact N-O 2.85Å; G623-N634 PolarHBondContact O-N 2.85Å
635	V	98.4	Very high	96.2	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	125.8	-169.8	179.9	0	0	0	0	110.5	I453 A454 F620 G621 V622 V643 F646 L647	I453-V635 WeakPolarHBondContact CA-O 3.35Å; A454-V635 PolarHBondContact N-O 3.25Å; A454-V635 PolarHBondContact O-N 2.68Å; F620-V635 HydrophobicContact CB-CG1 4.18Å; F620-V635 HydrophobicContact CD1-CG1 3.57Å; F620-V635 HydrophobicContact CE1-CG1 4.28Å; F620-V635 HydrophobicContact CG-CG1 4.19Å; G621-V635 WeakPolarHBondContact O-CA 3.39Å; V622-V635 HydrophobicContact CB-CG2 4.48Å; V622-V635 HydrophobicContact CG1-CG2 4.14Å; V622-V635 HydrophobicContact CG2-CG1 4.37Å; V622-V635 HydrophobicContact CG2-CG2 4.18Å; V635-V643 HydrophobicContact CG1-CB 4.48Å; V635-V643 HydrophobicContact CG1-CG1 4.1Å; V635-F646 HydrophobicContact CG1-CD1 3.96Å; V635-F646 HydrophobicContact CG1-CE1 4.33Å; V635-F646 HydrophobicContact CG2-CD1 4.31Å; V635-F646 HydrophobicContact CG2-CE1 4.29Å; V635-L647 HydrophobicContact CB-CD1 4.35Å; V635-L647 HydrophobicContact CB-CD2 4.09Å; V635-L647 HydrophobicContact CB-CG 4.27Å; V635-L647 HydrophobicContact CG2-CD2 3.58Å; V635-L647 HydrophobicContact CG2-CG 4.26Å
636	S	98.7	Very high	96.4	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.021	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	149.6	174.1	64.3	0	0	0	0	111.4	T452 F612 A613 P614 F620 G621	T452-S636 CarbonylContact O-C 3.59Å; T452-S636 VanDerWaalsContact O-CA 3.29Å; T452-S636 WeakPolarHBondContact O-CA 3.07Å; F612-S636 WeakPolarHBondContact O-CB 3.18Å; F612-S636 PolarHBondContact O-OG 2.91Å; A613-S636 WeakPolarHBondContact CA-OG 3.3Å; P614-S636 WeakPolarHBondContact CD-OG 3.3Å; F620-S636 VanDerWaalsContact CA-O 3.26Å; F620-S636 WeakPolarHBondContact CA-O 3.12Å; G621-S636 WeakPolarHBondContact CA-OG 3.27Å; G621-S636 PolarHBondContact N-O 2.91Å; G621-S636 PolarHBondContact N-OG 2.97Å; G621-S636 PolarHBondContact O-N 2.66Å; G621-S636 PolarHBondContact O-OG 2.87Å
637	A	98.7	Very high	96.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	158.3	170.9	0	0	0	0	0	112.5	L451 T452 F620 R641 V643	L451-A637 WeakPolarHBondContact CA-O 3.23Å; T452-A637 PolarHBondContact N-O 2.99Å; T452-A637 PolarHBondContact O-N 3.39Å; F620-A637 HydrophobicContact CD1-CB 3.9Å; F620-A637 HydrophobicContact CE1-CB 4.02Å; A637-R641 HydrophobicContact CB-CB 4.01Å; A637-V643 HydrophobicContact CB-CG1 3.37Å
638	Y	98.6	Very high	97	Very high	32 Å²	32	42.6 Å²	42.6	13%	0.125	22%	0.224	C	C	.	.			trans	-94.1	169.6	161.1	-66.1	-58.3	0	0	0	110.2	L139 K450 L451 P614 P617 A640 R641	L139-Y638 WeakPolarHBondContact CB-OH 3.4Å; L139-Y638 HydrophobicContact CD1-CE1 4.21Å; K450-Y638 HydrophobicContact CB-CD1 4.28Å; L451-Y638 HydrophobicContact CB-CE1 4.48Å; L451-Y638 HydrophobicContact CD1-CD1 4.15Å; L451-Y638 HydrophobicContact CD1-CE1 3.84Å; P614-Y638 HydrophobicContact CB-CD2 3.83Å; P614-Y638 HydrophobicContact CB-CE2 3.89Å; P614-Y638 HydrophobicContact CG-CD2 3.75Å; P614-Y638 HydrophobicContact CG-CE2 3.97Å; P614-Y638 HydrophobicContact CG-CG 4.39Å; P617-Y638 WeakPolarHBondContact O-CB 3.33Å; Y638-A640 PolarHBondContact O-N 3.27Å; Y638-R641 PolarHBondContact O-N 2.97Å
639	P	98.1	Very high	97.3	Very high	101 Å²	101	40.1 Å²	40.1	66%	0.656	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-7.4	-163.5	-24.3	36.7	0	0	0	116.3	K450 R641	K450-P639 HydrophobicContact CB-CG 4.02Å; K450-P639 HydrophobicContact CG-CG 4.45Å; K450-P639 VanDerWaalsContact O-CD 3.24Å; K450-P639 WeakPolarHBondContact O-CD 3.37Å; K450-P639 WeakPolarHBondContact O-CG 3.43Å; P639-R641 VanDerWaalsContact C-N 3.28Å
640	A	97.1	Very high	97.6	Very high	64 Å²	64	35.2 Å²	35.2	53%	0.529	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-6.4	172.8	0	0	0	0	0	113.9	D618 Y638	D618-A640 HydrophobicContact CB-CB 3.91Å; Y638-A640 PolarHBondContact O-N 3.27Å
641	R	97.9	Very high	97.8	Very high	37 Å²	37	34.7 Å²	34.7	14%	0.14	19%	0.187	C	C	.	.	S	Bend	trans	-138.4	145.5	177.9	-59.1	-67.1	177.5	-167.6	-7.1	112	Y489 D618 F620 A637 Y638 P639	Y489-R641 VanDerWaalsContact CD1-NH1 3.29Å; Y489-R641 VanDerWaalsContact CZ-CD 3.48Å; Y489-R641 WeakPolarHBondContact OH-CA 3.44Å; Y489-R641 WeakPolarHBondContact OH-CD 3.47Å; D618-R641 WeakPolarHBondContact O-CG 3.4Å; D618-R641 PolarHBondContact O-NE 2.68Å; D618-R641 IonicContact OD2-CZ 2.74Å; D618-R641 IonicContact OD2-NE 3.84Å; D618-R641 IonicContact OD2-NH2 3.55Å; D618-R641 PolarHBondContact OD2-NH2 2.94Å; F620-R641 HydrophobicContact CD1-CB 4.38Å; F620-R641 HydrophobicContact CE1-CB 3.76Å; F620-R641 HydrophobicContact CE2-CB 4.12Å; F620-R641 HydrophobicContact CE2-CG 4.21Å; F620-R641 HydrophobicContact CZ-CB 3.64Å; F620-R641 HydrophobicContact CZ-CG 4.24Å; A637-R641 HydrophobicContact CB-CB 4.01Å; Y638-R641 PolarHBondContact O-N 2.97Å; P639-R641 VanDerWaalsContact C-N 3.28Å
642	N	98.3	Very high	97.9	Very high	65 Å²	65	37.9 Å²	37.9	35%	0.348	20%	0.201	S	C	.	.			trans	-103	108	-179.1	176.9	8.6	0	0	0	111.9	Q488 Y489 H644 E645 F646	Q488-N642 PolarHBondContact NE2-O 3.34Å; Y489-N642 PolarHBondContact OH-N 3.2Å; Y489-N642 VanDerWaalsContact OH-N 3.16Å; N642-H644 PolarHBondContact OD1-N 3Å; N642-E645 HydrophobicContact CB-CB 4.41Å; N642-E645 WeakPolarHBondContact ND2-CB 3.43Å; N642-E645 PolarHBondContact ND2-OE2 3.45Å; N642-F646 WeakPolarHBondContact O-CB 3.15Å; N642-F646 PolarHBondContact O-N 2.71Å; N642-F646 VanDerWaalsContact O-N 3.14Å
643	V	97.8	Very high	98.2	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.006	20%	0.196	C	C	.	.	H	α-helix	trans	-65.3	-35.2	179.9	-61.9	0	0	0	0	114	T452 A454 F620 V635 A637 F646 L647	T452-V643 HydrophobicContact CG2-CG2 3.56Å; A454-V643 HydrophobicContact CB-CB 4.11Å; A454-V643 HydrophobicContact CB-CG2 3.56Å; F620-V643 HydrophobicContact CD1-CG1 4.31Å; F620-V643 HydrophobicContact CE1-CG1 4.2Å; V635-V643 HydrophobicContact CG1-CB 4.48Å; V635-V643 HydrophobicContact CG1-CG1 4.1Å; A637-V643 HydrophobicContact CB-CG1 3.37Å; V643-F646 PolarHBondContact O-N 2.75Å; V643-L647 WeakPolarHBondContact O-CB 3.33Å; V643-L647 VanDerWaalsContact O-CG 3.24Å; V643-L647 WeakPolarHBondContact O-CG 3.33Å; V643-L647 PolarHBondContact O-N 3.42Å
644	H	98.1	Very high	98.3	Very high	99 Å²	99	37.3 Å²	37.3	46%	0.458	20%	0.195	S	C	.	.	H	α-helix	trans	-70	-46.8	-172	-62.1	99.5	0	0	0	110.9	N642 L647 Q648	N642-H644 PolarHBondContact OD1-N 3Å; H644-L647 PolarHBondContact O-N 2.81Å; H644-Q648 VanDerWaalsContact O-CG 3.3Å; H644-Q648 WeakPolarHBondContact O-CG 3.46Å; H644-Q648 PolarHBondContact O-N 3.24Å
645	E	98.6	Very high	98.4	Very high	78 Å²	78	40.6 Å²	40.6	36%	0.364	21%	0.21	S	C	.	.	H	α-helix	trans	-69.1	-36.3	174.8	176.9	-172.7	-155.7	0	0	111.9	Q488 N642 L647 Q648 C649	Q488-E645 HydrophobicContact CG-CG 3.9Å; Q488-E645 VanDerWaalsContact NE2-CD 3.3Å; Q488-E645 PolarHBondContact NE2-OE2 3.48Å; N642-E645 HydrophobicContact CB-CB 4.41Å; N642-E645 WeakPolarHBondContact ND2-CB 3.43Å; N642-E645 PolarHBondContact ND2-OE2 3.45Å; E645-L647 VanDerWaalsContact C-N 3.33Å; E645-L647 PolarHBondContact O-N 3.36Å; E645-Q648 PolarHBondContact O-N 2.86Å; E645-C649 WeakPolarHBondContact O-CB 3.36Å; E645-C649 PolarHBondContact O-N 3.13Å; E645-C649 PolarHBondContact O-SG 3.38Å
646	F	98.8	Very high	98.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-59.2	-47	172.4	-176.4	-106.3	0	0	0	110.9	F481 A484 F485 Q488 L597 F620 V622 V635 N642 V643 C649 V650	F481-F646 HydrophobicContact CB-CZ 4.36Å; A484-F646 HydrophobicContact CB-CD2 4.17Å; A484-F646 HydrophobicContact CB-CE2 3.79Å; A484-F646 HydrophobicContact CB-CZ 4.2Å; F485-F646 HydrophobicContact CB-CE2 4.17Å; F485-F646 HydrophobicContact CD2-CE2 4.24Å; Q488-F646 VanDerWaalsContact OE1-CA 3.26Å; Q488-F646 VanDerWaalsContact OE1-CB 3.23Å; L597-F646 HydrophobicContact CD2-CE2 4.17Å; L597-F646 HydrophobicContact CD2-CZ 3.85Å; F620-F646 HydrophobicContact CD1-CD1 4.47Å; F620-F646 HydrophobicContact CD2-CD2 4.35Å; F620-F646 HydrophobicContact CD2-CE2 4.39Å; F620-F646 HydrophobicContact CE1-CB 3.84Å; F620-F646 HydrophobicContact CE1-CD1 4.32Å; F620-F646 AromaticContact CE1-CG 3.98Å; F620-F646 HydrophobicContact CE1-CG 3.98Å; F620-F646 HydrophobicContact CE2-CB 4.4Å; F620-F646 AromaticContact CE2-CD2 3.71Å; F620-F646 HydrophobicContact CE2-CD2 3.71Å; F620-F646 HydrophobicContact CE2-CE2 4.11Å; F620-F646 AromaticContact CE2-CG 3.98Å; F620-F646 HydrophobicContact CE2-CG 3.98Å; F620-F646 HydrophobicContact CZ-CB 3.61Å; F620-F646 HydrophobicContact CZ-CD1 4.35Å; F620-F646 AromaticContact CZ-CD2 3.8Å; F620-F646 HydrophobicContact CZ-CD2 3.8Å; F620-F646 AromaticContact CZ-CG 3.65Å; F620-F646 HydrophobicContact CZ-CG 3.65Å; V622-F646 HydrophobicContact CG2-CE1 4.4Å; V635-F646 HydrophobicContact CG1-CD1 3.96Å; V635-F646 HydrophobicContact CG1-CE1 4.33Å; V635-F646 HydrophobicContact CG2-CD1 4.31Å; V635-F646 HydrophobicContact CG2-CE1 4.29Å; N642-F646 WeakPolarHBondContact O-CB 3.15Å; N642-F646 PolarHBondContact O-N 2.71Å; N642-F646 VanDerWaalsContact O-N 3.14Å; V643-F646 PolarHBondContact O-N 2.75Å; F646-C649 CarbonylContact O-C 3.48Å; F646-C649 WeakPolarHBondContact O-CA 3.25Å; F646-C649 WeakPolarHBondContact O-CB 3.34Å; F646-C649 PolarHBondContact O-N 2.9Å; F646-C649 VanDerWaalsContact O-N 3.12Å; F646-V650 HydrophobicContact CD1-CG2 4.02Å; F646-V650 HydrophobicContact CE1-CG2 3.67Å; F646-V650 HydrophobicContact CZ-CG2 3.97Å; F646-V650 WeakPolarHBondContact O-CG2 3.48Å; F646-V650 PolarHBondContact O-N 2.88Å
647	L	98.5	Very high	98.4	Very high	6 Å²	6	40.7 Å²	40.7	3%	0.031	21%	0.21	C	C	.	.	H	α-helix	trans	-68.2	-35.1	179.2	-74	170.4	0	0	0	113.2	A454 I456 C633 V635 V643 H644 E645 C649 V650 H651	A454-L647 VanDerWaalsContact C-CD1 3.42Å; A454-L647 HydrophobicContact CB-CD1 3.41Å; A454-L647 VanDerWaalsContact CB-CD1 3.41Å; A454-L647 WeakPolarHBondContact O-CD1 3.46Å; I456-L647 HydrophobicContact CD1-CB 4.47Å; I456-L647 HydrophobicContact CD1-CD2 3.96Å; I456-L647 HydrophobicContact CG1-CD2 3.96Å; I456-L647 HydrophobicContact CG2-CB 3.87Å; I456-L647 HydrophobicContact CG2-CD1 4.28Å; I456-L647 HydrophobicContact CG2-CD2 4.22Å; I456-L647 HydrophobicContact CG2-CG 4.36Å; C633-L647 HydrophobicContact CB-CD2 4.22Å; V635-L647 HydrophobicContact CB-CD1 4.35Å; V635-L647 HydrophobicContact CB-CD2 4.09Å; V635-L647 HydrophobicContact CB-CG 4.27Å; V635-L647 HydrophobicContact CG2-CD2 3.58Å; V635-L647 HydrophobicContact CG2-CG 4.26Å; V643-L647 WeakPolarHBondContact O-CB 3.33Å; V643-L647 VanDerWaalsContact O-CG 3.24Å; V643-L647 WeakPolarHBondContact O-CG 3.33Å; V643-L647 PolarHBondContact O-N 3.42Å; H644-L647 PolarHBondContact O-N 2.81Å; E645-L647 VanDerWaalsContact C-N 3.33Å; E645-L647 PolarHBondContact O-N 3.36Å; L647-C649 VanDerWaalsContact C-N 3.31Å; L647-V650 PolarHBondContact O-N 2.62Å; L647-H651 WeakPolarHBondContact O-CB 3.27Å; L647-H651 PolarHBondContact O-N 3.19Å
648	Q	98.6	Very high	98.3	Very high	136 Å²	136	40.7 Å²	40.7	64%	0.636	21%	0.21	S	C	*	.	H	α-helix	trans	-60.3	-43	168	-72.5	166.7	-5.9	0	0	110.9	H644 E645 H651 K652	H644-Q648 VanDerWaalsContact O-CG 3.3Å; H644-Q648 WeakPolarHBondContact O-CG 3.46Å; H644-Q648 PolarHBondContact O-N 3.24Å; E645-Q648 PolarHBondContact O-N 2.86Å; Q648-H651 PolarHBondContact O-N 3.19Å; Q648-K652 PolarHBondContact O-N 2.97Å
649	C	98.8	Very high	98.2	Very high	21 Å²	21	40.4 Å²	40.4	14%	0.142	21%	0.213	C	C	.	.	H	α-helix	trans	-67.8	-33.6	175.9	-68.3	0	0	0	0	113	A484 R487 E645 F646 L647 S653	A484-C649 HydrophobicContact CB-CB 3.81Å; R487-C649 HydrophobicContact CB-CB 4.05Å; E645-C649 WeakPolarHBondContact O-CB 3.36Å; E645-C649 PolarHBondContact O-N 3.13Å; E645-C649 PolarHBondContact O-SG 3.38Å; F646-C649 CarbonylContact O-C 3.48Å; F646-C649 WeakPolarHBondContact O-CA 3.25Å; F646-C649 WeakPolarHBondContact O-CB 3.34Å; F646-C649 PolarHBondContact O-N 2.9Å; F646-C649 VanDerWaalsContact O-N 3.12Å; L647-C649 VanDerWaalsContact C-N 3.31Å; C649-S653 WeakPolarHBondContact O-CB 3.15Å; C649-S653 PolarHBondContact O-N 2.88Å; C649-S653 PolarHBondContact O-OG 3.36Å
650	V	98.8	Very high	98.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-66.4	-47.2	170.6	172.9	0	0	0	0	110.3	I456 F481 A484 F646 L647 S653 L654	I456-V650 HydrophobicContact CD1-CB 4.28Å; I456-V650 HydrophobicContact CD1-CG1 4.02Å; F481-V650 HydrophobicContact CD1-CG1 4.28Å; F481-V650 HydrophobicContact CD1-CG2 3.98Å; F481-V650 HydrophobicContact CE1-CG1 4.2Å; A484-V650 HydrophobicContact CB-CB 4.21Å; A484-V650 HydrophobicContact CB-CG2 3.41Å; A484-V650 VanDerWaalsContact CB-CG2 3.41Å; F646-V650 HydrophobicContact CD1-CG2 4.02Å; F646-V650 HydrophobicContact CE1-CG2 3.67Å; F646-V650 HydrophobicContact CZ-CG2 3.97Å; F646-V650 WeakPolarHBondContact O-CG2 3.48Å; F646-V650 PolarHBondContact O-N 2.88Å; L647-V650 PolarHBondContact O-N 2.62Å; V650-S653 WeakPolarHBondContact O-CB 2.93Å; V650-S653 PolarHBondContact O-N 3.01Å; V650-L654 HydrophobicContact CG1-CD1 4.06Å; V650-L654 HydrophobicContact CG1-CG 4.46Å; V650-L654 WeakPolarHBondContact O-CG 3.39Å; V650-L654 PolarHBondContact O-N 3.45Å
651	H	98.6	Very high	98.1	Very high	64 Å²	64	33 Å²	33	30%	0.296	16%	0.159	S	C	.	.	H	α-helix	trans	-57.4	-53.4	178.5	-169.5	-80.3	0	0	0	111.3	I456 F458 L647 Q648 S653 L654 E655	I456-H651 HydrophobicContact CD1-CB 4.3Å; F458-H651 AromaticContact CD2-NE2 3.89Å; L647-H651 WeakPolarHBondContact O-CB 3.27Å; L647-H651 PolarHBondContact O-N 3.19Å; Q648-H651 PolarHBondContact O-N 3.19Å; H651-S653 VanDerWaalsContact C-N 3.29Å; H651-S653 PolarHBondContact O-N 2.88Å; H651-L654 PolarHBondContact O-N 3.08Å; H651-L654 VanDerWaalsContact O-N 3.11Å; H651-E655 IonicContact CE1-OE1 3.7Å; H651-E655 PolarHBondContact CE1-OE1 2.8Å; H651-E655 IonicContact CE1-OE2 2.77Å; H651-E655 IonicContact ND1-OE1 3.12Å; H651-E655 IonicContact ND1-OE2 2.74Å; H651-E655 PolarHBondContact ND1-OE2 3.3Å; H651-E655 WeakPolarHBondContact O-CG 3.26Å; H651-E655 PolarHBondContact O-N 3.3Å
652	K	98.4	Very high	98	Very high	69 Å²	69	34.3 Å²	34.3	30%	0.3	17%	0.167	S	C	.	.	H	α-helix	trans	-58.6	-40.7	176.3	176.6	54	174.3	163.6	0	111.9	Q648 L654 E655 D656	Q648-K652 PolarHBondContact O-N 2.97Å; K652-L654 VanDerWaalsContact C-N 3.34Å; K652-L654 PolarHBondContact O-N 3.47Å; K652-E655 WeakPolarHBondContact CA-OE2 3.49Å; K652-E655 PolarHBondContact O-N 2.77Å; K652-D656 WeakPolarHBondContact CE-OD1 3.21Å; K652-D656 WeakPolarHBondContact CE-OD2 3.44Å; K652-D656 IonicContact NZ-OD1 3.35Å; K652-D656 PolarHBondContact NZ-OD1 2.6Å; K652-D656 IonicContact NZ-OD2 3.68Å; K652-D656 WeakPolarHBondContact O-CB 3.33Å; K652-D656 PolarHBondContact O-N 2.92Å; K652-D656 VanDerWaalsContact O-OD2 3.13Å
653	S	98.6	Very high	97.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62.8	-39	176.6	-62.3	0	0	0	0	112.6	M483 C649 V650 H651 I657	M483-S653 VanDerWaalsContact CB-OG 3.31Å; M483-S653 WeakPolarHBondContact CB-OG 3.34Å; C649-S653 WeakPolarHBondContact O-CB 3.15Å; C649-S653 PolarHBondContact O-N 2.88Å; C649-S653 PolarHBondContact O-OG 3.36Å; V650-S653 WeakPolarHBondContact O-CB 2.93Å; V650-S653 PolarHBondContact O-N 3.01Å; H651-S653 VanDerWaalsContact C-N 3.29Å; H651-S653 PolarHBondContact O-N 2.88Å; S653-I657 WeakPolarHBondContact O-CD1 3.21Å; S653-I657 WeakPolarHBondContact O-CG1 3.31Å; S653-I657 PolarHBondContact O-N 3.13Å; S653-I657 VanDerWaalsContact O-N 3.07Å
654	L	98.6	Very high	97.7	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-69.2	-40.4	172.7	-68.7	172.4	0	0	0	111.9	F458 I631 V650 H651 K652 D656 I657 F658	F458-L654 HydrophobicContact CB-CD1 3.79Å; F458-L654 HydrophobicContact CD1-CB 4.12Å; F458-L654 HydrophobicContact CD1-CD1 4.09Å; F458-L654 HydrophobicContact CD2-CB 3.67Å; F458-L654 HydrophobicContact CD2-CD1 4.15Å; F458-L654 HydrophobicContact CE1-CB 3.98Å; F458-L654 HydrophobicContact CE2-CB 3.5Å; F458-L654 HydrophobicContact CG-CB 3.96Å; F458-L654 HydrophobicContact CG-CD1 3.75Å; F458-L654 HydrophobicContact CG-CG 4.49Å; F458-L654 HydrophobicContact CZ-CB 3.64Å; I631-L654 HydrophobicContact CB-CD1 4.47Å; I631-L654 HydrophobicContact CD1-CD1 4.37Å; I631-L654 HydrophobicContact CD1-CD2 3.91Å; I631-L654 HydrophobicContact CG2-CD1 4.36Å; V650-L654 HydrophobicContact CG1-CD1 4.06Å; V650-L654 HydrophobicContact CG1-CG 4.46Å; V650-L654 WeakPolarHBondContact O-CG 3.39Å; V650-L654 PolarHBondContact O-N 3.45Å; H651-L654 PolarHBondContact O-N 3.08Å; H651-L654 VanDerWaalsContact O-N 3.11Å; K652-L654 VanDerWaalsContact C-N 3.34Å; K652-L654 PolarHBondContact O-N 3.47Å; L654-D656 VanDerWaalsContact C-N 3.33Å; L654-D656 PolarHBondContact O-N 3.19Å; L654-I657 PolarHBondContact O-N 3.48Å; L654-F658 WeakPolarHBondContact O-CB 3.27Å; L654-F658 VanDerWaalsContact O-CD2 3.24Å; L654-F658 WeakPolarHBondContact O-CD2 3.48Å; L654-F658 PolarHBondContact O-N 3.24Å
655	E	98.2	Very high	97.3	Very high	75 Å²	75	38.4 Å²	38.4	35%	0.35	20%	0.203	S	C	.	.	H	α-helix	trans	-58.6	-43.5	174.5	-70.9	177.8	116.8	0	0	112.3	F458 H651 K652 S659	F458-E655 HydrophobicContact CE2-CG 3.82Å; H651-E655 IonicContact CE1-OE1 3.7Å; H651-E655 PolarHBondContact CE1-OE1 2.8Å; H651-E655 IonicContact CE1-OE2 2.77Å; H651-E655 IonicContact ND1-OE1 3.12Å; H651-E655 IonicContact ND1-OE2 2.74Å; H651-E655 PolarHBondContact ND1-OE2 3.3Å; H651-E655 WeakPolarHBondContact O-CG 3.26Å; H651-E655 PolarHBondContact O-N 3.3Å; K652-E655 WeakPolarHBondContact CA-OE2 3.49Å; K652-E655 PolarHBondContact O-N 2.77Å; E655-S659 WeakPolarHBondContact O-CB 3.37Å; E655-S659 PolarHBondContact O-N 3.16Å; E655-S659 PolarHBondContact O-OG 3.19Å
656	D	98.3	Very high	96.8	Very high	6 Å²	6	36.1 Å²	36.1	3%	0.032	19%	0.193	C	C	.	.	H	α-helix	trans	-65.2	-50.3	178.3	-66.4	-29.5	0	0	0	111.4	R487 F526 K652 L654 F658 S659 V660 L666	R487-D656 IonicContact CZ-OD2 3.83Å; R487-D656 IonicContact NE-OD2 3.99Å; R487-D656 IonicContact NH2-OD2 2.97Å; R487-D656 PolarHBondContact NH2-OD2 3.11Å; F526-D656 HydrophobicContact CD1-CB 3.94Å; F526-D656 HydrophobicContact CE1-CB 4.29Å; K652-D656 WeakPolarHBondContact CE-OD1 3.21Å; K652-D656 WeakPolarHBondContact CE-OD2 3.44Å; K652-D656 IonicContact NZ-OD1 3.35Å; K652-D656 PolarHBondContact NZ-OD1 2.6Å; K652-D656 IonicContact NZ-OD2 3.68Å; K652-D656 WeakPolarHBondContact O-CB 3.33Å; K652-D656 PolarHBondContact O-N 2.92Å; K652-D656 VanDerWaalsContact O-OD2 3.13Å; L654-D656 VanDerWaalsContact C-N 3.33Å; L654-D656 PolarHBondContact O-N 3.19Å; D656-F658 VanDerWaalsContact C-N 3.35Å; D656-F658 PolarHBondContact O-N 3.09Å; D656-S659 PolarHBondContact O-N 2.85Å; D656-V660 PolarHBondContact O-N 2.86Å; D656-L666 HydrophobicContact CB-CD2 3.71Å
657	I	98.4	Very high	95.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-57.1	-48.2	176.5	-68.9	165.1	0	0	0	110.5	I476 L479 M483 F526 L542 S653 L654 S659 V660 V661	I476-I657 HydrophobicContact CD1-CG2 4.23Å; I476-I657 HydrophobicContact CG2-CD1 4.36Å; I476-I657 HydrophobicContact CG2-CG2 3.91Å; L479-I657 HydrophobicContact CD2-CD1 4.24Å; L479-I657 HydrophobicContact CG-CD1 4.32Å; M483-I657 HydrophobicContact CE-CD1 4.41Å; M483-I657 HydrophobicContact CE-CG1 4.19Å; M483-I657 HydrophobicContact SD-CD1 3.78Å; M483-I657 HydrophobicContact SD-CG1 3.95Å; F526-I657 HydrophobicContact CE1-CG1 4.25Å; L542-I657 HydrophobicContact CD1-CG2 4.13Å; L542-I657 HydrophobicContact CD2-CG1 4.16Å; L542-I657 HydrophobicContact CD2-CG2 4.13Å; S653-I657 WeakPolarHBondContact O-CD1 3.21Å; S653-I657 WeakPolarHBondContact O-CG1 3.31Å; S653-I657 PolarHBondContact O-N 3.13Å; S653-I657 VanDerWaalsContact O-N 3.07Å; L654-I657 PolarHBondContact O-N 3.48Å; I657-S659 VanDerWaalsContact C-N 3.3Å; I657-S659 PolarHBondContact O-N 3.47Å; I657-V660 PolarHBondContact O-N 3.24Å; I657-V661 HydrophobicContact CG2-CG2 4.41Å; I657-V661 WeakPolarHBondContact O-CB 3.37Å; I657-V661 VanDerWaalsContact O-CG2 3.3Å; I657-V661 WeakPolarHBondContact O-CG2 3.49Å; I657-V661 PolarHBondContact O-N 3.41Å
658	F	97.7	Very high	95.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-67.3	-31.3	-178.9	-86.1	-111.1	0	0	0	112.3	F458 K460 Q465 L466 I631 L654 D656 V661 E662	F458-F658 HydrophobicContact CE1-CD1 4.1Å; F458-F658 AromaticContact CE1-CD2 3.63Å; F458-F658 HydrophobicContact CE1-CD2 3.63Å; F458-F658 HydrophobicContact CE1-CE1 4.11Å; F458-F658 AromaticContact CE1-CE2 3.61Å; F458-F658 HydrophobicContact CE1-CE2 3.61Å; F458-F658 AromaticContact CE1-CG 3.88Å; F458-F658 HydrophobicContact CE1-CG 3.88Å; F458-F658 AromaticContact CE1-CZ 3.86Å; F458-F658 HydrophobicContact CE1-CZ 3.86Å; F458-F658 HydrophobicContact CZ-CB 4.2Å; F458-F658 HydrophobicContact CZ-CD1 4.39Å; F458-F658 AromaticContact CZ-CD2 3.78Å; F458-F658 HydrophobicContact CZ-CD2 3.78Å; F458-F658 HydrophobicContact CZ-CE2 4.23Å; F458-F658 AromaticContact CZ-CG 3.85Å; F458-F658 HydrophobicContact CZ-CG 3.85Å; K460-F658 HydrophobicContact CD-CB 4.15Å; Q465-F658 HydrophobicContact CB-CE1 4.21Å; Q465-F658 HydrophobicContact CG-CD1 4.42Å; Q465-F658 HydrophobicContact CG-CE1 4.18Å; L466-F658 HydrophobicContact CD1-CE2 4.19Å; L466-F658 HydrophobicContact CD1-CZ 3.94Å; L466-F658 HydrophobicContact CD2-CE1 4.42Å; L466-F658 HydrophobicContact CD2-CE2 3.89Å; L466-F658 HydrophobicContact CD2-CZ 3.78Å; L466-F658 HydrophobicContact CG-CE2 4.28Å; L466-F658 HydrophobicContact CG-CZ 3.8Å; I631-F658 HydrophobicContact CD1-CE2 4.16Å; I631-F658 HydrophobicContact CD1-CZ 4.28Å; L654-F658 WeakPolarHBondContact O-CB 3.27Å; L654-F658 VanDerWaalsContact O-CD2 3.24Å; L654-F658 WeakPolarHBondContact O-CD2 3.48Å; L654-F658 PolarHBondContact O-N 3.24Å; D656-F658 VanDerWaalsContact C-N 3.35Å; D656-F658 PolarHBondContact O-N 3.09Å; F658-V661 PolarHBondContact O-N 3.42Å; F658-E662 WeakPolarHBondContact O-CB 3.32Å; F658-E662 VanDerWaalsContact O-CG 3.27Å; F658-E662 WeakPolarHBondContact O-CG 3.35Å; F658-E662 PolarHBondContact O-N 2.9Å
659	S	96.8	Very high	95	Very high	25 Å²	25	40.5 Å²	40.5	18%	0.175	23%	0.234	C	C	.	.	H	α-helix	trans	-69.1	-42.2	175.3	-57.7	0	0	0	0	111.9	K460 E655 D656 I657 V661 E662 G663 K664	K460-S659 PolarHBondContact NZ-OG 2.81Å; K460-S659 VanDerWaalsContact NZ-OG 3.15Å; E655-S659 WeakPolarHBondContact O-CB 3.37Å; E655-S659 PolarHBondContact O-N 3.16Å; E655-S659 PolarHBondContact O-OG 3.19Å; D656-S659 PolarHBondContact O-N 2.85Å; I657-S659 VanDerWaalsContact C-N 3.3Å; I657-S659 PolarHBondContact O-N 3.47Å; S659-V661 VanDerWaalsContact C-N 3.35Å; S659-V661 PolarHBondContact O-N 3Å; S659-E662 CarbonylContact O-C 3.55Å; S659-E662 WeakPolarHBondContact O-CB 3.44Å; S659-E662 PolarHBondContact O-N 3.43Å; S659-E662 VanDerWaalsContact O-N 3.16Å; S659-G663 PolarHBondContact O-N 3.43Å; S659-K664 WeakPolarHBondContact O-CB 3.43Å; S659-K664 PolarHBondContact O-N 2.87Å
660	V	97.1	Very high	94.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.3	-38.3	172.1	167.6	0	0	0	0	111.7	F526 V535 L538 R539 L542 D656 I657 E662 G663 L666	F526-V660 HydrophobicContact CE1-CB 4.15Å; F526-V660 HydrophobicContact CE1-CG2 3.68Å; F526-V660 HydrophobicContact CZ-CB 4.04Å; F526-V660 HydrophobicContact CZ-CG1 4.06Å; F526-V660 HydrophobicContact CZ-CG2 3.84Å; V535-V660 HydrophobicContact CG1-CG1 4.43Å; L538-V660 HydrophobicContact CB-CG1 3.72Å; L538-V660 HydrophobicContact CB-CG2 4.23Å; L538-V660 HydrophobicContact CD1-CG2 3.88Å; R539-V660 HydrophobicContact CG-CG1 3.57Å; R539-V660 PolarHBondContact NH1-O 3.08Å; L542-V660 HydrophobicContact CD1-CG1 3.96Å; D656-V660 PolarHBondContact O-N 2.86Å; I657-V660 PolarHBondContact O-N 3.24Å; V660-E662 VanDerWaalsContact C-N 3.31Å; V660-E662 PolarHBondContact O-N 3.29Å; V660-G663 PolarHBondContact O-N 3.18Å; V660-L666 HydrophobicContact CG2-CD2 3.72Å; V660-L666 HydrophobicContact CG2-CG 3.95Å
661	V	95.3	Very high	94.5	Very high	10 Å²	10	44 Å²	44	6%	0.061	25%	0.253	C	S	.	.	H	α-helix	trans	-64.2	-33.5	172.6	164.7	0	0	0	0	112.4	Q465 S469 L471 R539 L542 I657 F658 S659 G663	Q465-V661 HydrophobicContact CG-CG1 4.41Å; S469-V661 WeakPolarHBondContact OG-CG1 3.46Å; L471-V661 HydrophobicContact CD1-CG2 3.68Å; R539-V661 PolarHBondContact NH1-O 2.98Å; R539-V661 PolarHBondContact NH2-O 3.38Å; L542-V661 HydrophobicContact CD1-CG2 4.03Å; I657-V661 HydrophobicContact CG2-CG2 4.41Å; I657-V661 WeakPolarHBondContact O-CB 3.37Å; I657-V661 VanDerWaalsContact O-CG2 3.3Å; I657-V661 WeakPolarHBondContact O-CG2 3.49Å; I657-V661 PolarHBondContact O-N 3.41Å; F658-V661 PolarHBondContact O-N 3.42Å; S659-V661 VanDerWaalsContact C-N 3.35Å; S659-V661 PolarHBondContact O-N 3Å; V661-G663 PolarHBondContact O-N 2.98Å
662	E	95.3	Very high	94.3	Very high	65 Å²	65	42.8 Å²	42.8	30%	0.304	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-5.2	171.6	-76.7	157.1	-156.8	0	0	113.9	K460 Q465 F658 S659 V660 K664	K460-E662 WeakPolarHBondContact CE-OE1 3.16Å; K460-E662 WeakPolarHBondContact CE-OE2 3.32Å; K460-E662 IonicContact NZ-OE1 2.71Å; K460-E662 PolarHBondContact NZ-OE1 3.06Å; K460-E662 IonicContact NZ-OE2 3.96Å; K460-E662 PolarHBondContact NZ-OE2 3.1Å; Q465-E662 PolarHBondContact NE2-OE1 3.29Å; F658-E662 WeakPolarHBondContact O-CB 3.32Å; F658-E662 VanDerWaalsContact O-CG 3.27Å; F658-E662 WeakPolarHBondContact O-CG 3.35Å; F658-E662 PolarHBondContact O-N 2.9Å; S659-E662 CarbonylContact O-C 3.55Å; S659-E662 WeakPolarHBondContact O-CB 3.44Å; S659-E662 PolarHBondContact O-N 3.43Å; S659-E662 VanDerWaalsContact O-N 3.16Å; V660-E662 VanDerWaalsContact C-N 3.31Å; V660-E662 PolarHBondContact O-N 3.29Å; E662-K664 HydrophobicContact CB-CD 4.08Å; E662-K664 HydrophobicContact CB-CG 4.28Å; E662-K664 IonicContact OE2-NZ 3.12Å; E662-K664 PolarHBondContact OE2-NZ 3Å
663	G	94.6	Very high	94	Very high	42 Å²	42	41 Å²	41	43%	0.433	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	83	16.7	-178.8	0	0	0	0	0	114.2	S659 V660 V661	S659-G663 PolarHBondContact O-N 3.43Å; V660-G663 PolarHBondContact O-N 3.18Å; V661-G663 PolarHBondContact O-N 2.98Å
664	K	94.8	Very high	93.7	Very high	106 Å²	106	43.9 Å²	43.9	46%	0.461	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-97	144.8	-179.4	-60	166.3	-175.9	165.9	0	110.3	V535 S659 E662	V535-K664 WeakPolarHBondContact CG2-O 3.47Å; S659-K664 WeakPolarHBondContact O-CB 3.43Å; S659-K664 PolarHBondContact O-N 2.87Å; E662-K664 HydrophobicContact CB-CD 4.08Å; E662-K664 HydrophobicContact CB-CG 4.28Å; E662-K664 IonicContact OE2-NZ 3.12Å; E662-K664 PolarHBondContact OE2-NZ 3Å
665	P	90.1	Very high	93.3	Very high	102 Å²	102	47.2 Å²	47.2	66%	0.662	29%	0.285	S	S	*	.	P	Polyproline II helix	trans	-64	158.4	169.7	30.3	-35.8	0	0	0	111	V535	V535-P665 HydrophobicContact CG2-CB 4.34Å
666	L	89.4	Confident	92.9	Very high	31 Å²	31	44.9 Å²	44.9	16%	0.162	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-75.2	144.9	168.4	-65	179.9	0	0	0	109.9	F526 P530 L538 D656 V660	F526-L666 HydrophobicContact CB-CD1 4.45Å; F526-L666 HydrophobicContact CD1-CD1 3.67Å; F526-L666 HydrophobicContact CD1-CD2 4.18Å; F526-L666 HydrophobicContact CE1-CD1 4.17Å; F526-L666 HydrophobicContact CE1-CD2 4.2Å; F526-L666 HydrophobicContact CG-CD1 4.13Å; P530-L666 HydrophobicContact CB-CB 4.06Å; P530-L666 HydrophobicContact CB-CD1 3.79Å; L538-L666 HydrophobicContact CD1-CD1 3.73Å; L538-L666 HydrophobicContact CD1-CG 4.05Å; D656-L666 HydrophobicContact CB-CD2 3.71Å; V660-L666 HydrophobicContact CG2-CD2 3.72Å; V660-L666 HydrophobicContact CG2-CG 3.95Å
667	S	66.6	Low	92.4	Very high	152 Å²	152	48.5 Å²	48.5	100%	1.063	30%	0.302	S	S	*	.			trans	-100	0	175.4	64.6	0	0	0	0	111.6

Retrieved 667 of 667 residues in 194.3 ms (Link to these results)

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