A0A087Y8M7_POEFO Loading...

Membrane metalloendopeptidase like 1

AlphaFold DB , UniProt , Accession A0A087Y8M7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 769 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.9	Very low	30.7	Very low	252 Å²	252	158.1 Å²	158.1	100%	1.241	85%	0.851	S	S	*	*				0	114.8	0	-72.5	169.1	124.1	0	0	106.5
2	G	34.9	Very low	31.4	Very low	84 Å²	84	160.7 Å²	160.7	87%	0.866	85%	0.853	S	S	*	*			cis	-122.3	152.5	-4.2	0	0	0	0	0	111.5
3	K	31.1	Very low	31.2	Very low	199 Å²	199	162.1 Å²	162.1	87%	0.865	85%	0.848	S	S	*	*			trans	-104.6	154.9	177.7	-72.9	178.6	166.7	-170.8	0	109.5
4	S	27.9	Very low	31.9	Very low	106 Å²	106	159.1 Å²	159.1	74%	0.741	85%	0.848	S	S	*	*				178.6	126.5	113.9	80.8	0	0	0	0	108.3
5	E	33.2	Very low	32	Very low	170 Å²	170	156.3 Å²	156.3	79%	0.794	85%	0.846	S	S	*	*				49.9	116.6	82.2	-77.9	177.4	-170.5	0	0	113.9
6	S	29.1	Very low	32.4	Very low	112 Å²	112	158.5 Å²	158.5	78%	0.783	85%	0.845	S	S	*	*				-176.4	131.8	101.5	72.8	0	0	0	0	112.9
7	Q	34.5	Very low	32.9	Very low	188 Å²	188	155.6 Å²	155.6	88%	0.879	85%	0.848	S	S	*	*			trans	-59.3	151.2	151	-73.4	173.4	-45.7	0	0	110.3
8	M	28.2	Very low	33.3	Very low	170 Å²	170	154.3 Å²	154.3	84%	0.837	85%	0.846	S	S	*	*			trans	-161.7	118.8	147.9	-113.8	178.2	74.3	0	0	113.2
9	D	27.8	Very low	34.1	Very low	141 Å²	141	157.3 Å²	157.3	75%	0.754	85%	0.849	S	S	*	*			trans	35.6	118.6	139.7	-73.3	-27.3	0	0	0	122
10	I	31.6	Very low	35	Very low	172 Å²	172	159.6 Å²	159.6	88%	0.882	85%	0.845	S	S	*	*			trans	-76.7	113	153.9	-64.6	166.2	0	0	0	107.9
11	M	28.6	Very low	36.2	Very low	145 Å²	145	163.2 Å²	163.2	71%	0.714	85%	0.847	S	S	*	*			trans	-117.3	111.1	163.5	-103.7	-172.6	70	0	0	109.9	K13	M11-K13 PolarHBondContact O-N 3.27Å
12	E	38.5	Very low	37.9	Very low	189 Å²	189	159 Å²	159	88%	0.883	82%	0.818	S	S	*	*			trans	-53.5	126.1	162.1	-114.8	180	162.1	0	0	110.7
13	K	29.3	Very low	40.1	Very low	179 Å²	179	158.7 Å²	158.7	78%	0.778	80%	0.799	S	S	*	*			trans	-137.1	106	163.1	-99	-178.6	-178.8	171.6	0	111.6	M11	M11-K13 PolarHBondContact O-N 3.27Å
14	S	41.2	Very low	42.2	Very low	121 Å²	121	154.9 Å²	154.9	85%	0.846	79%	0.792	S	S	*	*			trans	-40.8	131.6	154.5	174.7	0	0	0	0	111.7
15	S	32.8	Very low	44.3	Very low	117 Å²	117	153.1 Å²	153.1	82%	0.818	78%	0.784	S	S	*	*			trans	-127.1	119.7	167.5	70.7	0	0	0	0	112
16	K	38.9	Very low	46.3	Very low	191 Å²	191	148.4 Å²	148.4	83%	0.83	76%	0.762	S	S	*	*			trans	-72.7	143.3	165.8	-76.7	174.5	173.8	174.2	0	109.4	V18	K16-V18 PolarHBondContact O-N 3.48Å
17	A	41	Very low	48.8	Very low	110 Å²	110	147.3 Å²	147.3	91%	0.909	75%	0.746	S	S	*	*			trans	-61.1	123.2	177.6	0	0	0	0	0	112.6
18	V	40.6	Very low	50.8	Low	132 Å²	132	141.7 Å²	141.7	80%	0.8	73%	0.728	S	S	*	*			trans	-114	122.3	168.3	178.3	0	0	0	0	108.3	K16 R20	K16-V18 PolarHBondContact O-N 3.48Å; V18-R20 PolarHBondContact O-N 3.44Å; V18-R20 VanDerWaalsContact O-N 3.16Å
19	K	47.5	Very low	53.3	Low	210 Å²	210	139.2 Å²	139.2	91%	0.913	72%	0.718	S	S	*	*			trans	-65.6	109.1	174.2	-83.7	-179.5	174.8	177.7	0	109.9
20	R	51.5	Low	55.7	Low	203 Å²	203	134.9 Å²	134.9	77%	0.766	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-80	121.4	175.4	-159.5	173.8	-178.8	176.4	-2	109.7	V18	V18-R20 PolarHBondContact O-N 3.44Å; V18-R20 VanDerWaalsContact O-N 3.16Å
21	R	60.4	Low	58.3	Low	236 Å²	236	130.4 Å²	130.4	89%	0.891	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-78.6	125.7	169.7	-94.3	-179.3	166.7	177.6	-4.1	108.6
22	W	66.4	Low	61.1	Low	165 Å²	165	128.9 Å²	128.9	63%	0.625	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-72.9	137.4	-178.5	-69.7	52.6	0	0	0	110.2	E26 I27 S30	W22-E26 HydrophobicContact CE3-CB 3.81Å; W22-E26 HydrophobicContact CZ3-CB 4.41Å; W22-I27 HydrophobicContact CB-CD1 4.31Å; W22-I27 HydrophobicContact CB-CG1 4.01Å; W22-S30 WeakPolarHBondContact CZ3-OG 3.45Å
23	T	81.3	Confident	63.4	Low	76 Å²	76	125.1 Å²	125.1	47%	0.466	66%	0.658	S	S	.	*	P	Polyproline II helix	trans	-76.2	155.3	174.4	60	0	0	0	0	110.4	A25 E26 I27	T23-A25 PolarHBondContact O-N 3.45Å; T23-E26 PolarHBondContact N-OE2 3.41Å; T23-E26 PolarHBondContact O-N 3.02Å; T23-E26 VanDerWaalsContact OG1-CD 3.3Å; T23-E26 VanDerWaalsContact OG1-CG 3.32Å; T23-E26 WeakPolarHBondContact OG1-CG 3.33Å; T23-E26 PolarHBondContact OG1-N 2.96Å; T23-E26 PolarHBondContact OG1-OE2 3.31Å; T23-I27 PolarHBondContact O-N 3.35Å; T23-I27 VanDerWaalsContact O-N 3.08Å
24	V	76.1	Confident	66.1	Low	119 Å²	119	122.1 Å²	122.1	72%	0.721	65%	0.65	S	S	*	*	H	α-helix	trans	-56.3	-35	178.5	177.6	0	0	0	0	111.3	I27 S28	V24-I27 PolarHBondContact O-N 3.3Å; V24-S28 WeakPolarHBondContact O-CB 3.4Å; V24-S28 PolarHBondContact O-N 2.96Å; V24-S28 PolarHBondContact O-OG 2.97Å
25	A	72.6	Confident	68.3	Low	70 Å²	70	121.8 Å²	121.8	58%	0.579	64%	0.638	S	S	*	*	H	α-helix	trans	-64.9	-41.9	176	0	0	0	0	0	113	T23 S28 L29	T23-A25 PolarHBondContact O-N 3.45Å; A25-S28 PolarHBondContact O-N 2.93Å; A25-L29 WeakPolarHBondContact O-CB 3.37Å; A25-L29 PolarHBondContact O-N 3.23Å
26	E	75.3	Confident	71	Confident	70 Å²	70	119.9 Å²	119.9	33%	0.327	62%	0.622	S	S	.	*	H	α-helix	trans	-66.6	-39.2	176.6	-71.3	163.9	150.7	0	0	111.2	W22 T23 L29 S30	W22-E26 HydrophobicContact CE3-CB 3.81Å; W22-E26 HydrophobicContact CZ3-CB 4.41Å; T23-E26 PolarHBondContact N-OE2 3.41Å; T23-E26 PolarHBondContact O-N 3.02Å; T23-E26 VanDerWaalsContact OG1-CD 3.3Å; T23-E26 VanDerWaalsContact OG1-CG 3.32Å; T23-E26 WeakPolarHBondContact OG1-CG 3.33Å; T23-E26 PolarHBondContact OG1-N 2.96Å; T23-E26 PolarHBondContact OG1-OE2 3.31Å; E26-L29 PolarHBondContact O-N 3.49Å; E26-S30 PolarHBondContact O-N 3.29Å; E26-S30 PolarHBondContact O-OG 2.99Å; E26-S30 VanDerWaalsContact O-OG 3.11Å
27	I	79.8	Confident	73.2	Confident	89 Å²	89	114 Å²	114	46%	0.456	60%	0.604	S	S	.	*	H	α-helix	trans	-64	-44.8	174.9	-62.6	171.2	0	0	0	110.3	W22 T23 V24 L29 S30 V31	W22-I27 HydrophobicContact CB-CD1 4.31Å; W22-I27 HydrophobicContact CB-CG1 4.01Å; T23-I27 PolarHBondContact O-N 3.35Å; T23-I27 VanDerWaalsContact O-N 3.08Å; V24-I27 PolarHBondContact O-N 3.3Å; I27-L29 VanDerWaalsContact C-N 3.33Å; I27-L29 PolarHBondContact O-N 2.91Å; I27-S30 PolarHBondContact O-N 3.34Å; I27-V31 HydrophobicContact CG2-CG2 4.46Å; I27-V31 VanDerWaalsContact O-CG2 3.28Å; I27-V31 WeakPolarHBondContact O-CG2 3.35Å; I27-V31 PolarHBondContact O-N 2.87Å
28	S	77.3	Confident	75.4	Confident	71 Å²	71	112.5 Å²	112.5	50%	0.497	59%	0.586	S	S	.	*	H	α-helix	trans	-61.6	-40.8	176.6	-63.5	0	0	0	0	112.2	V24 A25 V31 L32	V24-S28 WeakPolarHBondContact O-CB 3.4Å; V24-S28 PolarHBondContact O-N 2.96Å; V24-S28 PolarHBondContact O-OG 2.97Å; A25-S28 PolarHBondContact O-N 2.93Å; S28-V31 PolarHBondContact O-N 3.44Å; S28-L32 WeakPolarHBondContact O-CB 3.31Å; S28-L32 PolarHBondContact O-N 2.92Å
29	L	81.3	Confident	77.6	Confident	117 Å²	117	109 Å²	109	61%	0.613	57%	0.571	S	S	*	*	H	α-helix	trans	-67.1	-41.4	178.5	-144.6	91.3	0	0	0	111.7	A25 E26 I27 L32 L33	A25-L29 WeakPolarHBondContact O-CB 3.37Å; A25-L29 PolarHBondContact O-N 3.23Å; E26-L29 PolarHBondContact O-N 3.49Å; I27-L29 VanDerWaalsContact C-N 3.33Å; I27-L29 PolarHBondContact O-N 2.91Å; L29-L32 PolarHBondContact O-N 3.46Å; L29-L33 WeakPolarHBondContact O-CB 3.49Å; L29-L33 PolarHBondContact O-N 3.32Å
30	S	76.9	Confident	79.5	Confident	50 Å²	50	104 Å²	104	35%	0.35	55%	0.554	S	S	.	*	H	α-helix	trans	-65.4	-39.8	175.8	-64.1	0	0	0	0	112.3	W22 E26 I27 L32 L33 L34	W22-S30 WeakPolarHBondContact CZ3-OG 3.45Å; E26-S30 PolarHBondContact O-N 3.29Å; E26-S30 PolarHBondContact O-OG 2.99Å; E26-S30 VanDerWaalsContact O-OG 3.11Å; I27-S30 PolarHBondContact O-N 3.34Å; S30-L32 VanDerWaalsContact C-N 3.33Å; S30-L33 PolarHBondContact O-N 2.74Å; S30-L34 WeakPolarHBondContact O-CB 3.33Å; S30-L34 PolarHBondContact O-N 3.23Å
31	V	86.8	Confident	81.2	Confident	79 Å²	79	97 Å²	97	48%	0.479	54%	0.54	S	S	.	.	H	α-helix	trans	-63.9	-40.9	174.4	171.5	0	0	0	0	110.8	I27 S28 L34 L35	I27-V31 HydrophobicContact CG2-CG2 4.46Å; I27-V31 VanDerWaalsContact O-CG2 3.28Å; I27-V31 WeakPolarHBondContact O-CG2 3.35Å; I27-V31 PolarHBondContact O-N 2.87Å; S28-V31 PolarHBondContact O-N 3.44Å; V31-L34 PolarHBondContact O-N 3.41Å; V31-L35 HydrophobicContact CG1-CD1 4.08Å; V31-L35 HydrophobicContact CG1-CG 4.49Å; V31-L35 WeakPolarHBondContact O-CG 3.49Å; V31-L35 PolarHBondContact O-N 2.98Å
32	L	87.3	Confident	82.5	Confident	113 Å²	113	87.3 Å²	87.3	59%	0.592	51%	0.513	S	S	*	.	H	α-helix	trans	-64.2	-44.5	177.6	-150.4	106.2	0	0	0	111.7	S28 L29 S30 L34 L35 V36	S28-L32 WeakPolarHBondContact O-CB 3.31Å; S28-L32 PolarHBondContact O-N 2.92Å; L29-L32 PolarHBondContact O-N 3.46Å; S30-L32 VanDerWaalsContact C-N 3.33Å; L32-L34 VanDerWaalsContact C-N 3.29Å; L32-L34 PolarHBondContact O-N 3.08Å; L32-L35 PolarHBondContact O-N 3.03Å; L32-V36 WeakPolarHBondContact O-CG2 3.34Å; L32-V36 PolarHBondContact O-N 3.41Å
33	L	86.1	Confident	83.4	Confident	109 Å²	109	84.7 Å²	84.7	57%	0.571	51%	0.511	S	S	*	.	H	α-helix	trans	-59	-41.6	174.5	-105.2	151.7	0	0	0	111.8	L29 S30 V36 S37	L29-L33 WeakPolarHBondContact O-CB 3.49Å; L29-L33 PolarHBondContact O-N 3.32Å; S30-L33 PolarHBondContact O-N 2.74Å; L33-V36 PolarHBondContact O-N 3.36Å; L33-S37 WeakPolarHBondContact O-CB 3.38Å; L33-S37 PolarHBondContact O-N 3.29Å; L33-S37 PolarHBondContact O-OG 3.08Å
34	L	87.1	Confident	83.6	Confident	116 Å²	116	85.2 Å²	85.2	61%	0.607	51%	0.514	S	S	*	.	H	α-helix	trans	-68.4	-39.8	-180	-145.3	143.3	0	0	0	111.3	S30 V31 L32 S37 C38	S30-L34 WeakPolarHBondContact O-CB 3.33Å; S30-L34 PolarHBondContact O-N 3.23Å; V31-L34 PolarHBondContact O-N 3.41Å; L32-L34 VanDerWaalsContact C-N 3.29Å; L32-L34 PolarHBondContact O-N 3.08Å; L34-S37 PolarHBondContact O-N 2.93Å; L34-C38 PolarHBondContact O-N 3.18Å; L34-C38 PolarHBondContact O-SG 3.06Å
35	L	87.3	Confident	83.9	Confident	114 Å²	114	84.1 Å²	84.1	60%	0.597	51%	0.507	S	S	*	.	H	α-helix	trans	-64.5	-42.6	174.5	-72.2	171	0	0	0	112.6	V31 L32 S37 C38 A39	V31-L35 HydrophobicContact CG1-CD1 4.08Å; V31-L35 HydrophobicContact CG1-CG 4.49Å; V31-L35 WeakPolarHBondContact O-CG 3.49Å; V31-L35 PolarHBondContact O-N 2.98Å; L32-L35 PolarHBondContact O-N 3.03Å; L35-S37 VanDerWaalsContact C-N 3.33Å; L35-C38 PolarHBondContact O-N 3.47Å; L35-A39 PolarHBondContact O-N 3.39Å
36	V	88.8	Confident	84.3	Confident	78 Å²	78	86.2 Å²	86.2	47%	0.473	51%	0.508	S	S	.	.	H	α-helix	trans	-64.3	-40.6	175.8	172.1	0	0	0	0	110.9	L32 L33 A39 L40	L32-V36 WeakPolarHBondContact O-CG2 3.34Å; L32-V36 PolarHBondContact O-N 3.41Å; L33-V36 PolarHBondContact O-N 3.36Å; V36-A39 PolarHBondContact O-N 3.37Å; V36-L40 HydrophobicContact CG1-CD1 4.08Å; V36-L40 PolarHBondContact O-N 3.37Å
37	S	85.4	Confident	84.6	Confident	66 Å²	66	91 Å²	91	46%	0.462	52%	0.524	S	S	.	.	H	α-helix	trans	-62.6	-43.3	176.3	-53.8	0	0	0	0	111.6	L33 L34 L35 L40 A41	L33-S37 WeakPolarHBondContact O-CB 3.38Å; L33-S37 PolarHBondContact O-N 3.29Å; L33-S37 PolarHBondContact O-OG 3.08Å; L34-S37 PolarHBondContact O-N 2.93Å; L35-S37 VanDerWaalsContact C-N 3.33Å; S37-L40 PolarHBondContact O-N 3.36Å; S37-A41 PolarHBondContact O-N 2.95Å
38	C	86.9	Confident	84.3	Confident	79 Å²	79	90.5 Å²	90.5	53%	0.534	53%	0.526	S	S	.	.	H	α-helix	trans	-65.2	-38.2	175.5	-71.5	0	0	0	0	112.5	L34 L35 A41 G42	L34-C38 PolarHBondContact O-N 3.18Å; L34-C38 PolarHBondContact O-SG 3.06Å; L35-C38 PolarHBondContact O-N 3.47Å; C38-A41 PolarHBondContact O-N 2.92Å; C38-G42 PolarHBondContact O-N 3.41Å
39	A	88.5	Confident	84	Confident	58 Å²	58	89.9 Å²	89.9	48%	0.479	52%	0.521	S	S	.	.	H	α-helix	trans	-65.2	-42.4	176.3	0	0	0	0	0	112	L35 V36 G42 L43	L35-A39 PolarHBondContact O-N 3.39Å; V36-A39 PolarHBondContact O-N 3.37Å; A39-G42 PolarHBondContact O-N 3.08Å; A39-L43 PolarHBondContact O-N 2.94Å
40	L	86.3	Confident	83.5	Confident	105 Å²	105	86.9 Å²	86.9	55%	0.55	51%	0.513	S	S	.	.	H	α-helix	trans	-62.6	-44.6	174.5	-87.9	157.3	0	0	0	112	V36 S37 G42 L43 V44	V36-L40 HydrophobicContact CG1-CD1 4.08Å; V36-L40 PolarHBondContact O-N 3.37Å; S37-L40 PolarHBondContact O-N 3.36Å; L40-G42 VanDerWaalsContact C-N 3.32Å; L40-G42 PolarHBondContact O-N 3.45Å; L40-L43 PolarHBondContact O-N 2.98Å; L40-V44 WeakPolarHBondContact O-CG2 3.48Å; L40-V44 PolarHBondContact O-N 3.11Å
41	A	86.5	Confident	83.1	Confident	57 Å²	57	87.9 Å²	87.9	47%	0.471	52%	0.517	S	S	.	.	H	α-helix	trans	-61.7	-40.6	175	0	0	0	0	0	111.8	S37 C38 L43 V44 V45	S37-A41 PolarHBondContact O-N 2.95Å; C38-A41 PolarHBondContact O-N 2.92Å; A41-L43 PolarHBondContact O-N 2.94Å; A41-V44 PolarHBondContact O-N 3.35Å; A41-V45 WeakPolarHBondContact O-CG2 3.28Å; A41-V45 PolarHBondContact O-N 3.31Å
42	G	88.5	Confident	81.7	Confident	32 Å²	32	91.9 Å²	91.9	33%	0.33	53%	0.528	S	S	.	.	H	α-helix	trans	-60.6	-41.8	174	0	0	0	0	0	113	C38 A39 L40 V45 L46	C38-G42 PolarHBondContact O-N 3.41Å; A39-G42 PolarHBondContact O-N 3.08Å; L40-G42 VanDerWaalsContact C-N 3.32Å; L40-G42 PolarHBondContact O-N 3.45Å; G42-V45 PolarHBondContact O-N 3.42Å; G42-L46 WeakPolarHBondContact O-CB 3.48Å; G42-L46 WeakPolarHBondContact O-CG 3.47Å; G42-L46 PolarHBondContact O-N 3.43Å
43	L	85.6	Confident	79.9	Confident	110 Å²	110	94.2 Å²	94.2	58%	0.576	54%	0.536	S	S	*	.	H	α-helix	trans	-64.4	-39.1	175.5	-78	166.4	0	0	0	112.5	A39 L40 A41 L46 Y47	A39-L43 PolarHBondContact O-N 2.94Å; L40-L43 PolarHBondContact O-N 2.98Å; A41-L43 PolarHBondContact O-N 2.94Å; L43-L46 PolarHBondContact O-N 2.97Å; L43-Y47 VanDerWaalsContact O-CB 3.31Å; L43-Y47 WeakPolarHBondContact O-CB 3.47Å; L43-Y47 PolarHBondContact O-N 3.43Å
44	V	85.2	Confident	78.1	Confident	88 Å²	88	97 Å²	97	53%	0.533	55%	0.546	S	S	.	.	H	α-helix	trans	-66.2	-40.2	175.4	173.3	0	0	0	0	111.3	L40 A41 Y47 T48	L40-V44 WeakPolarHBondContact O-CG2 3.48Å; L40-V44 PolarHBondContact O-N 3.11Å; A41-V44 PolarHBondContact O-N 3.35Å; V44-Y47 PolarHBondContact O-N 2.97Å; V44-T48 HydrophobicContact CG1-CG2 4.48Å; V44-T48 WeakPolarHBondContact O-CB 3.37Å; V44-T48 WeakPolarHBondContact O-CG2 3.38Å; V44-T48 PolarHBondContact O-N 3.29Å; V44-T48 PolarHBondContact O-OG1 2.97Å
45	V	83.5	Confident	76.2	Confident	95 Å²	95	95.9 Å²	95.9	58%	0.576	55%	0.548	S	S	*	.	H	α-helix	trans	-65.7	-42.7	175.4	173.4	0	0	0	0	111.1	A41 G42 T48 S49	A41-V45 WeakPolarHBondContact O-CG2 3.28Å; A41-V45 PolarHBondContact O-N 3.31Å; G42-V45 PolarHBondContact O-N 3.42Å; V45-T48 WeakPolarHBondContact CA-OG1 3.34Å; V45-T48 PolarHBondContact O-N 2.96Å; V45-T48 PolarHBondContact O-OG1 3.36Å; V45-S49 WeakPolarHBondContact O-CB 3.41Å; V45-S49 PolarHBondContact O-N 3.43Å; V45-S49 PolarHBondContact O-OG 3.44Å
46	L	79	Confident	74	Confident	115 Å²	115	97.3 Å²	97.3	60%	0.602	56%	0.556	S	S	*	*	H	α-helix	trans	-63.2	-44.3	175.7	-74.2	169.4	0	0	0	111.7	G42 L43 S49 A50	G42-L46 WeakPolarHBondContact O-CB 3.48Å; G42-L46 WeakPolarHBondContact O-CG 3.47Å; G42-L46 PolarHBondContact O-N 3.43Å; L43-L46 PolarHBondContact O-N 2.97Å; L46-S49 WeakPolarHBondContact CA-OG 3.33Å; L46-S49 PolarHBondContact O-N 3.3Å; L46-S49 PolarHBondContact O-OG 2.65Å; L46-A50 PolarHBondContact O-N 2.93Å
47	Y	81.8	Confident	71.5	Confident	169 Å²	169	104.4 Å²	104.4	66%	0.663	58%	0.575	S	S	*	*	H	α-helix	trans	-60.9	-47.7	176.7	-178.2	-100.9	0	0	0	112.1	L43 V44 S49 A50 V51	L43-Y47 VanDerWaalsContact O-CB 3.31Å; L43-Y47 WeakPolarHBondContact O-CB 3.47Å; L43-Y47 PolarHBondContact O-N 3.43Å; V44-Y47 PolarHBondContact O-N 2.97Å; Y47-S49 VanDerWaalsContact C-N 3.31Å; Y47-S49 PolarHBondContact O-N 2.99Å; Y47-A50 PolarHBondContact O-N 2.88Å; Y47-V51 HydrophobicContact CD1-CG2 4.4Å; Y47-V51 HydrophobicContact CE1-CG2 4.06Å; Y47-V51 HydrophobicContact CE2-CG2 4.46Å; Y47-V51 WeakPolarHBondContact O-CG2 3.32Å; Y47-V51 PolarHBondContact O-N 3.27Å
48	T	74.9	Confident	69.1	Low	79 Å²	79	107.3 Å²	107.3	49%	0.485	59%	0.592	S	S	.	*	H	α-helix	trans	-66.2	-33.5	178.5	51.3	0	0	0	0	112.6	V44 V45 K52	V44-T48 HydrophobicContact CG1-CG2 4.48Å; V44-T48 WeakPolarHBondContact O-CB 3.37Å; V44-T48 WeakPolarHBondContact O-CG2 3.38Å; V44-T48 PolarHBondContact O-N 3.29Å; V44-T48 PolarHBondContact O-OG1 2.97Å; V45-T48 WeakPolarHBondContact CA-OG1 3.34Å; V45-T48 PolarHBondContact O-N 2.96Å; V45-T48 PolarHBondContact O-OG1 3.36Å; T48-K52 WeakPolarHBondContact O-CB 3.44Å; T48-K52 PolarHBondContact O-N 2.94Å; T48-K52 VanDerWaalsContact O-N 3.08Å
49	S	71.3	Confident	66.5	Low	58 Å²	58	109.2 Å²	109.2	41%	0.406	61%	0.606	S	S	.	*	H	α-helix	trans	-68.1	-41.3	174.3	71.6	0	0	0	0	112.5	V45 L46 Y47 K52 E53	V45-S49 WeakPolarHBondContact O-CB 3.41Å; V45-S49 PolarHBondContact O-N 3.43Å; V45-S49 PolarHBondContact O-OG 3.44Å; L46-S49 WeakPolarHBondContact CA-OG 3.33Å; L46-S49 PolarHBondContact O-N 3.3Å; L46-S49 PolarHBondContact O-OG 2.65Å; Y47-S49 VanDerWaalsContact C-N 3.31Å; Y47-S49 PolarHBondContact O-N 2.99Å; S49-K52 PolarHBondContact O-N 3.42Å; S49-E53 PolarHBondContact O-N 3.02Å; S49-E53 VanDerWaalsContact O-N 3.08Å
50	A	69.3	Low	63.8	Low	54 Å²	54	113 Å²	113	45%	0.446	62%	0.623	S	S	.	*	H	α-helix	trans	-64.7	-40.4	176.4	0	0	0	0	0	112.2	L46 Y47 K52 E53 Q54	L46-A50 PolarHBondContact O-N 2.93Å; Y47-A50 PolarHBondContact O-N 2.88Å; A50-K52 VanDerWaalsContact C-N 3.31Å; A50-K52 PolarHBondContact O-N 3.47Å; A50-E53 PolarHBondContact O-N 2.92Å; A50-Q54 PolarHBondContact O-N 2.95Å
51	V	68.8	Low	61.4	Low	72 Å²	72	113.2 Å²	113.2	44%	0.436	63%	0.633	S	S	.	*	H	α-helix	trans	-65.4	-36.3	175.2	173.2	0	0	0	0	111.3	Y47 Q54	Y47-V51 HydrophobicContact CD1-CG2 4.4Å; Y47-V51 HydrophobicContact CE1-CG2 4.06Å; Y47-V51 HydrophobicContact CE2-CG2 4.46Å; Y47-V51 WeakPolarHBondContact O-CG2 3.32Å; Y47-V51 PolarHBondContact O-N 3.27Å; V51-Q54 PolarHBondContact O-N 3.24Å
52	K	58.2	Low	58.7	Low	162 Å²	162	122.1 Å²	122.1	70%	0.704	66%	0.655	S	S	*	*	H	α-helix	trans	-71.3	-31.6	179.6	-159.2	171.9	-173.8	176.7	0	112.8	T48 S49 A50 Q54 S55	T48-K52 WeakPolarHBondContact O-CB 3.44Å; T48-K52 PolarHBondContact O-N 2.94Å; T48-K52 VanDerWaalsContact O-N 3.08Å; S49-K52 PolarHBondContact O-N 3.42Å; A50-K52 VanDerWaalsContact C-N 3.31Å; A50-K52 PolarHBondContact O-N 3.47Å; K52-Q54 VanDerWaalsContact C-N 3.3Å; K52-S55 PolarHBondContact O-N 2.88Å
53	E	50.1	Low	55.8	Low	162 Å²	162	125.6 Å²	125.6	76%	0.757	67%	0.674	S	S	*	*	H	α-helix	trans	-71.6	-26.7	176.4	-147.7	168.5	-157.7	0	0	112.2	S49 A50 S55	S49-E53 PolarHBondContact O-N 3.02Å; S49-E53 VanDerWaalsContact O-N 3.08Å; A50-E53 PolarHBondContact O-N 2.92Å; E53-S55 VanDerWaalsContact C-N 3.32Å; E53-S55 PolarHBondContact O-N 2.84Å
54	Q	48	Very low	53.3	Low	168 Å²	168	125 Å²	125	79%	0.785	68%	0.679	S	S	*	*	H	α-helix	trans	-76.3	-17.2	176	-141.8	163.3	3.1	0	0	113.4	A50 V51 K52	A50-Q54 PolarHBondContact O-N 2.95Å; V51-Q54 PolarHBondContact O-N 3.24Å; K52-Q54 VanDerWaalsContact C-N 3.3Å
55	S	47.3	Very low	50.9	Low	93 Å²	93	127.6 Å²	127.6	65%	0.65	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	-8.9	179.7	-177.1	0	0	0	0	114.6	K52 E53	K52-S55 PolarHBondContact O-N 2.88Å; E53-S55 VanDerWaalsContact C-N 3.32Å; E53-S55 PolarHBondContact O-N 2.84Å
56	N	40.1	Very low	48.2	Very low	143 Å²	143	126.8 Å²	126.8	77%	0.765	71%	0.706	S	S	*	*			trans	-108.6	55.4	-174.6	-90.8	-9.6	0	0	0	113.1
57	R	36	Very low	46.2	Very low	228 Å²	228	130.7 Å²	130.7	86%	0.86	72%	0.721	S	S	*	*	S	Bend	trans	-110.8	138.6	160.6	-80.7	-173.5	177.4	-176.5	0.6	110.3
58	P	34.7	Very low	43.9	Very low	126 Å²	126	126.7 Å²	126.7	82%	0.818	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-72.9	135	-170.6	-7.4	23.8	0	0	0	111.6	V60	P58-V60 PolarHBondContact O-N 3.16Å
59	S	34	Very low	42.1	Very low	119 Å²	119	131.7 Å²	131.7	83%	0.832	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-66.8	119.1	172.2	52.4	0	0	0	0	111.4
60	V	30.8	Very low	40.9	Very low	137 Å²	137	135.6 Å²	135.6	83%	0.83	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-80	123	164.6	175.3	0	0	0	0	108.3	P58	P58-V60 PolarHBondContact O-N 3.16Å
61	S	35.4	Very low	39.5	Very low	111 Å²	111	143 Å²	143	78%	0.776	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-61.5	131	174.6	54	0	0	0	0	112.1
62	R	30.6	Very low	38.4	Very low	244 Å²	244	142.6 Å²	142.6	92%	0.921	79%	0.785	S	S	*	*			trans	-135.1	124.7	160.3	-108.6	-179.4	-179.9	175.8	-0.6	111.6
63	S	27.9	Very low	37.7	Very low	105 Å²	105	138.7 Å²	138.7	73%	0.734	78%	0.778	S	S	*	*			trans	-70.4	141.7	173	53.4	0	0	0	0	112.5
64	S	33.3	Very low	37.4	Very low	96 Å²	96	138.8 Å²	138.8	67%	0.671	78%	0.784	S	S	*	*	S	Bend	trans	42.9	130.3	140.4	68.8	0	0	0	0	121.6
65	T	34	Very low	37.6	Very low	143 Å²	143	138.2 Å²	138.2	88%	0.877	79%	0.785	S	S	*	*			trans	69.6	110.1	149	55.5	0	0	0	0	118.4
66	G	27.6	Very low	38.2	Very low	78 Å²	78	140.5 Å²	140.5	80%	0.804	79%	0.79	S	S	*	*			trans	167	122.4	165.6	0	0	0	0	0	111.1
67	E	36.8	Very low	40.4	Very low	198 Å²	198	138.8 Å²	138.8	93%	0.925	78%	0.781	S	S	*	*			trans	-50.3	141.8	178.9	-67	162.6	150.5	0	0	112.7	Q69	E67-Q69 PolarHBondContact O-N 3.27Å
68	G	32.1	Very low	43.1	Very low	85 Å²	85	130.1 Å²	130.1	88%	0.876	75%	0.753	S	S	*	*			trans	-68.5	93.3	-179	0	0	0	0	0	112.4	M70	G68-M70 PolarHBondContact O-N 2.97Å
69	Q	38.1	Very low	45.9	Very low	184 Å²	184	124.6 Å²	124.6	86%	0.86	72%	0.718	S	S	*	*			trans	-72	117.3	163.4	-104.6	174.1	-13.8	0	0	110.2	E67 F71	E67-Q69 PolarHBondContact O-N 3.27Å; Q69-F71 PolarHBondContact O-N 3.45Å
70	M	46.1	Very low	48.7	Very low	140 Å²	140	122.8 Å²	122.8	69%	0.69	70%	0.701	S	S	*	*			trans	-50	126.7	168	-87.4	163.5	70.2	0	0	111.1	G68 C72	G68-M70 PolarHBondContact O-N 2.97Å; M70-C72 VanDerWaalsContact C-N 3.31Å; M70-C72 PolarHBondContact O-N 3.43Å
71	F	39.8	Very low	51.8	Low	209 Å²	209	118.6 Å²	118.6	92%	0.917	68%	0.676	S	S	*	*			trans	-75.6	84.1	168.4	-93.4	-90.9	0	0	0	109.9	Q69	Q69-F71 PolarHBondContact O-N 3.45Å
72	C	45.7	Very low	54.6	Low	64 Å²	64	118 Å²	118	43%	0.432	67%	0.67	S	S	.	*			trans	-74.7	120.7	158.1	-72	0	0	0	0	108.4	M70 N74	M70-C72 VanDerWaalsContact C-N 3.31Å; M70-C72 PolarHBondContact O-N 3.43Å; C72-N74 PolarHBondContact O-N 3.38Å
73	S	43.9	Very low	57.5	Low	79 Å²	79	109.2 Å²	109.2	55%	0.552	64%	0.641	S	S	*	*			trans	-67.9	118.7	170.6	56.5	0	0	0	0	109.6	L75	S73-L75 PolarHBondContact O-N 2.96Å
74	N	44.4	Very low	60.7	Low	165 Å²	165	104.5 Å²	104.5	88%	0.882	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	44.4	-159.2	-138.2	-0.7	0	0	0	114.9	C72	C72-N74 PolarHBondContact O-N 3.38Å
75	L	50.3	Low	63.7	Low	155 Å²	155	103.3 Å²	103.3	81%	0.812	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.1	-6.1	-177.1	-100.8	146	0	0	0	117	S73	S73-L75 PolarHBondContact O-N 2.96Å
76	N	61.6	Low	66.7	Low	141 Å²	141	101.1 Å²	101.1	75%	0.754	58%	0.583	S	S	*	*	S	Bend	trans	-158.9	13	175.4	-89.8	-29.7	0	0	0	117.4	V78	N76-V78 VanDerWaalsContact C-N 3.29Å; N76-V78 HydrophobicContact CB-CG2 4.04Å; N76-V78 PolarHBondContact O-N 3.45Å
77	N	85.7	Confident	70	Confident	108 Å²	108	97.8 Å²	97.8	58%	0.578	55%	0.548	S	S	*	.			trans	49.2	44.9	-175.5	-163.5	32.1	0	0	0	113.9	P692 R693	N77-P692 CarbonylContact O-C 3.6Å; N77-R693 PolarHBondContact O-N 3.41Å
78	V	92.9	Very high	72.9	Confident	45 Å²	45	88.5 Å²	88.5	27%	0.273	51%	0.505	S	S	.	.	B	Isolated β-bridge	trans	-112.2	132.4	179.5	176	0	0	0	0	109.6	N76 T80 R693 P695	N76-V78 VanDerWaalsContact C-N 3.29Å; N76-V78 HydrophobicContact CB-CG2 4.04Å; N76-V78 PolarHBondContact O-N 3.45Å; V78-T80 HydrophobicContact CG1-CG2 4.48Å; V78-R693 CarbonylContact C-O 3.55Å; V78-R693 WeakPolarHBondContact CA-O 3.16Å; V78-P695 HydrophobicContact CG1-CB 3.74Å
79	C	93.2	Very high	76	Confident	11 Å²	11	86.2 Å²	86.2	7%	0.074	48%	0.478	C	S	.	.			trans	-74.4	124.2	174.3	-175	0	0	0	0	111	T81 C84 P692 R693 P695	C79-T81 PolarHBondContact SG-OG1 2.74Å; C79-T81 VanDerWaalsContact SG-OG1 3.36Å; C79-C84 HydrophobicContact CB-CB 3.63Å; C79-C84 WeakPolarHBondContact CB-SG 3.27Å; C79-C84 WeakPolarHBondContact SG-CB 3.33Å; C79-C84 CovalentContact SG-SG 2.03Å; C79-C84 PolarHBondContact SG-SG 2.87Å; C79-P692 HydrophobicContact CB-CB 4.21Å; C79-R693 PolarHBondContact N-O 3.42Å; C79-P695 VanDerWaalsContact O-CD 3.27Å; C79-P695 WeakPolarHBondContact O-CD 3.3Å; C79-P695 WeakPolarHBondContact O-CG 3.17Å
80	T	93.6	Very high	78.8	Confident	80 Å²	80	79.9 Å²	79.9	49%	0.491	45%	0.446	S	S	.	.			trans	-118.5	15.6	-179.2	51.5	0	0	0	0	113.1	V78	V78-T80 HydrophobicContact CG1-CG2 4.48Å
81	T	94.2	Very high	81.3	Confident	49 Å²	49	73.2 Å²	73.2	30%	0.301	41%	0.413	S	S	.	.	S	Bend	trans	-66	155.7	173.4	68.3	0	0	0	0	110.6	C79 D83 C84 V85	C79-T81 PolarHBondContact SG-OG1 2.74Å; C79-T81 VanDerWaalsContact SG-OG1 3.36Å; T81-D83 VanDerWaalsContact C-N 3.25Å; T81-D83 PolarHBondContact O-N 3.01Å; T81-C84 PolarHBondContact O-N 2.91Å; T81-C84 VanDerWaalsContact O-N 3.15Å; T81-C84 PolarHBondContact OG1-N 2.83Å; T81-C84 PolarHBondContact OG1-SG 3.36Å; T81-V85 WeakPolarHBondContact O-CG2 3.08Å; T81-V85 PolarHBondContact O-N 3.01Å
82	P	94.7	Very high	84.1	Confident	98 Å²	98	66.8 Å²	66.8	64%	0.636	39%	0.388	S	S	*	.	H	α-helix	trans	-53.5	-40.5	178.4	-28	36.3	0	0	0	113.7	V85 T86	P82-V85 PolarHBondContact O-N 3.34Å; P82-T86 WeakPolarHBondContact O-CB 3.48Å; P82-T86 PolarHBondContact O-N 3.15Å; P82-T86 PolarHBondContact O-OG1 3.24Å
83	D	92.6	Very high	86.5	Confident	61 Å²	61	69.2 Å²	69.2	33%	0.326	39%	0.393	S	S	.	.	H	α-helix	trans	-65.9	-42.5	178.7	-59.3	-84.6	0	0	0	112.4	T81 T86 A87 H587	T81-D83 VanDerWaalsContact C-N 3.25Å; T81-D83 PolarHBondContact O-N 3.01Å; D83-T86 PolarHBondContact O-N 3.09Å; D83-A87 VanDerWaalsContact O-CB 3.29Å; D83-A87 WeakPolarHBondContact O-CB 3.35Å; D83-A87 PolarHBondContact O-N 3.45Å; D83-H587 HydrophobicContact CB-CB 3.73Å; D83-H587 WeakPolarHBondContact CB-O 3.25Å; D83-H587 WeakPolarHBondContact OD1-CB 3.27Å; D83-H587 WeakPolarHBondContact OD2-CB 3.45Å; D83-H587 IonicContact OD2-CG 2.75Å
84	C	95.3	Very high	89.1	Confident	5 Å²	5	66 Å²	66	3%	0.034	37%	0.369	C	S	.	.	H	α-helix	trans	-62.6	-45.2	175.5	-68.5	0	0	0	0	111.9	C79 T81 T86 A87 A88 H589 L694	C79-C84 HydrophobicContact CB-CB 3.63Å; C79-C84 WeakPolarHBondContact CB-SG 3.27Å; C79-C84 WeakPolarHBondContact SG-CB 3.33Å; C79-C84 CovalentContact SG-SG 2.03Å; C79-C84 PolarHBondContact SG-SG 2.87Å; T81-C84 PolarHBondContact O-N 2.91Å; T81-C84 VanDerWaalsContact O-N 3.15Å; T81-C84 PolarHBondContact OG1-N 2.83Å; T81-C84 PolarHBondContact OG1-SG 3.36Å; C84-T86 VanDerWaalsContact C-N 3.35Å; C84-A87 PolarHBondContact O-N 3.04Å; C84-A88 VanDerWaalsContact O-CB 3.27Å; C84-A88 WeakPolarHBondContact O-CB 3.15Å; C84-A88 PolarHBondContact O-N 3.33Å; C84-H589 PolarHBondContact SG-CE1 3.17Å; C84-L694 HydrophobicContact CB-CD2 3.96Å; C84-L694 WeakPolarHBondContact O-CD2 3.02Å
85	V	96.3	Very high	91.7	Very high	72 Å²	72	58.8 Å²	58.8	44%	0.436	33%	0.331	S	S	.	.	H	α-helix	trans	-64.3	-41.8	178	175.1	0	0	0	0	110.8	T81 P82 A88 A89 P695	T81-V85 WeakPolarHBondContact O-CG2 3.08Å; T81-V85 PolarHBondContact O-N 3.01Å; P82-V85 PolarHBondContact O-N 3.34Å; V85-A88 PolarHBondContact O-N 3.46Å; V85-A89 VanDerWaalsContact O-CB 3.3Å; V85-A89 WeakPolarHBondContact O-CB 3.39Å; V85-A89 PolarHBondContact O-N 3.5Å; V85-P695 HydrophobicContact CG2-CG 4.08Å
86	T	96.3	Very high	94	Very high	97 Å²	97	53 Å²	53	60%	0.595	30%	0.3	S	S	*	.	H	α-helix	trans	-66.4	-44.7	179.1	-57.1	0	0	0	0	111.5	P82 D83 C84 A89 R90	P82-T86 WeakPolarHBondContact O-CB 3.48Å; P82-T86 PolarHBondContact O-N 3.15Å; P82-T86 PolarHBondContact O-OG1 3.24Å; D83-T86 PolarHBondContact O-N 3.09Å; C84-T86 VanDerWaalsContact C-N 3.35Å; T86-A89 PolarHBondContact O-N 3.3Å; T86-R90 PolarHBondContact O-N 3.49Å
87	A	96.7	Very high	95.6	Very high	7 Å²	7	52.8 Å²	52.8	6%	0.058	30%	0.299	C	S	.	.	H	α-helix	trans	-62.5	-46.1	176	0	0	0	0	0	111.5	D83 C84 A89 R90 L91 L592	D83-A87 VanDerWaalsContact O-CB 3.29Å; D83-A87 WeakPolarHBondContact O-CB 3.35Å; D83-A87 PolarHBondContact O-N 3.45Å; C84-A87 PolarHBondContact O-N 3.04Å; A87-A89 PolarHBondContact O-N 3.48Å; A87-R90 PolarHBondContact O-N 2.86Å; A87-L91 VanDerWaalsContact O-CG 3.27Å; A87-L91 WeakPolarHBondContact O-CG 3.3Å; A87-L91 PolarHBondContact O-N 3.13Å; A87-L592 HydrophobicContact CB-CD1 3.83Å
88	A	97.6	Very high	96.2	Very high	3 Å²	3	52.3 Å²	52.3	3%	0.025	31%	0.305	C	S	.	.	H	α-helix	trans	-62	-44	177.6	0	0	0	0	0	112.4	C84 V85 R90 L91 L92 L694 P695 L697	C84-A88 VanDerWaalsContact O-CB 3.27Å; C84-A88 WeakPolarHBondContact O-CB 3.15Å; C84-A88 PolarHBondContact O-N 3.33Å; V85-A88 PolarHBondContact O-N 3.46Å; A88-R90 PolarHBondContact O-N 3.38Å; A88-L91 PolarHBondContact O-N 2.91Å; A88-L92 WeakPolarHBondContact O-CB 3.27Å; A88-L92 WeakPolarHBondContact O-CG 3.29Å; A88-L92 PolarHBondContact O-N 3.09Å; A88-L694 HydrophobicContact CB-CB 4.24Å; A88-L694 HydrophobicContact CB-CD2 4.37Å; A88-P695 HydrophobicContact CB-CG 4Å; A88-P695 VanDerWaalsContact CB-O 3.27Å; A88-P695 WeakPolarHBondContact CB-O 3.46Å; A88-L697 HydrophobicContact CB-CD1 4.07Å
89	A	97.4	Very high	96.4	Very high	37 Å²	37	51.8 Å²	51.8	31%	0.306	30%	0.302	S	S	.	.	H	α-helix	trans	-60.4	-44.2	176.8	0	0	0	0	0	111.8	V85 T86 A87 Q93	V85-A89 VanDerWaalsContact O-CB 3.3Å; V85-A89 WeakPolarHBondContact O-CB 3.39Å; V85-A89 PolarHBondContact O-N 3.5Å; T86-A89 PolarHBondContact O-N 3.3Å; A87-A89 PolarHBondContact O-N 3.48Å; A89-Q93 WeakPolarHBondContact O-CB 3.39Å; A89-Q93 WeakPolarHBondContact O-CG 3.46Å; A89-Q93 PolarHBondContact O-N 2.91Å
90	R	97.3	Very high	96.7	Very high	52 Å²	52	58 Å²	58	20%	0.196	33%	0.328	C	S	.	.	H	α-helix	trans	-60.3	-48.8	175.3	-177.7	-149.6	69.4	-160.7	2.3	111.5	T86 A87 A88 Q93 N94 N708	T86-R90 PolarHBondContact O-N 3.49Å; A87-R90 PolarHBondContact O-N 2.86Å; A88-R90 PolarHBondContact O-N 3.38Å; R90-Q93 PolarHBondContact O-N 3.23Å; R90-N94 VanDerWaalsContact O-CG 3.31Å; R90-N94 PolarHBondContact O-N 3.15Å; R90-N94 PolarHBondContact O-ND2 3.37Å; R90-N708 PolarHBondContact NH2-OD1 3.15Å
91	L	98.3	Very high	96.9	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-58.3	-52.5	179.5	-72	168.1	0	0	0	111.3	A87 A88 Q93 N94 I95 L592 L694 L697 L704 L707 Q711	A87-L91 VanDerWaalsContact O-CG 3.27Å; A87-L91 WeakPolarHBondContact O-CG 3.3Å; A87-L91 PolarHBondContact O-N 3.13Å; A88-L91 PolarHBondContact O-N 2.91Å; L91-Q93 PolarHBondContact O-N 2.99Å; L91-N94 PolarHBondContact O-N 2.79Å; L91-I95 WeakPolarHBondContact O-CG1 3.35Å; L91-I95 PolarHBondContact O-N 3.08Å; L91-L592 HydrophobicContact CD1-CD1 4.43Å; L91-L592 HydrophobicContact CD1-CD2 3.98Å; L91-L694 HydrophobicContact CD1-CD1 3.62Å; L91-L697 HydrophobicContact CB-CD1 3.93Å; L91-L697 HydrophobicContact CD1-CD1 3.73Å; L91-L704 HydrophobicContact CD1-CD2 4.02Å; L91-L707 HydrophobicContact CB-CD2 4.16Å; L91-L707 HydrophobicContact CD2-CD2 3.75Å; L91-L707 HydrophobicContact CD2-CG 3.92Å; L91-L707 HydrophobicContact CG-CD2 4.38Å; L91-Q711 PolarHBondContact O-NE2 2.03Å
92	L	97.6	Very high	97.1	Very high	74 Å²	74	54 Å²	54	39%	0.387	30%	0.303	S	S	.	.	H	α-helix	trans	-60.2	-42.9	-179.3	-78.6	167.7	0	0	0	112.9	A88 N94 I95 L697	A88-L92 WeakPolarHBondContact O-CB 3.27Å; A88-L92 WeakPolarHBondContact O-CG 3.29Å; A88-L92 PolarHBondContact O-N 3.09Å; L92-N94 VanDerWaalsContact C-N 3.26Å; L92-N94 PolarHBondContact O-N 3.16Å; L92-I95 PolarHBondContact O-N 2.69Å; L92-L697 HydrophobicContact CD1-CG 4.32Å; L92-L697 HydrophobicContact CD2-CD2 3.44Å; L92-L697 VanDerWaalsContact CD2-CD2 3.44Å; L92-L697 HydrophobicContact CD2-CG 3.89Å; L92-L697 HydrophobicContact CG-CD1 4.45Å; L92-L697 HydrophobicContact CG-CD2 3.72Å; L92-L697 HydrophobicContact CG-CG 3.81Å
93	Q	97.5	Very high	97.3	Very high	114 Å²	114	53.2 Å²	53.2	53%	0.533	29%	0.294	S	S	.	.	H	α-helix	trans	-59.8	-41.9	178.9	-76.5	171.6	14	0	0	110.4	A89 R90 L91 I95 R116	A89-Q93 WeakPolarHBondContact O-CB 3.39Å; A89-Q93 WeakPolarHBondContact O-CG 3.46Å; A89-Q93 PolarHBondContact O-N 2.91Å; R90-Q93 PolarHBondContact O-N 3.23Å; L91-Q93 PolarHBondContact O-N 2.99Å; Q93-I95 VanDerWaalsContact C-N 3.35Å; Q93-I95 PolarHBondContact O-N 2.92Å; Q93-R116 PolarHBondContact O-NH1 2.9Å; Q93-R116 PolarHBondContact O-NH2 2.99Å
94	N	98.3	Very high	97.6	Very high	11 Å²	11	52.2 Å²	52.2	6%	0.059	29%	0.289	C	S	.	.	H	α-helix	trans	-76	-21.8	-172.7	-68.5	-14.4	0	0	0	114.1	R90 L91 L92 A109 C110 G111 G112 W113 R116 Q711	R90-N94 VanDerWaalsContact O-CG 3.31Å; R90-N94 PolarHBondContact O-N 3.15Å; R90-N94 PolarHBondContact O-ND2 3.37Å; L91-N94 PolarHBondContact O-N 2.79Å; L92-N94 VanDerWaalsContact C-N 3.26Å; L92-N94 PolarHBondContact O-N 3.16Å; N94-A109 CarbonylContact C-O 3.56Å; N94-A109 CarbonylContact O-C 3.54Å; N94-A109 VanDerWaalsContact O-O 3.1Å; N94-C110 CarbonylContact O-C 3.6Å; N94-C110 VanDerWaalsContact O-C 3.27Å; N94-C110 WeakPolarHBondContact O-CA 3.27Å; N94-G111 PolarHBondContact O-N 2.9Å; N94-G112 WeakPolarHBondContact O-CA 3.43Å; N94-G112 PolarHBondContact O-N 3.01Å; N94-W113 HydrophobicContact CB-CB 4.14Å; N94-W113 PolarHBondContact O-N 3.07Å; N94-R116 PolarHBondContact OD1-NH2 3.47Å; N94-Q711 HydrophobicContact CB-CG 4.32Å; N94-Q711 PolarHBondContact ND2-OE1 3Å; N94-Q711 VanDerWaalsContact ND2-OE1 3.15Å
95	I	98.4	Very high	97.7	Very high	15 Å²	15	52 Å²	52	8%	0.077	29%	0.287	C	S	.	.			trans	-66.9	142.4	179.3	-68.4	163.7	0	0	0	111.3	L91 L92 Q93 D97 Y108 L697 M699 L707	L91-I95 WeakPolarHBondContact O-CG1 3.35Å; L91-I95 PolarHBondContact O-N 3.08Å; L92-I95 PolarHBondContact O-N 2.69Å; Q93-I95 VanDerWaalsContact C-N 3.35Å; Q93-I95 PolarHBondContact O-N 2.92Å; I95-D97 VanDerWaalsContact CG2-OD1 3.25Å; I95-D97 WeakPolarHBondContact CG2-OD1 3.3Å; I95-Y108 CarbonylContact C-O 3.58Å; I95-Y108 VanDerWaalsContact CA-O 3.26Å; I95-Y108 WeakPolarHBondContact CA-O 3.33Å; I95-Y108 HydrophobicContact CG2-CD2 4.16Å; I95-Y108 HydrophobicContact CG2-CE2 3.66Å; I95-L697 HydrophobicContact CD1-CD2 4.06Å; I95-M699 HydrophobicContact CD1-CE 3.93Å; I95-L707 HydrophobicContact CD1-CD1 4.27Å; I95-L707 HydrophobicContact CD1-CD2 3.8Å; I95-L707 HydrophobicContact CG1-CD1 3.96Å; I95-L707 HydrophobicContact CG1-CD2 4.32Å
96	D	98.3	Very high	97.9	Very high	32 Å²	32	49 Å²	49	17%	0.171	27%	0.268	C	S	.	.			trans	-113.4	98.3	164.6	174.3	8.4	0	0	0	109.6	S98 V99 Q107 Y108	D96-S98 PolarHBondContact O-N 3.35Å; D96-S98 VanDerWaalsContact O-N 3.16Å; D96-S98 VanDerWaalsContact OD1-CB 3.24Å; D96-S98 WeakPolarHBondContact OD1-CB 3.4Å; D96-S98 PolarHBondContact OD1-N 2.67Å; D96-S98 PolarHBondContact OD1-OG 3.47Å; D96-S98 PolarHBondContact OD2-OG 2.87Å; D96-V99 PolarHBondContact O-N 3.44Å; D96-Q107 PolarHBondContact OD2-NE2 2.91Å; D96-Y108 PolarHBondContact N-O 3.21Å
97	D	95.7	Very high	98	Very high	137 Å²	137	47.3 Å²	47.3	73%	0.733	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-6.2	-178.7	-70.5	-43.8	0	0	0	113.6	I95 V99	I95-D97 VanDerWaalsContact CG2-OD1 3.25Å; I95-D97 WeakPolarHBondContact CG2-OD1 3.3Å; D97-V99 VanDerWaalsContact C-N 3.25Å
98	S	97.8	Very high	98.1	Very high	99 Å²	99	48 Å²	48	69%	0.692	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-17	174.8	79.5	0	0	0	0	112.8	D96	D96-S98 PolarHBondContact O-N 3.35Å; D96-S98 VanDerWaalsContact O-N 3.16Å; D96-S98 VanDerWaalsContact OD1-CB 3.24Å; D96-S98 WeakPolarHBondContact OD1-CB 3.4Å; D96-S98 PolarHBondContact OD1-N 2.67Å; D96-S98 PolarHBondContact OD1-OG 3.47Å; D96-S98 PolarHBondContact OD2-OG 2.87Å
99	V	98.4	Very high	98.1	Very high	34 Å²	34	47.9 Å²	47.9	21%	0.206	25%	0.254	C	S	.	.	S	Bend	trans	-109.9	135.2	-179.8	179.4	0	0	0	0	110	D96 D97 N104 Q107 Y108	D96-V99 PolarHBondContact O-N 3.44Å; D97-V99 VanDerWaalsContact C-N 3.25Å; V99-N104 HydrophobicContact CG1-CB 4.23Å; V99-Q107 HydrophobicContact CB-CG 4.15Å; V99-Q107 HydrophobicContact CG1-CB 4.22Å; V99-Q107 HydrophobicContact CG1-CG 4.19Å; V99-Q107 HydrophobicContact CG2-CG 3.62Å; V99-Y108 WeakPolarHBondContact O-CD2 3.37Å
100	K	98.1	Very high	98.2	Very high	142 Å²	142	46.1 Å²	46.1	62%	0.617	24%	0.239	S	C	*	.			trans	-78.6	140.5	177.7	-63.7	179.5	-178.5	174.1	0	110.4	C102 D103 N104	K100-C102 PolarHBondContact O-N 3.35Å; K100-C102 VanDerWaalsContact O-N 3.11Å; K100-D103 HydrophobicContact CB-CB 4.35Å; K100-D103 PolarHBondContact O-N 3.36Å; K100-N104 PolarHBondContact O-N 3.2Å
101	P	98.3	Very high	98.3	Very high	28 Å²	28	43.9 Å²	43.9	18%	0.182	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-29.1	179.8	21.3	-32.8	0	0	0	113.3	F105 Y108 F752 M760	P101-F105 HydrophobicContact CB-CD2 3.56Å; P101-F105 HydrophobicContact CB-CE2 3.76Å; P101-F105 WeakPolarHBondContact O-CB 3.26Å; P101-Y108 HydrophobicContact CB-CD1 3.82Å; P101-Y108 HydrophobicContact CB-CE1 4.1Å; P101-Y108 HydrophobicContact CB-CG 4.11Å; P101-F752 HydrophobicContact CB-CB 4.47Å; P101-F752 HydrophobicContact CB-CD1 3.62Å; P101-F752 HydrophobicContact CB-CE1 4.13Å; P101-F752 HydrophobicContact CB-CG 4.17Å; P101-F752 HydrophobicContact CG-CD1 3.72Å; P101-F752 HydrophobicContact CG-CE1 4.44Å; P101-F752 HydrophobicContact CG-CG 4.45Å; P101-M760 WeakPolarHBondContact O-CG 3.49Å
102	C	98.6	Very high	98.3	Very high	15 Å²	15	44 Å²	44	10%	0.101	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-10.4	-180	-55.8	0	0	0	0	114.6	K100 C754 M760	K100-C102 PolarHBondContact O-N 3.35Å; K100-C102 VanDerWaalsContact O-N 3.11Å; C102-C754 VanDerWaalsContact CA-SG 3.51Å; C102-C754 HydrophobicContact CB-CB 3.67Å; C102-C754 WeakPolarHBondContact CB-SG 3.38Å; C102-C754 WeakPolarHBondContact SG-CA 3.2Å; C102-C754 WeakPolarHBondContact SG-CB 3.23Å; C102-C754 CovalentContact SG-SG 2.05Å; C102-C754 PolarHBondContact SG-SG 2.94Å; C102-M760 WeakPolarHBondContact O-CB 3.18Å; C102-M760 WeakPolarHBondContact O-CG 3.24Å; C102-M760 PolarHBondContact O-N 3.3Å; C102-M760 VanDerWaalsContact O-N 3.09Å
103	D	98.6	Very high	98.3	Very high	82 Å²	82	40.9 Å²	40.9	44%	0.439	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-47	179.7	-66.1	-18.5	0	0	0	111.2	K100 P759	K100-D103 HydrophobicContact CB-CB 4.35Å; K100-D103 PolarHBondContact O-N 3.36Å; D103-P759 VanDerWaalsContact O-CB 3.29Å; D103-P759 WeakPolarHBondContact O-CB 3.26Å
104	N	98.6	Very high	98.3	Very high	41 Å²	41	37.8 Å²	37.8	22%	0.219	20%	0.204	C	C	.	.			trans	-154	101.6	170.6	-177	-31.4	0	0	0	109	V99 K100 Y106 Q107 Y108 E735	V99-N104 HydrophobicContact CG1-CB 4.23Å; K100-N104 PolarHBondContact O-N 3.2Å; N104-Y106 VanDerWaalsContact C-N 3.33Å; N104-Y106 PolarHBondContact O-N 3.45Å; N104-Y106 PolarHBondContact OD1-N 3.5Å; N104-Y106 VanDerWaalsContact OD1-N 3.09Å; N104-Q107 HydrophobicContact CB-CB 4.12Å; N104-Q107 PolarHBondContact O-N 3.05Å; N104-Q107 PolarHBondContact OD1-N 3.36Å; N104-Y108 WeakPolarHBondContact O-CB 3.44Å; N104-Y108 PolarHBondContact O-N 2.96Å; N104-E735 PolarHBondContact ND2-OE1 3.28Å
105	F	98.8	Very high	98.3	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-70.9	-28.5	-175.5	-163.1	-106	0	0	0	113.3	P101 Y108 A109 F706 A710 V738 L742 F748 F752 M760	P101-F105 HydrophobicContact CB-CD2 3.56Å; P101-F105 HydrophobicContact CB-CE2 3.76Å; P101-F105 WeakPolarHBondContact O-CB 3.26Å; F105-Y108 AromaticContact CD2-CD1 3.91Å; F105-Y108 HydrophobicContact CD2-CD1 3.91Å; F105-Y108 AromaticContact CE2-CD1 3.66Å; F105-Y108 HydrophobicContact CE2-CD1 3.66Å; F105-Y108 HydrophobicContact CE2-CE1 4.04Å; F105-Y108 HydrophobicContact CZ-CD1 4.4Å; F105-A109 HydrophobicContact CE1-CB 4.39Å; F105-A109 WeakPolarHBondContact O-CB 3.25Å; F105-A109 PolarHBondContact O-N 2.97Å; F105-F706 HydrophobicContact CE1-CB 4.3Å; F105-F706 WeakPolarHBondContact CE1-O 2.87Å; F105-F706 HydrophobicContact CZ-CB 4.2Å; F105-A710 HydrophobicContact CD1-CB 3.8Å; F105-A710 HydrophobicContact CE1-CB 3.61Å; F105-V738 HydrophobicContact CD1-CG1 4.16Å; F105-L742 HydrophobicContact CB-CD1 4.38Å; F105-L742 HydrophobicContact CD1-CD1 3.23Å; F105-L742 HydrophobicContact CE1-CD1 3.7Å; F105-L742 HydrophobicContact CG-CD1 3.99Å; F105-F748 HydrophobicContact CB-CE2 4.4Å; F105-F748 HydrophobicContact CB-CZ 3.99Å; F105-F748 AromaticContact CD1-CE2 3.91Å; F105-F748 HydrophobicContact CD1-CE2 3.91Å; F105-F748 HydrophobicContact CD1-CZ 4.36Å; F105-F748 AromaticContact CD2-CE2 3.43Å; F105-F748 HydrophobicContact CD2-CE2 3.43Å; F105-F748 VanDerWaalsContact CD2-CE2 3.43Å; F105-F748 AromaticContact CD2-CZ 3.48Å; F105-F748 HydrophobicContact CD2-CZ 3.48Å; F105-F748 VanDerWaalsContact CD2-CZ 3.48Å; F105-F748 AromaticContact CE1-CE2 3.95Å; F105-F748 HydrophobicContact CE1-CE2 3.95Å; F105-F748 AromaticContact CE2-CE2 3.51Å; F105-F748 HydrophobicContact CE2-CE2 3.51Å; F105-F748 HydrophobicContact CE2-CZ 4.01Å; F105-F748 AromaticContact CG-CE2 3.63Å; F105-F748 HydrophobicContact CG-CE2 3.63Å; F105-F748 AromaticContact CG-CZ 3.67Å; F105-F748 HydrophobicContact CG-CZ 3.67Å; F105-F748 AromaticContact CZ-CE2 3.76Å; F105-F748 HydrophobicContact CZ-CE2 3.76Å; F105-F752 HydrophobicContact CE2-CD1 4.18Å; F105-F752 HydrophobicContact CE2-CD2 4.17Å; F105-F752 AromaticContact CE2-CE1 3.72Å; F105-F752 HydrophobicContact CE2-CE1 3.72Å; F105-F752 AromaticContact CE2-CE2 3.72Å; F105-F752 HydrophobicContact CE2-CE2 3.72Å; F105-F752 HydrophobicContact CE2-CG 4.38Å; F105-F752 AromaticContact CE2-CZ 3.47Å; F105-F752 HydrophobicContact CE2-CZ 3.47Å; F105-F752 VanDerWaalsContact CE2-CZ 3.47Å; F105-F752 HydrophobicContact CZ-CE1 4.28Å; F105-F752 AromaticContact CZ-CE2 3.78Å; F105-F752 HydrophobicContact CZ-CE2 3.78Å; F105-F752 AromaticContact CZ-CZ 3.59Å; F105-F752 HydrophobicContact CZ-CZ 3.59Å; F105-M760 HydrophobicContact CB-CE 3.76Å; F105-M760 HydrophobicContact CB-CG 4.29Å; F105-M760 HydrophobicContact CB-SD 4.17Å
106	Y	98.8	Very high	98.2	Very high	10 Å²	10	50.2 Å²	50.2	4%	0.039	26%	0.256	C	S	.	.	H	α-helix	trans	-66.1	-49.3	175.3	-178.5	-102.2	0	0	0	110.8	N104 Y108 A109 C110 L114 W713 G715 E735 V738	N104-Y106 VanDerWaalsContact C-N 3.33Å; N104-Y106 PolarHBondContact O-N 3.45Å; N104-Y106 PolarHBondContact OD1-N 3.5Å; N104-Y106 VanDerWaalsContact OD1-N 3.09Å; Y106-Y108 VanDerWaalsContact C-N 3.34Å; Y106-Y108 PolarHBondContact O-N 2.67Å; Y106-A109 PolarHBondContact O-N 3.43Å; Y106-C110 HydrophobicContact CE1-CB 4.49Å; Y106-C110 HydrophobicContact CE2-CB 4.26Å; Y106-C110 VanDerWaalsContact O-CB 3.25Å; Y106-C110 WeakPolarHBondContact O-CB 3.43Å; Y106-C110 PolarHBondContact O-N 3.26Å; Y106-L114 HydrophobicContact CE1-CD1 3.99Å; Y106-W713 PolarHBondContact OH-O 3.28Å; Y106-G715 PolarHBondContact OH-N 2.99Å; Y106-G715 PolarHBondContact OH-O 2.91Å; Y106-E735 HydrophobicContact CD1-CB 3.73Å; Y106-E735 HydrophobicContact CD1-CG 3.62Å; Y106-E735 HydrophobicContact CD2-CB 4.31Å; Y106-E735 HydrophobicContact CE1-CB 3.87Å; Y106-E735 HydrophobicContact CE1-CG 4.24Å; Y106-E735 HydrophobicContact CE2-CB 4.43Å; Y106-E735 HydrophobicContact CG-CB 3.96Å; Y106-E735 HydrophobicContact CG-CG 3.81Å; Y106-V738 HydrophobicContact CD2-CB 4.1Å; Y106-V738 HydrophobicContact CD2-CG2 3.92Å
107	Q	98.7	Very high	98.1	Very high	61 Å²	61	51.5 Å²	51.5	29%	0.285	26%	0.261	S	S	.	.	H	α-helix	trans	-63.5	-40.2	176.2	-177.9	62.1	29.6	0	0	111.4	D96 V99 N104 G111	D96-Q107 PolarHBondContact OD2-NE2 2.91Å; V99-Q107 HydrophobicContact CB-CG 4.15Å; V99-Q107 HydrophobicContact CG1-CB 4.22Å; V99-Q107 HydrophobicContact CG1-CG 4.19Å; V99-Q107 HydrophobicContact CG2-CG 3.62Å; N104-Q107 HydrophobicContact CB-CB 4.12Å; N104-Q107 PolarHBondContact O-N 3.05Å; N104-Q107 PolarHBondContact OD1-N 3.36Å; Q107-G111 WeakPolarHBondContact O-CA 3.41Å; Q107-G111 PolarHBondContact O-N 2.83Å
108	Y	98.8	Very high	98.1	Very high	22 Å²	22	50.8 Å²	50.8	9%	0.086	26%	0.261	C	S	.	.	H	α-helix	trans	-59	-48	173.1	172.4	-107.9	0	0	0	112.5	I95 D96 V99 P101 N104 F105 Y106 M699 L707 F752	I95-Y108 CarbonylContact C-O 3.58Å; I95-Y108 VanDerWaalsContact CA-O 3.26Å; I95-Y108 WeakPolarHBondContact CA-O 3.33Å; I95-Y108 HydrophobicContact CG2-CD2 4.16Å; I95-Y108 HydrophobicContact CG2-CE2 3.66Å; D96-Y108 PolarHBondContact N-O 3.21Å; V99-Y108 WeakPolarHBondContact O-CD2 3.37Å; P101-Y108 HydrophobicContact CB-CD1 3.82Å; P101-Y108 HydrophobicContact CB-CE1 4.1Å; P101-Y108 HydrophobicContact CB-CG 4.11Å; N104-Y108 WeakPolarHBondContact O-CB 3.44Å; N104-Y108 PolarHBondContact O-N 2.96Å; F105-Y108 AromaticContact CD2-CD1 3.91Å; F105-Y108 HydrophobicContact CD2-CD1 3.91Å; F105-Y108 AromaticContact CE2-CD1 3.66Å; F105-Y108 HydrophobicContact CE2-CD1 3.66Å; F105-Y108 HydrophobicContact CE2-CE1 4.04Å; F105-Y108 HydrophobicContact CZ-CD1 4.4Å; Y106-Y108 VanDerWaalsContact C-N 3.34Å; Y106-Y108 PolarHBondContact O-N 2.67Å; Y108-M699 HydrophobicContact CE1-CE 4.15Å; Y108-M699 WeakPolarHBondContact OH-CE 3.48Å; Y108-L707 HydrophobicContact CE1-CD1 4.41Å; Y108-F752 HydrophobicContact CE1-CE1 4.35Å
109	A	98.8	Very high	98	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-78.6	-28.8	-174.1	0	0	0	0	0	114.1	N94 F105 Y106 L707 A710 Q711	N94-A109 CarbonylContact C-O 3.56Å; N94-A109 CarbonylContact O-C 3.54Å; N94-A109 VanDerWaalsContact O-O 3.1Å; F105-A109 HydrophobicContact CE1-CB 4.39Å; F105-A109 WeakPolarHBondContact O-CB 3.25Å; F105-A109 PolarHBondContact O-N 2.97Å; Y106-A109 PolarHBondContact O-N 3.43Å; A109-L707 HydrophobicContact CB-CD1 3.79Å; A109-A710 HydrophobicContact CB-CB 3.51Å; A109-Q711 HydrophobicContact CB-CG 4.35Å; A109-Q711 WeakPolarHBondContact O-CG 3.47Å; A109-Q711 PolarHBondContact O-NE2 3Å; A109-Q711 VanDerWaalsContact O-NE2 3.14Å
110	C	98.8	Very high	97.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-120.9	-6.4	-171.1	-65.7	0	0	0	0	114.6	N94 Y106 G112 W113 L114 C714	N94-C110 CarbonylContact O-C 3.6Å; N94-C110 VanDerWaalsContact O-C 3.27Å; N94-C110 WeakPolarHBondContact O-CA 3.27Å; Y106-C110 HydrophobicContact CE1-CB 4.49Å; Y106-C110 HydrophobicContact CE2-CB 4.26Å; Y106-C110 VanDerWaalsContact O-CB 3.25Å; Y106-C110 WeakPolarHBondContact O-CB 3.43Å; Y106-C110 PolarHBondContact O-N 3.26Å; C110-G112 VanDerWaalsContact C-N 3.33Å; C110-G112 PolarHBondContact O-N 3.35Å; C110-W113 CarbonylContact O-C 3.55Å; C110-W113 WeakPolarHBondContact O-CA 3.44Å; C110-W113 VanDerWaalsContact O-CB 3.25Å; C110-W113 WeakPolarHBondContact O-CB 3.35Å; C110-W113 PolarHBondContact O-N 3.01Å; C110-L114 WeakPolarHBondContact O-CG 3.41Å; C110-L114 PolarHBondContact O-N 3.09Å; C110-C714 WeakPolarHBondContact CA-SG 3.35Å; C110-C714 HydrophobicContact CB-CB 3.77Å; C110-C714 WeakPolarHBondContact CB-SG 3.27Å; C110-C714 WeakPolarHBondContact SG-CA 3.2Å; C110-C714 WeakPolarHBondContact SG-CB 3.33Å; C110-C714 CovalentContact SG-SG 2.04Å; C110-C714 PolarHBondContact SG-SG 3.45Å
111	G	98.6	Very high	97.8	Very high	4 Å²	4	45.4 Å²	45.4	4%	0.041	23%	0.229	C	C	.	.	H	α-helix	trans	-59.5	-41.2	-173	0	0	0	0	0	113.2	N94 Q107 W113 L114 E115	N94-G111 PolarHBondContact O-N 2.9Å; Q107-G111 WeakPolarHBondContact O-CA 3.41Å; Q107-G111 PolarHBondContact O-N 2.83Å; G111-W113 VanDerWaalsContact C-N 3.3Å; G111-W113 PolarHBondContact O-N 3.38Å; G111-L114 PolarHBondContact O-N 3.35Å; G111-E115 PolarHBondContact O-N 3.44Å
112	G	98.4	Very high	97.6	Very high	4 Å²	4	46 Å²	46	4%	0.041	23%	0.233	C	C	.	.	H	α-helix	trans	-65.6	-33.4	173	0	0	0	0	0	112.6	N94 C110 R116	N94-G112 WeakPolarHBondContact O-CA 3.43Å; N94-G112 PolarHBondContact O-N 3.01Å; C110-G112 VanDerWaalsContact C-N 3.33Å; C110-G112 PolarHBondContact O-N 3.35Å; G112-R116 PolarHBondContact O-N 3.15Å; G112-R116 PolarHBondContact O-NH1 3.28Å; G112-R116 VanDerWaalsContact O-NH1 3.08Å; G112-R116 PolarHBondContact O-NH2 3.34Å
113	W	98.3	Very high	97.5	Very high	7 Å²	7	46.2 Å²	46.2	3%	0.027	23%	0.234	C	C	.	.	H	α-helix	trans	-65.1	-47	172.7	-172.5	95.4	0	0	0	111.1	N94 C110 G111 E115 R116 H117 H126 I131 C714 G715	N94-W113 HydrophobicContact CB-CB 4.14Å; N94-W113 PolarHBondContact O-N 3.07Å; C110-W113 CarbonylContact O-C 3.55Å; C110-W113 WeakPolarHBondContact O-CA 3.44Å; C110-W113 VanDerWaalsContact O-CB 3.25Å; C110-W113 WeakPolarHBondContact O-CB 3.35Å; C110-W113 PolarHBondContact O-N 3.01Å; G111-W113 VanDerWaalsContact C-N 3.3Å; G111-W113 PolarHBondContact O-N 3.38Å; W113-E115 VanDerWaalsContact C-N 3.33Å; W113-E115 PolarHBondContact O-N 3.31Å; W113-R116 PolarHBondContact O-N 2.78Å; W113-H117 AromaticContact CD1-CE1 3.37Å; W113-H117 AromaticContact CD1-ND1 3.58Å; W113-H117 HydrophobicContact CD2-CB 4.32Å; W113-H117 AromaticContact CD2-CG 3.98Å; W113-H117 AromaticContact CD2-ND1 3.61Å; W113-H117 AromaticContact CE2-CD2 3.88Å; W113-H117 AromaticContact CE2-CE1 3.72Å; W113-H117 AromaticContact CE2-CG 3.6Å; W113-H117 AromaticContact CE2-ND1 3.5Å; W113-H117 AromaticContact CE2-NE2 3.96Å; W113-H117 HydrophobicContact CE3-CB 4.25Å; W113-H117 AromaticContact CG-CE1 3.92Å; W113-H117 AromaticContact CG-ND1 3.66Å; W113-H117 HydrophobicContact CH2-CB 3.84Å; W113-H117 HydrophobicContact CZ2-CB 3.97Å; W113-H117 AromaticContact CZ2-CD2 3.81Å; W113-H117 AromaticContact CZ2-CG 3.69Å; W113-H117 HydrophobicContact CZ3-CB 3.99Å; W113-H117 AromaticContact NE1-CD2 3.95Å; W113-H117 AromaticContact NE1-CE1 3.23Å; W113-H117 PolarHBondContact NE1-CE1 2.81Å; W113-H117 AromaticContact NE1-CG 3.92Å; W113-H117 AromaticContact NE1-ND1 3.48Å; W113-H117 PolarHBondContact NE1-ND1 3.28Å; W113-H117 AromaticContact NE1-NE2 3.54Å; W113-H117 WeakPolarHBondContact O-CB 3Å; W113-H117 PolarHBondContact O-N 2.85Å; W113-H117 PolarHBondContact O-ND1 3.02Å; W113-H126 AromaticContact CH2-CD2 3.66Å; W113-H126 VanDerWaalsContact CH2-O 3.25Å; W113-H126 WeakPolarHBondContact CH2-O 3.43Å; W113-H126 AromaticContact CZ2-CD2 3.85Å; W113-I131 HydrophobicContact CZ2-CD1 3.9Å; W113-C714 HydrophobicContact CB-CB 4.2Å; W113-C714 HydrophobicContact CD2-CB 3.83Å; W113-C714 HydrophobicContact CE3-CB 4.09Å; W113-C714 HydrophobicContact CG-CB 3.86Å; W113-G715 VanDerWaalsContact CZ3-CA 3.41Å
114	L	98	Very high	97.4	Very high	50 Å²	50	43.4 Å²	43.4	26%	0.262	22%	0.221	S	C	.	.	H	α-helix	trans	-63.3	-35.9	-179.9	-66.8	168.8	0	0	0	112.5	Y106 C110 G111 G715 A716	Y106-L114 HydrophobicContact CE1-CD1 3.99Å; C110-L114 WeakPolarHBondContact O-CG 3.41Å; C110-L114 PolarHBondContact O-N 3.09Å; G111-L114 PolarHBondContact O-N 3.35Å; L114-G715 WeakPolarHBondContact CD2-O 3.42Å; L114-A716 HydrophobicContact CD2-CB 4.1Å
115	E	97.1	Very high	97.3	Very high	168 Å²	168	43.2 Å²	43.2	79%	0.785	22%	0.217	S	C	*	.	H	α-helix	trans	-67.8	-37.1	177	-172.3	-178	-175.7	0	0	112.3	G111 W113	G111-E115 PolarHBondContact O-N 3.44Å; W113-E115 VanDerWaalsContact C-N 3.33Å; W113-E115 PolarHBondContact O-N 3.31Å
116	R	96.5	Very high	97.3	Very high	119 Å²	119	44 Å²	44	45%	0.449	22%	0.221	S	C	.	.	H	α-helix	trans	-88	-21	-175.7	-70.4	-169.8	-58.3	-79.5	-11.5	114.6	Q93 N94 G112 W113	Q93-R116 PolarHBondContact O-NH1 2.9Å; Q93-R116 PolarHBondContact O-NH2 2.99Å; N94-R116 PolarHBondContact OD1-NH2 3.47Å; G112-R116 PolarHBondContact O-N 3.15Å; G112-R116 PolarHBondContact O-NH1 3.28Å; G112-R116 VanDerWaalsContact O-NH1 3.08Å; G112-R116 PolarHBondContact O-NH2 3.34Å; W113-R116 PolarHBondContact O-N 2.78Å
117	H	96	Very high	97.2	Very high	58 Å²	58	43.6 Å²	43.6	27%	0.269	22%	0.219	S	C	.	.			trans	-105.3	120	-175.8	-66.3	79.3	0	0	0	111.1	W113 H126	W113-H117 AromaticContact CD1-CE1 3.37Å; W113-H117 AromaticContact CD1-ND1 3.58Å; W113-H117 HydrophobicContact CD2-CB 4.32Å; W113-H117 AromaticContact CD2-CG 3.98Å; W113-H117 AromaticContact CD2-ND1 3.61Å; W113-H117 AromaticContact CE2-CD2 3.88Å; W113-H117 AromaticContact CE2-CE1 3.72Å; W113-H117 AromaticContact CE2-CG 3.6Å; W113-H117 AromaticContact CE2-ND1 3.5Å; W113-H117 AromaticContact CE2-NE2 3.96Å; W113-H117 HydrophobicContact CE3-CB 4.25Å; W113-H117 AromaticContact CG-CE1 3.92Å; W113-H117 AromaticContact CG-ND1 3.66Å; W113-H117 HydrophobicContact CH2-CB 3.84Å; W113-H117 HydrophobicContact CZ2-CB 3.97Å; W113-H117 AromaticContact CZ2-CD2 3.81Å; W113-H117 AromaticContact CZ2-CG 3.69Å; W113-H117 HydrophobicContact CZ3-CB 3.99Å; W113-H117 AromaticContact NE1-CD2 3.95Å; W113-H117 AromaticContact NE1-CE1 3.23Å; W113-H117 PolarHBondContact NE1-CE1 2.81Å; W113-H117 AromaticContact NE1-CG 3.92Å; W113-H117 AromaticContact NE1-ND1 3.48Å; W113-H117 PolarHBondContact NE1-ND1 3.28Å; W113-H117 AromaticContact NE1-NE2 3.54Å; W113-H117 WeakPolarHBondContact O-CB 3Å; W113-H117 PolarHBondContact O-N 2.85Å; W113-H117 PolarHBondContact O-ND1 3.02Å; H117-H126 AromaticContact CD2-NE2 3.67Å
118	V	95.4	Very high	97.2	Very high	123 Å²	123	41.4 Å²	41.4	75%	0.745	21%	0.21	S	C	*	.	P	Polyproline II helix	trans	-97.4	135.1	169.1	-178.8	0	0	0	0	107.9	P120	V118-P120 VanDerWaalsContact O-CD 3.28Å; V118-P120 WeakPolarHBondContact O-CD 3.2Å
119	I	97.2	Very high	97.2	Very high	25 Å²	25	41 Å²	41	13%	0.128	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-60.7	120.7	175.5	-53.9	175.2	0	0	0	108.2	S123 H126 A716 R718	I119-S123 WeakPolarHBondContact CG2-O 3.45Å; I119-H126 HydrophobicContact CB-CB 4.37Å; I119-H126 HydrophobicContact CG1-CB 4.23Å; I119-H126 HydrophobicContact CG2-CB 4.19Å; I119-A716 HydrophobicContact CD1-CB 3.91Å; I119-A716 HydrophobicContact CG1-CB 3.94Å; I119-R718 HydrophobicContact CD1-CG 3.94Å; I119-R718 HydrophobicContact CG2-CG 4.12Å; I119-R718 PolarHBondContact O-NH2 3.15Å; I119-R718 VanDerWaalsContact O-NH2 3.1Å
120	P	96.3	Very high	97.1	Very high	45 Å²	45	42.1 Å²	42.1	29%	0.292	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-56.4	151.6	177.5	-24.9	34.1	0	0	0	112.2	V118 T122 S123 R718	V118-P120 VanDerWaalsContact O-CD 3.28Å; V118-P120 WeakPolarHBondContact O-CD 3.2Å; P120-T122 PolarHBondContact O-N 3.07Å; P120-T122 VanDerWaalsContact O-N 3.12Å; P120-S123 PolarHBondContact O-N 2.93Å; P120-R718 PolarHBondContact O-NH2 3.22Å
121	E	95.5	Very high	97	Very high	91 Å²	91	43.9 Å²	43.9	43%	0.425	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-18.5	-178.7	-72.5	-57.1	104.5	0	0	114	T419 T420 V421 R718	E121-T419 WeakPolarHBondContact O-CA 3.49Å; E121-T420 PolarHBondContact O-N 3.25Å; E121-T420 WeakPolarHBondContact OE2-CG2 3.36Å; E121-T420 PolarHBondContact OE2-OG1 3.07Å; E121-V421 HydrophobicContact CB-CB 4.43Å; E121-V421 HydrophobicContact CB-CG2 4.13Å; E121-V421 PolarHBondContact O-N 3.42Å; E121-R718 IonicContact OE1-CZ 2.76Å; E121-R718 IonicContact OE1-NH1 3.95Å; E121-R718 IonicContact OE1-NH2 3.7Å; E121-R718 PolarHBondContact OE1-NH2 3.38Å
122	T	94.2	Very high	97	Very high	41 Å²	41	44 Å²	44	25%	0.252	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-8.9	176.6	69.9	0	0	0	0	113.2	P120 T419 V421 E422 D423	P120-T122 PolarHBondContact O-N 3.07Å; P120-T122 VanDerWaalsContact O-N 3.12Å; T122-T419 VanDerWaalsContact O-CG2 3.31Å; T122-T419 WeakPolarHBondContact O-CG2 3.29Å; T122-V421 HydrophobicContact CG2-CB 4.02Å; T122-V421 HydrophobicContact CG2-CG1 4.19Å; T122-E422 WeakPolarHBondContact CG2-O 3.47Å; T122-D423 WeakPolarHBondContact CB-OD1 3.22Å; T122-D423 PolarHBondContact OG1-OD1 2.61Å
123	S	96.1	Very high	97	Very high	20 Å²	20	47.7 Å²	47.7	14%	0.14	24%	0.236	C	C	.	.			trans	-110.8	139.2	-174.4	-46.4	0	0	0	0	112.5	I119 P120 R125 T419 R718	I119-S123 WeakPolarHBondContact CG2-O 3.45Å; P120-S123 PolarHBondContact O-N 2.93Å; S123-R125 WeakPolarHBondContact CB-O 3.4Å; S123-T419 VanDerWaalsContact C-CG2 3.41Å; S123-R718 WeakPolarHBondContact O-CD 3.44Å; S123-R718 PolarHBondContact O-NE 2.94Å
124	S	96.1	Very high	96.9	Very high	23 Å²	23	49.1 Å²	49.1	16%	0.161	24%	0.244	C	C	.	.	S	Bend	trans	-87	-26.6	176	-33.1	0	0	0	0	112.3	Y417 R718 Y721	S124-Y417 WeakPolarHBondContact CB-O 3.46Å; S124-Y417 WeakPolarHBondContact OG-CB 3Å; S124-R718 PolarHBondContact O-N 2.82Å; S124-Y721 VanDerWaalsContact CB-CG 3.4Å
125	R	97.1	Very high	96.9	Very high	37 Å²	37	52.3 Å²	52.3	14%	0.14	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	145.4	174.7	-175.8	-172.4	72.3	-174.6	0.8	107.8	S123 D130 A716 Y717 Y721	S123-R125 WeakPolarHBondContact CB-O 3.4Å; R125-D130 IonicContact CZ-OD1 2.71Å; R125-D130 IonicContact CZ-OD2 2.72Å; R125-D130 IonicContact NE-OD1 3.86Å; R125-D130 IonicContact NE-OD2 3.38Å; R125-D130 PolarHBondContact NE-OD2 3.37Å; R125-D130 IonicContact NH2-OD1 3.06Å; R125-D130 PolarHBondContact NH2-OD1 3.43Å; R125-D130 IonicContact NH2-OD2 2.88Å; R125-A716 CarbonylContact C-O 3.27Å; R125-A716 VanDerWaalsContact CA-O 3.3Å; R125-A716 WeakPolarHBondContact CA-O 3.36Å; R125-A716 VanDerWaalsContact CG-O 3.3Å; R125-A716 WeakPolarHBondContact CG-O 3.44Å; R125-Y717 HydrophobicContact CB-CD1 4.16Å; R125-Y717 HydrophobicContact CB-CE1 4.38Å; R125-Y717 HydrophobicContact CG-CD1 3.91Å; R125-Y717 HydrophobicContact CG-CD2 4.24Å; R125-Y717 HydrophobicContact CG-CE1 3.86Å; R125-Y717 HydrophobicContact CG-CE2 4.2Å; R125-Y717 HydrophobicContact CG-CG 4.1Å; R125-Y721 HydrophobicContact CB-CD1 3.92Å; R125-Y721 HydrophobicContact CB-CE1 3.8Å
126	H	97.7	Very high	96.9	Very high	17 Å²	17	44.6 Å²	44.6	8%	0.079	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	125.3	169.5	-168.6	65.8	0	0	0	108.2	W113 H117 I119 G715 A716	W113-H126 AromaticContact CH2-CD2 3.66Å; W113-H126 VanDerWaalsContact CH2-O 3.25Å; W113-H126 WeakPolarHBondContact CH2-O 3.43Å; W113-H126 AromaticContact CZ2-CD2 3.85Å; H117-H126 AromaticContact CD2-NE2 3.67Å; I119-H126 HydrophobicContact CB-CB 4.37Å; I119-H126 HydrophobicContact CG1-CB 4.23Å; I119-H126 HydrophobicContact CG2-CB 4.19Å; H126-G715 CarbonylContact O-C 3.56Å; H126-G715 WeakPolarHBondContact O-CA 3.14Å; H126-A716 PolarHBondContact N-O 2.91Å; H126-A716 PolarHBondContact O-N 3.26Å
127	S	98.1	Very high	97	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	174.5	-175.8	67	0	0	0	0	110.8	F129 D130 I131 C714	S127-F129 PolarHBondContact O-N 3.05Å; S127-F129 PolarHBondContact OG-N 3.26Å; S127-D130 WeakPolarHBondContact CB-OD2 3.48Å; S127-D130 PolarHBondContact N-OD2 3.46Å; S127-D130 PolarHBondContact O-N 2.83Å; S127-D130 VanDerWaalsContact OG-CG 3.24Å; S127-D130 PolarHBondContact OG-N 3.44Å; S127-D130 PolarHBondContact OG-OD2 3.32Å; S127-I131 WeakPolarHBondContact O-CG1 3.4Å; S127-I131 PolarHBondContact O-N 2.98Å; S127-C714 CarbonylContact C-O 3.27Å; S127-C714 VanDerWaalsContact CA-O 3.23Å; S127-C714 WeakPolarHBondContact CA-O 3.3Å; S127-C714 WeakPolarHBondContact CB-O 3.32Å
128	V	98	Very high	97.1	Very high	16 Å²	16	41 Å²	41	10%	0.097	21%	0.21	C	C	.	.	H	α-helix	trans	-53.7	-42.2	171.2	169.9	0	0	0	0	112	D130 I131 L132 P582 Q711 C714	V128-D130 VanDerWaalsContact C-N 3.34Å; V128-D130 PolarHBondContact O-N 2.98Å; V128-I131 PolarHBondContact O-N 2.77Å; V128-L132 HydrophobicContact CG1-CD1 4.43Å; V128-L132 WeakPolarHBondContact O-CG 3.16Å; V128-L132 PolarHBondContact O-N 2.83Å; V128-L132 VanDerWaalsContact O-N 3.1Å; V128-P582 HydrophobicContact CG1-CG 3.57Å; V128-Q711 WeakPolarHBondContact CG2-O 3.35Å; V128-C714 HydrophobicContact CG2-CB 4.18Å; V128-C714 PolarHBondContact N-O 3.4Å
129	F	98	Very high	97.2	Very high	13 Å²	13	37 Å²	37	6%	0.057	19%	0.187	C	C	.	.	H	α-helix	trans	-61.4	-43.3	175.3	-74.9	-96.3	0	0	0	111.7	S127 L132 R133 V561 I578 F583 V712 W713	S127-F129 PolarHBondContact O-N 3.05Å; S127-F129 PolarHBondContact OG-N 3.26Å; F129-L132 PolarHBondContact O-N 2.89Å; F129-R133 VanDerWaalsContact O-CG 3.3Å; F129-R133 WeakPolarHBondContact O-CG 3.45Å; F129-R133 PolarHBondContact O-N 2.98Å; F129-V561 HydrophobicContact CD1-CG1 4.28Å; F129-I578 HydrophobicContact CE1-CD1 4.43Å; F129-F583 HydrophobicContact CD1-CZ 4.14Å; F129-F583 HydrophobicContact CD2-CZ 4.3Å; F129-F583 HydrophobicContact CE1-CE1 4.24Å; F129-F583 HydrophobicContact CE1-CE2 4.36Å; F129-F583 AromaticContact CE1-CZ 3.59Å; F129-F583 HydrophobicContact CE1-CZ 3.59Å; F129-F583 HydrophobicContact CE2-CE1 4.32Å; F129-F583 AromaticContact CE2-CZ 3.76Å; F129-F583 HydrophobicContact CE2-CZ 3.76Å; F129-F583 HydrophobicContact CG-CZ 4.48Å; F129-F583 AromaticContact CZ-CE1 3.79Å; F129-F583 HydrophobicContact CZ-CE1 3.79Å; F129-F583 AromaticContact CZ-CZ 3.39Å; F129-F583 HydrophobicContact CZ-CZ 3.39Å; F129-V712 WeakPolarHBondContact CE2-O 3.48Å; F129-W713 AromaticContact CE2-CE3 3.64Å; F129-W713 HydrophobicContact CE2-CE3 3.64Å; F129-W713 HydrophobicContact CE2-CH2 4.38Å; F129-W713 AromaticContact CE2-CZ3 3.55Å; F129-W713 HydrophobicContact CE2-CZ3 3.55Å; F129-W713 HydrophobicContact CZ-CE3 4.29Å; F129-W713 HydrophobicContact CZ-CH2 4.22Å; F129-W713 AromaticContact CZ-CZ3 3.76Å; F129-W713 HydrophobicContact CZ-CZ3 3.76Å
130	D	97.6	Very high	97.2	Very high	23 Å²	23	35.9 Å²	35.9	12%	0.123	18%	0.181	C	C	.	.	H	α-helix	trans	-68.8	-38.4	-178.3	-53.3	-48.4	0	0	0	111.1	R125 S127 V128 L132 R133 D134	R125-D130 IonicContact CZ-OD1 2.71Å; R125-D130 IonicContact CZ-OD2 2.72Å; R125-D130 IonicContact NE-OD1 3.86Å; R125-D130 IonicContact NE-OD2 3.38Å; R125-D130 PolarHBondContact NE-OD2 3.37Å; R125-D130 IonicContact NH2-OD1 3.06Å; R125-D130 PolarHBondContact NH2-OD1 3.43Å; R125-D130 IonicContact NH2-OD2 2.88Å; S127-D130 WeakPolarHBondContact CB-OD2 3.48Å; S127-D130 PolarHBondContact N-OD2 3.46Å; S127-D130 PolarHBondContact O-N 2.83Å; S127-D130 VanDerWaalsContact OG-CG 3.24Å; S127-D130 PolarHBondContact OG-N 3.44Å; S127-D130 PolarHBondContact OG-OD2 3.32Å; V128-D130 VanDerWaalsContact C-N 3.34Å; V128-D130 PolarHBondContact O-N 2.98Å; D130-L132 VanDerWaalsContact C-N 3.33Å; D130-L132 PolarHBondContact O-N 3.26Å; D130-R133 PolarHBondContact O-N 2.87Å; D130-R133 IonicContact OD1-NH1 3.78Å; D130-R133 PolarHBondContact OD1-NH1 2.92Å; D130-D134 VanDerWaalsContact O-CG 3.32Å; D130-D134 PolarHBondContact O-N 3.14Å
131	I	97.6	Very high	97.3	Very high	37 Å²	37	36.3 Å²	36.3	19%	0.19	18%	0.178	C	C	.	.	H	α-helix	trans	-61.2	-40.7	173.3	-69.8	170.1	0	0	0	111.6	W113 S127 V128 D134 K135	W113-I131 HydrophobicContact CZ2-CD1 3.9Å; S127-I131 WeakPolarHBondContact O-CG1 3.4Å; S127-I131 PolarHBondContact O-N 2.98Å; V128-I131 PolarHBondContact O-N 2.77Å; I131-D134 PolarHBondContact O-N 3.42Å; I131-K135 HydrophobicContact CG2-CD 4.47Å; I131-K135 WeakPolarHBondContact O-CG 3.32Å; I131-K135 PolarHBondContact O-N 3.48Å
132	L	97.6	Very high	97.4	Very high	6 Å²	6	33.4 Å²	33.4	3%	0.031	17%	0.173	C	C	.	.	H	α-helix	trans	-70	-37.8	177.9	-69.3	177.7	0	0	0	112	V128 F129 D130 K135 L136 V561 Q580 P581 F583	V128-L132 HydrophobicContact CG1-CD1 4.43Å; V128-L132 WeakPolarHBondContact O-CG 3.16Å; V128-L132 PolarHBondContact O-N 2.83Å; V128-L132 VanDerWaalsContact O-N 3.1Å; F129-L132 PolarHBondContact O-N 2.89Å; D130-L132 VanDerWaalsContact C-N 3.33Å; D130-L132 PolarHBondContact O-N 3.26Å; L132-K135 PolarHBondContact O-N 3.15Å; L132-L136 WeakPolarHBondContact O-CB 3.25Å; L132-L136 PolarHBondContact O-N 3.28Å; L132-V561 HydrophobicContact CB-CG1 3.9Å; L132-V561 HydrophobicContact CB-CG2 4.15Å; L132-V561 HydrophobicContact CD1-CG1 4.13Å; L132-Q580 HydrophobicContact CD1-CG 4.43Å; L132-Q580 HydrophobicContact CD2-CG 4.21Å; L132-P581 WeakPolarHBondContact CD2-O 3.45Å; L132-F583 HydrophobicContact CD1-CD2 3.94Å; L132-F583 HydrophobicContact CD1-CE2 3.58Å
133	R	97.9	Very high	97.6	Very high	83 Å²	83	32.4 Å²	32.4	31%	0.313	17%	0.167	S	C	.	.	H	α-helix	trans	-61.3	-45.3	171.8	-70.3	168.5	-173.9	172.9	-4.6	110.8	F129 D130 K135 L136 E137 V561	F129-R133 VanDerWaalsContact O-CG 3.3Å; F129-R133 WeakPolarHBondContact O-CG 3.45Å; F129-R133 PolarHBondContact O-N 2.98Å; D130-R133 PolarHBondContact O-N 2.87Å; D130-R133 IonicContact OD1-NH1 3.78Å; D130-R133 PolarHBondContact OD1-NH1 2.92Å; R133-K135 VanDerWaalsContact C-N 3.29Å; R133-K135 PolarHBondContact O-N 2.04Å; R133-L136 WeakPolarHBondContact O-CB 3.48Å; R133-L136 PolarHBondContact O-N 3.46Å; R133-L136 VanDerWaalsContact O-N 3.17Å; R133-E137 WeakPolarHBondContact O-CG 3.47Å; R133-E137 PolarHBondContact O-N 2.97Å; R133-V561 HydrophobicContact CG-CB 3.87Å; R133-V561 HydrophobicContact CG-CG2 3.95Å
134	D	96.9	Very high	97.6	Very high	36 Å²	36	31.7 Å²	31.7	19%	0.193	16%	0.161	C	C	.	.	H	α-helix	trans	-60.2	-38.8	177.7	-74.8	-17.7	0	0	0	112.5	D130 I131 I138 R427	D130-D134 VanDerWaalsContact O-CG 3.32Å; D130-D134 PolarHBondContact O-N 3.14Å; I131-D134 PolarHBondContact O-N 3.42Å; D134-I138 WeakPolarHBondContact O-CG1 3.35Å; D134-I138 PolarHBondContact O-N 3.3Å; D134-R427 PolarHBondContact O-NH1 3.23Å; D134-R427 IonicContact OD1-NH1 3.95Å
135	K	97.3	Very high	97.7	Very high	118 Å²	118	35 Å²	35	51%	0.513	17%	0.174	S	C	.	.	H	α-helix	trans	-69.3	-43.1	174.9	-74.3	176.7	-178.3	179.3	0	112.2	I131 L132 R133 E137 I138 V139	I131-K135 HydrophobicContact CG2-CD 4.47Å; I131-K135 WeakPolarHBondContact O-CG 3.32Å; I131-K135 PolarHBondContact O-N 3.48Å; L132-K135 PolarHBondContact O-N 3.15Å; R133-K135 VanDerWaalsContact C-N 3.29Å; R133-K135 PolarHBondContact O-N 2.04Å; K135-E137 VanDerWaalsContact C-N 3.3Å; K135-E137 PolarHBondContact O-N 3.14Å; K135-I138 WeakPolarHBondContact O-CB 3.33Å; K135-I138 PolarHBondContact O-N 3.14Å; K135-V139 PolarHBondContact O-N 2.93Å
136	L	97.8	Very high	97.6	Very high	5 Å²	5	37.3 Å²	37.3	3%	0.026	19%	0.193	C	C	.	.	H	α-helix	trans	-58.9	-44.8	175.7	-179.3	150.4	0	0	0	110.4	L132 R133 I138 V139 L140 Y445 A559 V561	L132-L136 WeakPolarHBondContact O-CB 3.25Å; L132-L136 PolarHBondContact O-N 3.28Å; R133-L136 WeakPolarHBondContact O-CB 3.48Å; R133-L136 PolarHBondContact O-N 3.46Å; R133-L136 VanDerWaalsContact O-N 3.17Å; L136-I138 VanDerWaalsContact C-N 3.29Å; L136-I138 PolarHBondContact O-N 3.42Å; L136-V139 WeakPolarHBondContact O-CB 3Å; L136-V139 PolarHBondContact O-N 3.33Å; L136-V139 VanDerWaalsContact O-N 3.13Å; L136-L140 HydrophobicContact CD2-CD1 3.54Å; L136-L140 HydrophobicContact CD2-CG 3.89Å; L136-L140 WeakPolarHBondContact O-CG 3.37Å; L136-L140 PolarHBondContact O-N 3.07Å; L136-Y445 HydrophobicContact CB-CE2 4.32Å; L136-Y445 HydrophobicContact CD1-CD2 4.46Å; L136-Y445 HydrophobicContact CD1-CE1 4.16Å; L136-Y445 HydrophobicContact CD1-CE2 3.84Å; L136-Y445 HydrophobicContact CG-CD2 4.12Å; L136-Y445 HydrophobicContact CG-CE2 3.61Å; L136-A559 HydrophobicContact CD1-CB 4.49Å; L136-A559 HydrophobicContact CD2-CB 4.46Å; L136-V561 HydrophobicContact CB-CG2 4.46Å; L136-V561 HydrophobicContact CD1-CG2 3.89Å
137	E	98.1	Very high	97.2	Very high	7 Å²	7	45.4 Å²	45.4	3%	0.033	23%	0.23	C	C	.	.	H	α-helix	trans	-60	-36.8	176.6	-73.1	167.8	-157.3	0	0	112.7	R133 K135 L140 K141 W426 R427 V430 R431	R133-E137 WeakPolarHBondContact O-CG 3.47Å; R133-E137 PolarHBondContact O-N 2.97Å; K135-E137 VanDerWaalsContact C-N 3.3Å; K135-E137 PolarHBondContact O-N 3.14Å; E137-L140 PolarHBondContact O-N 3.28Å; E137-K141 WeakPolarHBondContact O-CB 3.33Å; E137-K141 PolarHBondContact O-N 2.93Å; E137-W426 HydrophobicContact CB-CH2 4.4Å; E137-W426 HydrophobicContact CB-CZ3 4.05Å; E137-R427 WeakPolarHBondContact OE2-CD 3.46Å; E137-R427 WeakPolarHBondContact OE2-CG 3.35Å; E137-R427 IonicContact OE2-CZ 3.53Å; E137-R427 IonicContact OE2-NH1 3.17Å; E137-R427 PolarHBondContact OE2-NH1 2.82Å; E137-V430 HydrophobicContact CB-CG1 4.18Å; E137-V430 HydrophobicContact CG-CG1 4.13Å; E137-R431 HydrophobicContact CG-CG 4.47Å; E137-R431 IonicContact OE1-CZ 3.74Å; E137-R431 IonicContact OE1-NE 3.68Å; E137-R431 PolarHBondContact OE1-NE 3.21Å; E137-R431 IonicContact OE1-NH2 2.65Å; E137-R431 PolarHBondContact OE1-NH2 2.97Å; E137-R431 IonicContact OE2-CZ 2.71Å; E137-R431 IonicContact OE2-NE 3.17Å; E137-R431 IonicContact OE2-NH2 3.99Å; E137-R431 PolarHBondContact OE2-NH2 3.06Å
138	I	98.1	Very high	96.9	Very high	94 Å²	94	47.6 Å²	47.6	48%	0.482	25%	0.246	S	C	.	.	H	α-helix	trans	-63.9	-42.2	175.7	-68.9	164.7	0	0	0	110.9	D134 K135 L136 K141 G142 W426	D134-I138 WeakPolarHBondContact O-CG1 3.35Å; D134-I138 PolarHBondContact O-N 3.3Å; K135-I138 WeakPolarHBondContact O-CB 3.33Å; K135-I138 PolarHBondContact O-N 3.14Å; L136-I138 VanDerWaalsContact C-N 3.29Å; L136-I138 PolarHBondContact O-N 3.42Å; I138-K141 PolarHBondContact O-N 3.48Å; I138-G142 PolarHBondContact O-N 3.34Å; I138-G142 VanDerWaalsContact O-N 3.13Å; I138-W426 HydrophobicContact CG1-CH2 3.85Å
139	V	98	Very high	96.3	Very high	41 Å²	41	56.3 Å²	56.3	25%	0.248	29%	0.285	C	S	.	.	H	α-helix	trans	-61.3	-48.5	174.5	175.5	0	0	0	0	110	K135 L136 K141 G142 V143 Y445 E448 T449	K135-V139 PolarHBondContact O-N 2.93Å; L136-V139 WeakPolarHBondContact O-CB 3Å; L136-V139 PolarHBondContact O-N 3.33Å; L136-V139 VanDerWaalsContact O-N 3.13Å; V139-K141 VanDerWaalsContact C-N 3.33Å; V139-K141 PolarHBondContact O-N 3.49Å; V139-G142 PolarHBondContact O-N 2.96Å; V139-G142 VanDerWaalsContact O-N 3.12Å; V139-V143 PolarHBondContact O-N 3.39Å; V139-Y445 HydrophobicContact CB-CD2 4.36Å; V139-Y445 HydrophobicContact CB-CE2 4.37Å; V139-Y445 HydrophobicContact CG1-CD2 3.94Å; V139-Y445 HydrophobicContact CG1-CE2 4.26Å; V139-E448 HydrophobicContact CG1-CB 4.21Å; V139-E448 HydrophobicContact CG1-CG 3.95Å; V139-T449 HydrophobicContact CG1-CG2 3.77Å; V139-T449 HydrophobicContact CG2-CG2 4.15Å
140	L	98.2	Very high	95.9	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-59.7	-41.8	179.4	-68.5	-169.8	0	0	0	112.6	L136 E137 G142 V143 L144 V430 Q434 V441 Y445 A559	L136-L140 HydrophobicContact CD2-CD1 3.54Å; L136-L140 HydrophobicContact CD2-CG 3.89Å; L136-L140 WeakPolarHBondContact O-CG 3.37Å; L136-L140 PolarHBondContact O-N 3.07Å; E137-L140 PolarHBondContact O-N 3.28Å; L140-G142 VanDerWaalsContact C-N 3.35Å; L140-G142 PolarHBondContact O-N 3.27Å; L140-V143 HydrophobicContact CD2-CG2 4.41Å; L140-V143 VanDerWaalsContact O-CG2 3.29Å; L140-V143 WeakPolarHBondContact O-CG2 3.49Å; L140-V143 PolarHBondContact O-N 2.99Å; L140-L144 VanDerWaalsContact O-CB 3.28Å; L140-L144 WeakPolarHBondContact O-CB 3.44Å; L140-L144 WeakPolarHBondContact O-CD1 3.41Å; L140-L144 VanDerWaalsContact O-CG 3.23Å; L140-L144 WeakPolarHBondContact O-CG 3.37Å; L140-L144 PolarHBondContact O-N 3.06Å; L140-V430 HydrophobicContact CB-CG1 3.52Å; L140-V430 HydrophobicContact CB-CG2 4.46Å; L140-V430 HydrophobicContact CD1-CG1 3.75Å; L140-V430 HydrophobicContact CG-CG1 4.26Å; L140-Q434 HydrophobicContact CD1-CB 4.1Å; L140-Q434 HydrophobicContact CD1-CG 4Å; L140-V441 HydrophobicContact CD1-CG1 3.69Å; L140-V441 HydrophobicContact CD2-CG1 3.45Å; L140-V441 VanDerWaalsContact CD2-CG1 3.45Å; L140-V441 HydrophobicContact CG-CG1 4.15Å; L140-Y445 HydrophobicContact CD2-CD2 4.04Å; L140-Y445 HydrophobicContact CD2-CG 4.31Å; L140-A559 HydrophobicContact CD1-CB 4.5Å; L140-A559 HydrophobicContact CD2-CB 4.39Å
141	K	98.3	Very high	95.6	Very high	54 Å²	54	64 Å²	64	24%	0.235	32%	0.322	C	S	.	.	H	α-helix	trans	-55.2	-51	172.9	-175.9	-167.5	-174.5	-71.1	0	110.9	E137 I138 V139 V143 L144 E145 W426 V430	E137-K141 WeakPolarHBondContact O-CB 3.33Å; E137-K141 PolarHBondContact O-N 2.93Å; I138-K141 PolarHBondContact O-N 3.48Å; V139-K141 VanDerWaalsContact C-N 3.33Å; V139-K141 PolarHBondContact O-N 3.49Å; K141-V143 PolarHBondContact O-N 2.89Å; K141-L144 PolarHBondContact O-N 3.32Å; K141-E145 VanDerWaalsContact CE-OE1 3.29Å; K141-E145 WeakPolarHBondContact CE-OE1 3.41Å; K141-E145 HydrophobicContact CG-CG 4.48Å; K141-E145 IonicContact NZ-OE1 3.88Å; K141-E145 PolarHBondContact NZ-OE1 3.27Å; K141-E145 IonicContact NZ-OE2 3.54Å; K141-E145 PolarHBondContact NZ-OE2 3.01Å; K141-E145 WeakPolarHBondContact O-CB 3.11Å; K141-E145 WeakPolarHBondContact O-CG 3.43Å; K141-E145 PolarHBondContact O-N 3.35Å; K141-W426 HydrophobicContact CB-CE3 3.76Å; K141-W426 HydrophobicContact CB-CZ3 3.8Å; K141-W426 HydrophobicContact CD-CD2 3.61Å; K141-W426 HydrophobicContact CD-CE3 3.55Å; K141-W426 HydrophobicContact CD-CG 4.09Å; K141-W426 HydrophobicContact CD-CH2 4.32Å; K141-W426 HydrophobicContact CD-CZ2 4.38Å; K141-W426 HydrophobicContact CD-CZ3 3.92Å; K141-W426 HydrophobicContact CG-CD2 4.25Å; K141-W426 HydrophobicContact CG-CE3 3.8Å; K141-W426 HydrophobicContact CG-CZ3 4.26Å; K141-V430 HydrophobicContact CB-CG2 4.05Å
142	G	97.7	Very high	95.5	Very high	31 Å²	31	63.6 Å²	63.6	32%	0.32	32%	0.317	S	S	.	.	H	α-helix	trans	-58.7	-46.6	-179.1	0	0	0	0	0	112.8	I138 V139 L140 T146	I138-G142 PolarHBondContact O-N 3.34Å; I138-G142 VanDerWaalsContact O-N 3.13Å; V139-G142 PolarHBondContact O-N 2.96Å; V139-G142 VanDerWaalsContact O-N 3.12Å; L140-G142 VanDerWaalsContact C-N 3.35Å; L140-G142 PolarHBondContact O-N 3.27Å; G142-T146 WeakPolarHBondContact O-CB 3.36Å; G142-T146 PolarHBondContact O-N 3.4Å; G142-T146 VanDerWaalsContact O-N 3.12Å; G142-T146 PolarHBondContact O-OG1 3.4Å
143	V	96.8	Very high	95.4	Very high	20 Å²	20	66.8 Å²	66.8	12%	0.121	33%	0.334	C	S	.	.	H	α-helix	trans	-74.1	-27.9	-178.9	-58.4	0	0	0	0	113.7	V139 L140 K141 K159 L444 E448	V139-V143 PolarHBondContact O-N 3.39Å; L140-V143 HydrophobicContact CD2-CG2 4.41Å; L140-V143 VanDerWaalsContact O-CG2 3.29Å; L140-V143 WeakPolarHBondContact O-CG2 3.49Å; L140-V143 PolarHBondContact O-N 2.99Å; K141-V143 PolarHBondContact O-N 2.89Å; V143-K159 WeakPolarHBondContact O-CE 3.46Å; V143-K159 PolarHBondContact O-NZ 2.8Å; V143-L444 HydrophobicContact CB-CB 4.14Å; V143-L444 HydrophobicContact CB-CD1 4.47Å; V143-L444 HydrophobicContact CG2-CB 3.72Å; V143-L444 HydrophobicContact CG2-CD1 4.08Å; V143-L444 HydrophobicContact CG2-CG 4.45Å; V143-E448 HydrophobicContact CG1-CB 4.34Å; V143-E448 HydrophobicContact CG1-CG 4.43Å
144	L	97.8	Very high	95.4	Very high	4 Å²	4	62.8 Å²	62.8	2%	0.021	32%	0.32	C	S	.	.	H	α-helix	trans	-76.4	-34	175	-73.1	168.5	0	0	0	112.3	L140 K141 A158 K159 Y162 V430 V433 L444	L140-L144 VanDerWaalsContact O-CB 3.28Å; L140-L144 WeakPolarHBondContact O-CB 3.44Å; L140-L144 WeakPolarHBondContact O-CD1 3.41Å; L140-L144 VanDerWaalsContact O-CG 3.23Å; L140-L144 WeakPolarHBondContact O-CG 3.37Å; L140-L144 PolarHBondContact O-N 3.06Å; K141-L144 PolarHBondContact O-N 3.32Å; L144-A158 HydrophobicContact CD2-CB 4.26Å; L144-K159 HydrophobicContact CD2-CG 4.26Å; L144-K159 WeakPolarHBondContact O-CG 3.48Å; L144-Y162 HydrophobicContact CB-CD1 4.05Å; L144-Y162 HydrophobicContact CB-CD2 4.42Å; L144-Y162 HydrophobicContact CB-CE1 4.45Å; L144-Y162 HydrophobicContact CB-CG 4.03Å; L144-Y162 HydrophobicContact CD1-CD2 3.97Å; L144-Y162 HydrophobicContact CD1-CG 4.21Å; L144-V430 HydrophobicContact CD1-CG2 4.18Å; L144-V433 HydrophobicContact CD1-CG1 4.42Å; L144-V433 HydrophobicContact CD2-CG1 4.19Å; L144-L444 HydrophobicContact CD2-CD1 4.17Å
145	E	96.8	Very high	95.4	Very high	92 Å²	92	61.1 Å²	61.1	43%	0.43	31%	0.31	S	S	.	.	H	α-helix	trans	-81.8	-19.8	177.7	-72.8	176.9	169.7	0	0	113.9	K141 E147 Y162	K141-E145 VanDerWaalsContact CE-OE1 3.29Å; K141-E145 WeakPolarHBondContact CE-OE1 3.41Å; K141-E145 HydrophobicContact CG-CG 4.48Å; K141-E145 IonicContact NZ-OE1 3.88Å; K141-E145 PolarHBondContact NZ-OE1 3.27Å; K141-E145 IonicContact NZ-OE2 3.54Å; K141-E145 PolarHBondContact NZ-OE2 3.01Å; K141-E145 WeakPolarHBondContact O-CB 3.11Å; K141-E145 WeakPolarHBondContact O-CG 3.43Å; K141-E145 PolarHBondContact O-N 3.35Å; E145-E147 PolarHBondContact O-N 3.3Å; E145-Y162 HydrophobicContact CG-CE1 3.58Å; E145-Y162 PolarHBondContact OE1-OH 3.45Å
146	T	94.9	Very high	95.4	Very high	87 Å²	87	60 Å²	60	53%	0.534	31%	0.306	S	S	.	.	S	Bend	trans	-77.1	116.7	-178.8	-62.3	0	0	0	0	110.5	G142 K159	G142-T146 WeakPolarHBondContact O-CB 3.36Å; G142-T146 PolarHBondContact O-N 3.4Å; G142-T146 VanDerWaalsContact O-N 3.12Å; G142-T146 PolarHBondContact O-OG1 3.4Å; T146-K159 PolarHBondContact O-NZ 3.26Å
147	E	89.3	Confident	95.4	Very high	187 Å²	187	60.8 Å²	60.8	87%	0.874	31%	0.309	S	S	*	.			trans	-71.6	140.5	173.7	-66.5	-177.2	177.3	0	0	111.9	E145	E145-E147 PolarHBondContact O-N 3.3Å
148	S	91.3	Very high	95.4	Very high	46 Å²	46	60.5 Å²	60.5	32%	0.322	31%	0.307	S	S	.	.			trans	-148.6	122.6	176.4	165.2	0	0	0	0	110.5	Q150 D151	S148-Q150 PolarHBondContact O-N 3.47Å; S148-Q150 PolarHBondContact OG-N 2.76Å; S148-D151 WeakPolarHBondContact CB-OD1 3.38Å; S148-D151 WeakPolarHBondContact O-CB 3.32Å; S148-D151 PolarHBondContact O-N 3.12Å; S148-D151 PolarHBondContact OG-OD1 3.07Å
149	E	86.8	Confident	95.4	Very high	198 Å²	198	57.2 Å²	57.2	93%	0.925	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-19.6	175.2	-64.9	-173.2	166.8	0	0	112.5	D151	E149-D151 VanDerWaalsContact C-N 3.28Å
150	Q	88.3	Confident	95.4	Very high	180 Å²	180	57.4 Å²	57.4	84%	0.841	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-2.6	179.8	-60.6	-178.1	-1.2	0	0	113	S148 R152	S148-Q150 PolarHBondContact O-N 3.47Å; S148-Q150 PolarHBondContact OG-N 2.76Å; Q150-R152 PolarHBondContact O-N 3.33Å
151	D	93.2	Very high	95.4	Very high	19 Å²	19	57.4 Å²	57.4	10%	0.102	29%	0.289	C	S	.	.			trans	-64.3	129.3	179.2	-71	-16.4	0	0	0	111.5	S148 E149 I155 K156 K159	S148-D151 WeakPolarHBondContact CB-OD1 3.38Å; S148-D151 WeakPolarHBondContact O-CB 3.32Å; S148-D151 PolarHBondContact O-N 3.12Å; S148-D151 PolarHBondContact OG-OD1 3.07Å; E149-D151 VanDerWaalsContact C-N 3.28Å; D151-I155 HydrophobicContact CB-CB 4.18Å; D151-I155 HydrophobicContact CB-CG2 3.83Å; D151-I155 VanDerWaalsContact CG-CG2 3.48Å; D151-K156 HydrophobicContact CB-CG 3.88Å; D151-K156 WeakPolarHBondContact O-CE 3.47Å; D151-K156 PolarHBondContact O-NZ 2.95Å; D151-K159 IonicContact OD1-NZ 2.71Å; D151-K159 WeakPolarHBondContact OD2-CE 3.21Å; D151-K159 IonicContact OD2-NZ 2.79Å; D151-K159 PolarHBondContact OD2-NZ 2.86Å
152	R	94.6	Very high	95.4	Very high	27 Å²	27	55.1 Å²	55.1	10%	0.102	28%	0.279	C	S	.	.			trans	-71.1	168.5	167.8	56.4	164.8	19.6	144.7	1.7	112.1	Q150 A154 I155 K156 Q506 E507 N509 D513	Q150-R152 PolarHBondContact O-N 3.33Å; R152-A154 PolarHBondContact O-N 2.8Å; R152-I155 HydrophobicContact CG-CB 4.41Å; R152-I155 HydrophobicContact CG-CD1 3.85Å; R152-I155 HydrophobicContact CG-CG1 3.99Å; R152-I155 PolarHBondContact O-N 3.13Å; R152-I155 VanDerWaalsContact O-N 3.13Å; R152-K156 PolarHBondContact O-N 3.34Å; R152-Q506 PolarHBondContact NH1-O 2.71Å; R152-E507 IonicContact CZ-OE2 3.57Å; R152-E507 IonicContact NH1-OE2 3.6Å; R152-E507 PolarHBondContact NH2-O 3.11Å; R152-N509 PolarHBondContact NH2-O 2.67Å; R152-D513 WeakPolarHBondContact CB-OD1 3.48Å; R152-D513 WeakPolarHBondContact CD-OD1 3.37Å; R152-D513 IonicContact CZ-OD2 3.78Å; R152-D513 IonicContact NE-OD1 3.74Å; R152-D513 PolarHBondContact NE-OD1 3.48Å; R152-D513 IonicContact NE-OD2 2.9Å; R152-D513 PolarHBondContact NE-OD2 3.16Å; R152-D513 IonicContact NH2-OD2 3.94Å; R152-D513 PolarHBondContact NH2-OD2 3.04Å
153	D	95.5	Very high	95.4	Very high	73 Å²	73	56.2 Å²	56.2	39%	0.39	28%	0.282	S	S	.	.	H	α-helix	trans	-58.5	-44.9	-171.9	-171.2	62.8	0	0	0	112.8	I155 K156 K157 D513	D153-I155 VanDerWaalsContact C-N 3.28Å; D153-I155 PolarHBondContact O-N 3.19Å; D153-K156 PolarHBondContact O-N 3.19Å; D153-K157 WeakPolarHBondContact O-CG 3.43Å; D153-K157 PolarHBondContact O-N 3.46Å; D153-K157 WeakPolarHBondContact OD2-CE 3.47Å; D153-K157 IonicContact OD2-NZ 3.77Å; D153-K157 PolarHBondContact OD2-NZ 2.85Å; D153-D513 HydrophobicContact CB-CB 4.48Å; D153-D513 PolarHBondContact N-OD1 3.45Å
154	A	97	Very high	95.5	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-57.8	-40.5	177.3	0	0	0	0	0	112.8	R152 A158 M437 A440 L512 D513 Y516	R152-A154 PolarHBondContact O-N 2.8Å; A154-A158 PolarHBondContact O-N 2.74Å; A154-A158 VanDerWaalsContact O-N 3.11Å; A154-M437 WeakPolarHBondContact O-CE 3.31Å; A154-A440 HydrophobicContact CB-CB 4.2Å; A154-L512 HydrophobicContact CB-CD2 4.45Å; A154-L512 HydrophobicContact CB-CG 3.9Å; A154-D513 WeakPolarHBondContact CB-OD1 3.46Å; A154-D513 PolarHBondContact N-OD1 3.4Å; A154-Y516 HydrophobicContact CB-CD2 3.73Å; A154-Y516 HydrophobicContact CB-CE2 4.41Å
155	I	96.9	Very high	95.5	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-71.3	-42.6	179.5	-67.2	174.6	0	0	0	110.3	D151 R152 D153 K157 A158 K159 L444	D151-I155 HydrophobicContact CB-CB 4.18Å; D151-I155 HydrophobicContact CB-CG2 3.83Å; D151-I155 VanDerWaalsContact CG-CG2 3.48Å; R152-I155 HydrophobicContact CG-CB 4.41Å; R152-I155 HydrophobicContact CG-CD1 3.85Å; R152-I155 HydrophobicContact CG-CG1 3.99Å; R152-I155 PolarHBondContact O-N 3.13Å; R152-I155 VanDerWaalsContact O-N 3.13Å; D153-I155 VanDerWaalsContact C-N 3.28Å; D153-I155 PolarHBondContact O-N 3.19Å; I155-K157 VanDerWaalsContact C-N 3.3Å; I155-K157 PolarHBondContact O-N 3.13Å; I155-A158 WeakPolarHBondContact O-CB 3.43Å; I155-A158 PolarHBondContact O-N 3.36Å; I155-K159 HydrophobicContact CG2-CD 4.35Å; I155-K159 WeakPolarHBondContact O-CG 3.43Å; I155-K159 PolarHBondContact O-N 2.86Å; I155-L444 HydrophobicContact CD1-CD2 3.97Å; I155-L444 HydrophobicContact CD1-CG 4.43Å; I155-L444 HydrophobicContact CG1-CD2 4.39Å; I155-L444 HydrophobicContact CG1-CG 4.44Å; I155-L444 HydrophobicContact CG2-CD1 4.18Å; I155-L444 HydrophobicContact CG2-CD2 3.96Å; I155-L444 HydrophobicContact CG2-CG 4.38Å
156	K	97.2	Very high	95.6	Very high	96 Å²	96	54.3 Å²	54.3	42%	0.417	27%	0.273	S	S	.	.	H	α-helix	trans	-57.6	-44.5	175.2	-74	171	170.2	147.6	0	111.4	D151 R152 D153 A158 K159 I160	D151-K156 HydrophobicContact CB-CG 3.88Å; D151-K156 WeakPolarHBondContact O-CE 3.47Å; D151-K156 PolarHBondContact O-NZ 2.95Å; R152-K156 PolarHBondContact O-N 3.34Å; D153-K156 PolarHBondContact O-N 3.19Å; K156-A158 PolarHBondContact O-N 3.07Å; K156-K159 PolarHBondContact O-N 3.45Å; K156-I160 WeakPolarHBondContact O-CG1 3.4Å; K156-I160 PolarHBondContact O-N 3.02Å
157	K	98	Very high	95.7	Very high	21 Å²	21	53.2 Å²	53.2	9%	0.091	26%	0.264	C	S	.	.	H	α-helix	trans	-60.6	-43.4	175.4	-77	172	176	168.9	0	112.6	D153 I155 K159 I160 L161 M437 Y516 A517 L519 Y521	D153-K157 WeakPolarHBondContact O-CG 3.43Å; D153-K157 PolarHBondContact O-N 3.46Å; D153-K157 WeakPolarHBondContact OD2-CE 3.47Å; D153-K157 IonicContact OD2-NZ 3.77Å; D153-K157 PolarHBondContact OD2-NZ 2.85Å; I155-K157 VanDerWaalsContact C-N 3.3Å; I155-K157 PolarHBondContact O-N 3.13Å; K157-K159 VanDerWaalsContact C-N 3.3Å; K157-K159 PolarHBondContact O-N 2.75Å; K157-I160 PolarHBondContact O-N 3.05Å; K157-L161 WeakPolarHBondContact O-CB 3.42Å; K157-L161 PolarHBondContact O-N 2.95Å; K157-M437 HydrophobicContact CB-CE 3.79Å; K157-M437 HydrophobicContact CB-SD 4.35Å; K157-Y516 PolarHBondContact NZ-O 3.5Å; K157-A517 PolarHBondContact NZ-O 3.11Å; K157-L519 WeakPolarHBondContact CE-O 3.28Å; K157-L519 PolarHBondContact NZ-O 2.86Å; K157-Y521 HydrophobicContact CB-CD2 3.94Å; K157-Y521 HydrophobicContact CB-CE2 4.07Å; K157-Y521 HydrophobicContact CG-CD2 4.39Å; K157-Y521 WeakPolarHBondContact O-CD2 3.29Å
158	A	98.3	Very high	96	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.3	-40.9	175.4	0	0	0	0	0	112.1	L144 A154 I155 K156 L161 Y162 V433 M437 A440 V441	L144-A158 HydrophobicContact CD2-CB 4.26Å; A154-A158 PolarHBondContact O-N 2.74Å; A154-A158 VanDerWaalsContact O-N 3.11Å; I155-A158 WeakPolarHBondContact O-CB 3.43Å; I155-A158 PolarHBondContact O-N 3.36Å; K156-A158 PolarHBondContact O-N 3.07Å; A158-L161 PolarHBondContact O-N 3.21Å; A158-Y162 WeakPolarHBondContact O-CB 3.5Å; A158-Y162 PolarHBondContact O-N 3.41Å; A158-V433 HydrophobicContact CB-CG1 3.89Å; A158-V433 WeakPolarHBondContact O-CG1 3.31Å; A158-M437 WeakPolarHBondContact CA-SD 3.32Å; A158-M437 HydrophobicContact CB-CE 4.28Å; A158-M437 HydrophobicContact CB-SD 3.75Å; A158-M437 PolarHBondContact N-SD 3.43Å; A158-A440 HydrophobicContact CB-CB 4.42Å; A158-V441 HydrophobicContact CB-CG2 4.47Å
159	K	98.2	Very high	96.3	Very high	25 Å²	25	51.3 Å²	51.3	11%	0.109	26%	0.261	C	S	.	.	H	α-helix	trans	-69.1	-40.6	176.6	-66.9	-175.9	177.3	176.9	0	112.8	V143 L144 T146 D151 I155 K156 K157 L161 Y162 S163	V143-K159 WeakPolarHBondContact O-CE 3.46Å; V143-K159 PolarHBondContact O-NZ 2.8Å; L144-K159 HydrophobicContact CD2-CG 4.26Å; L144-K159 WeakPolarHBondContact O-CG 3.48Å; T146-K159 PolarHBondContact O-NZ 3.26Å; D151-K159 IonicContact OD1-NZ 2.71Å; D151-K159 WeakPolarHBondContact OD2-CE 3.21Å; D151-K159 IonicContact OD2-NZ 2.79Å; D151-K159 PolarHBondContact OD2-NZ 2.86Å; I155-K159 HydrophobicContact CG2-CD 4.35Å; I155-K159 WeakPolarHBondContact O-CG 3.43Å; I155-K159 PolarHBondContact O-N 2.86Å; K156-K159 PolarHBondContact O-N 3.45Å; K157-K159 VanDerWaalsContact C-N 3.3Å; K157-K159 PolarHBondContact O-N 2.75Å; K159-L161 VanDerWaalsContact C-N 3.34Å; K159-L161 PolarHBondContact O-N 2.88Å; K159-Y162 WeakPolarHBondContact O-CB 3.36Å; K159-Y162 PolarHBondContact O-N 3.12Å; K159-S163 WeakPolarHBondContact O-CB 3.29Å; K159-S163 PolarHBondContact O-N 3.01Å; K159-S163 PolarHBondContact O-OG 3.47Å; K159-S163 VanDerWaalsContact O-OG 3.12Å
160	I	98.1	Very high	96.9	Very high	46 Å²	46	43.3 Å²	43.3	24%	0.236	22%	0.224	C	C	.	.	H	α-helix	trans	-60.1	-45.4	173.4	-70.6	164.2	0	0	0	110.5	K156 K157 Y162 S163 S164 E523	K156-I160 WeakPolarHBondContact O-CG1 3.4Å; K156-I160 PolarHBondContact O-N 3.02Å; K157-I160 PolarHBondContact O-N 3.05Å; I160-Y162 VanDerWaalsContact C-N 3.33Å; I160-Y162 PolarHBondContact O-N 3.38Å; I160-S163 PolarHBondContact O-N 3.49Å; I160-S164 WeakPolarHBondContact O-CB 3.37Å; I160-S164 PolarHBondContact O-N 3.38Å; I160-E523 HydrophobicContact CB-CG 4.47Å; I160-E523 HydrophobicContact CG1-CG 4.38Å; I160-E523 HydrophobicContact CG2-CG 3.85Å
161	L	98.4	Very high	97.4	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-60.3	-45.4	177.5	-172.8	61.1	0	0	0	111.1	K157 A158 K159 S164 C165 Y432 V433 M437 Y521 N529	K157-L161 WeakPolarHBondContact O-CB 3.42Å; K157-L161 PolarHBondContact O-N 2.95Å; A158-L161 PolarHBondContact O-N 3.21Å; K159-L161 VanDerWaalsContact C-N 3.34Å; K159-L161 PolarHBondContact O-N 2.88Å; L161-S164 PolarHBondContact O-N 2.97Å; L161-S164 PolarHBondContact O-OG 2.94Å; L161-C165 PolarHBondContact O-N 2.69Å; L161-C165 VanDerWaalsContact O-N 3.15Å; L161-Y432 HydrophobicContact CD1-CE1 4.02Å; L161-Y432 HydrophobicContact CD2-CD1 4.36Å; L161-Y432 HydrophobicContact CD2-CE1 4Å; L161-Y432 HydrophobicContact CG-CD1 4.43Å; L161-Y432 HydrophobicContact CG-CE1 4.17Å; L161-V433 HydrophobicContact CB-CG2 4.13Å; L161-V433 HydrophobicContact CD2-CG2 4.04Å; L161-V433 HydrophobicContact CG-CG2 3.91Å; L161-M437 HydrophobicContact CD2-SD 4.46Å; L161-Y521 HydrophobicContact CB-CD2 4.02Å; L161-Y521 HydrophobicContact CB-CE2 4.08Å; L161-Y521 HydrophobicContact CB-CG 4.46Å; L161-Y521 HydrophobicContact CD1-CD1 4.13Å; L161-Y521 HydrophobicContact CD1-CE1 4.1Å; L161-Y521 HydrophobicContact CD1-CG 4.35Å; L161-Y521 HydrophobicContact CD2-CE2 4.18Å; L161-N529 HydrophobicContact CD1-CB 3.58Å
162	Y	98.5	Very high	97.6	Very high	5 Å²	5	39.3 Å²	39.3	2%	0.02	21%	0.205	C	C	.	.	H	α-helix	trans	-58.4	-52.1	174.8	179.6	-104.7	0	0	0	112.2	L144 E145 A158 K159 I160 S164 C165 M166 C429 V430	L144-Y162 HydrophobicContact CB-CD1 4.05Å; L144-Y162 HydrophobicContact CB-CD2 4.42Å; L144-Y162 HydrophobicContact CB-CE1 4.45Å; L144-Y162 HydrophobicContact CB-CG 4.03Å; L144-Y162 HydrophobicContact CD1-CD2 3.97Å; L144-Y162 HydrophobicContact CD1-CG 4.21Å; E145-Y162 HydrophobicContact CG-CE1 3.58Å; E145-Y162 PolarHBondContact OE1-OH 3.45Å; A158-Y162 WeakPolarHBondContact O-CB 3.5Å; A158-Y162 PolarHBondContact O-N 3.41Å; K159-Y162 WeakPolarHBondContact O-CB 3.36Å; K159-Y162 PolarHBondContact O-N 3.12Å; I160-Y162 VanDerWaalsContact C-N 3.33Å; I160-Y162 PolarHBondContact O-N 3.38Å; Y162-S164 VanDerWaalsContact C-N 3.31Å; Y162-S164 PolarHBondContact O-N 3.35Å; Y162-C165 WeakPolarHBondContact O-CB 3.38Å; Y162-C165 PolarHBondContact O-N 3.47Å; Y162-C165 VanDerWaalsContact O-N 3.13Å; Y162-M166 HydrophobicContact CD1-CG 4.21Å; Y162-M166 HydrophobicContact CD2-CG 4.36Å; Y162-M166 HydrophobicContact CE1-CG 3.73Å; Y162-M166 HydrophobicContact CE2-CG 3.88Å; Y162-M166 HydrophobicContact CE2-SD 4.19Å; Y162-M166 WeakPolarHBondContact O-CG 3.29Å; Y162-M166 PolarHBondContact O-N 3.12Å; Y162-C429 HydrophobicContact CD2-CB 3.83Å; Y162-C429 HydrophobicContact CE2-CB 3.79Å; Y162-V430 HydrophobicContact CD2-CG2 4.43Å; Y162-V430 HydrophobicContact CE2-CG2 3.83Å
163	S	98.1	Very high	97.8	Very high	54 Å²	54	45.1 Å²	45.1	38%	0.378	23%	0.234	S	C	.	.	H	α-helix	trans	-59.7	-40.1	179.3	-65.5	0	0	0	0	112.4	K159 I160 C165 M166 N167	K159-S163 WeakPolarHBondContact O-CB 3.29Å; K159-S163 PolarHBondContact O-N 3.01Å; K159-S163 PolarHBondContact O-OG 3.47Å; K159-S163 VanDerWaalsContact O-OG 3.12Å; I160-S163 PolarHBondContact O-N 3.49Å; S163-C165 VanDerWaalsContact C-N 3.32Å; S163-C165 PolarHBondContact O-N 3.22Å; S163-M166 PolarHBondContact O-N 3.44Å; S163-N167 PolarHBondContact O-N 3.04Å
164	S	98.4	Very high	97.9	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.014	22%	0.223	C	C	.	.	H	α-helix	trans	-61.9	-40.3	176.4	77.2	0	0	0	0	112.3	I160 L161 Y162 N167 S522 E523 Y526 N529	I160-S164 WeakPolarHBondContact O-CB 3.37Å; I160-S164 PolarHBondContact O-N 3.38Å; L161-S164 PolarHBondContact O-N 2.97Å; L161-S164 PolarHBondContact O-OG 2.94Å; Y162-S164 VanDerWaalsContact C-N 3.31Å; Y162-S164 PolarHBondContact O-N 3.35Å; S164-N167 PolarHBondContact O-N 3.11Å; S164-S522 VanDerWaalsContact CB-O 3.3Å; S164-S522 WeakPolarHBondContact CB-O 3.39Å; S164-E523 WeakPolarHBondContact CA-O 3.31Å; S164-E523 WeakPolarHBondContact CB-O 3.43Å; S164-Y526 WeakPolarHBondContact O-CB 3.4Å; S164-N529 WeakPolarHBondContact CB-ND2 3.46Å; S164-N529 PolarHBondContact OG-ND2 3.12Å
165	C	98.1	Very high	97.9	Very high	9 Å²	9	45.6 Å²	45.6	6%	0.061	23%	0.233	C	C	.	.	H	α-helix	trans	-68.7	-36.5	177.6	-179	0	0	0	0	112.2	L161 Y162 S163 N167 C429 Y526	L161-C165 PolarHBondContact O-N 2.69Å; L161-C165 VanDerWaalsContact O-N 3.15Å; Y162-C165 WeakPolarHBondContact O-CB 3.38Å; Y162-C165 PolarHBondContact O-N 3.47Å; Y162-C165 VanDerWaalsContact O-N 3.13Å; S163-C165 VanDerWaalsContact C-N 3.32Å; S163-C165 PolarHBondContact O-N 3.22Å; C165-N167 VanDerWaalsContact C-N 3.28Å; C165-N167 PolarHBondContact O-N 2.92Å; C165-C429 HydrophobicContact CB-CB 3.64Å; C165-C429 WeakPolarHBondContact CB-SG 3.27Å; C165-C429 PolarHBondContact O-SG 2.69Å; C165-C429 WeakPolarHBondContact SG-CA 3.4Å; C165-C429 WeakPolarHBondContact SG-CB 3.42Å; C165-C429 CovalentContact SG-SG 2.03Å; C165-C429 PolarHBondContact SG-SG 3.27Å; C165-Y526 HydrophobicContact CB-CD2 3.66Å; C165-Y526 HydrophobicContact CB-CE1 4.39Å; C165-Y526 HydrophobicContact CB-CE2 3.42Å; C165-Y526 VanDerWaalsContact CB-CE2 3.42Å; C165-Y526 HydrophobicContact CB-CG 4.28Å
166	M	97.9	Very high	98	Very high	65 Å²	65	46.1 Å²	46.1	32%	0.32	24%	0.237	S	C	.	.	H	α-helix	trans	-73.2	-16.7	-179.6	-74	-58.4	-62.4	0	0	114.1	Y162 S163 E168 W426 C429	Y162-M166 HydrophobicContact CD1-CG 4.21Å; Y162-M166 HydrophobicContact CD2-CG 4.36Å; Y162-M166 HydrophobicContact CE1-CG 3.73Å; Y162-M166 HydrophobicContact CE2-CG 3.88Å; Y162-M166 HydrophobicContact CE2-SD 4.19Å; Y162-M166 WeakPolarHBondContact O-CG 3.29Å; Y162-M166 PolarHBondContact O-N 3.12Å; S163-M166 PolarHBondContact O-N 3.44Å; M166-E168 PolarHBondContact O-N 3.41Å; M166-W426 HydrophobicContact CE-CB 3.84Å; M166-W426 WeakPolarHBondContact SD-CA 3.43Å; M166-W426 HydrophobicContact SD-CB 3.68Å; M166-C429 HydrophobicContact CG-CB 4.35Å; M166-C429 HydrophobicContact SD-CB 4.08Å
167	N	97.8	Very high	98	Very high	65 Å²	65	46.7 Å²	46.7	35%	0.348	24%	0.241	S	C	.	.			trans	-80.2	68.9	-178.4	-166.6	-11.6	0	0	0	112.2	S163 S164 C165 S169 L170 I171	S163-N167 PolarHBondContact O-N 3.04Å; S164-N167 PolarHBondContact O-N 3.11Å; C165-N167 VanDerWaalsContact C-N 3.28Å; C165-N167 PolarHBondContact O-N 2.92Å; N167-S169 PolarHBondContact O-N 3.42Å; N167-L170 HydrophobicContact CB-CB 4.4Å; N167-L170 PolarHBondContact O-N 3.37Å; N167-L170 VanDerWaalsContact O-N 3.17Å; N167-L170 WeakPolarHBondContact OD1-CB 3.28Å; N167-L170 PolarHBondContact OD1-N 3.26Å; N167-I171 PolarHBondContact O-N 2.64Å; N167-I171 VanDerWaalsContact O-N 3.16Å
168	E	96.3	Very high	98	Very high	95 Å²	95	46 Å²	46	44%	0.444	24%	0.239	S	C	.	.	H	α-helix	trans	-56.8	-37.7	179.6	-66.8	-175.3	173.2	0	0	112.7	M166 L170 I171 E172 S425	M166-E168 PolarHBondContact O-N 3.41Å; E168-L170 VanDerWaalsContact C-N 3.26Å; E168-L170 PolarHBondContact O-N 3.4Å; E168-I171 PolarHBondContact O-N 2.66Å; E168-I171 VanDerWaalsContact O-N 3.15Å; E168-E172 WeakPolarHBondContact O-CB 3.28Å; E168-E172 VanDerWaalsContact O-CG 3.31Å; E168-E172 WeakPolarHBondContact O-CG 3.15Å; E168-E172 PolarHBondContact O-N 2.98Å; E168-S425 WeakPolarHBondContact OE1-CB 3.49Å; E168-S425 PolarHBondContact OE1-OG 3.08Å
169	S	97.9	Very high	98	Very high	97 Å²	97	46 Å²	46	68%	0.678	24%	0.239	S	C	*	.	H	α-helix	trans	-59.3	-39.5	-179.6	-65.8	0	0	0	0	112	N167 Q173	N167-S169 PolarHBondContact O-N 3.42Å; S169-Q173 WeakPolarHBondContact O-CB 3.23Å; S169-Q173 PolarHBondContact O-N 3.35Å
170	L	98	Very high	98	Very high	31 Å²	31	46.2 Å²	46.2	16%	0.162	24%	0.241	C	C	.	.	H	α-helix	trans	-75.9	-35.6	177.4	-173.8	59.1	0	0	0	112.3	N167 E168 E172 Q173 R174 E524	N167-L170 HydrophobicContact CB-CB 4.4Å; N167-L170 PolarHBondContact O-N 3.37Å; N167-L170 VanDerWaalsContact O-N 3.17Å; N167-L170 WeakPolarHBondContact OD1-CB 3.28Å; N167-L170 PolarHBondContact OD1-N 3.26Å; E168-L170 VanDerWaalsContact C-N 3.26Å; E168-L170 PolarHBondContact O-N 3.4Å; L170-E172 VanDerWaalsContact C-N 3.35Å; L170-Q173 PolarHBondContact O-N 3Å; L170-R174 HydrophobicContact CD1-CG 4.26Å; L170-R174 HydrophobicContact CG-CG 4.47Å; L170-R174 WeakPolarHBondContact O-CB 3.44Å; L170-R174 VanDerWaalsContact O-CG 3.27Å; L170-R174 WeakPolarHBondContact O-CG 3.34Å; L170-R174 PolarHBondContact O-N 3.48Å; L170-E524 VanDerWaalsContact CD2-CA 3.42Å; L170-E524 HydrophobicContact CD2-CB 3.71Å; L170-E524 HydrophobicContact CD2-CG 4.07Å; L170-E524 WeakPolarHBondContact CD2-O 3.36Å
171	I	98.2	Very high	98	Very high	26 Å²	26	50.1 Å²	50.1	13%	0.133	26%	0.256	C	S	.	.	H	α-helix	trans	-61.2	-45.6	172.8	-65.6	168.6	0	0	0	110.1	N167 E168 Q173 R174 D175 Y526	N167-I171 PolarHBondContact O-N 2.64Å; N167-I171 VanDerWaalsContact O-N 3.16Å; E168-I171 PolarHBondContact O-N 2.66Å; E168-I171 VanDerWaalsContact O-N 3.15Å; I171-Q173 PolarHBondContact O-N 3.25Å; I171-R174 PolarHBondContact O-N 2.97Å; I171-D175 PolarHBondContact O-N 3.01Å; I171-Y526 HydrophobicContact CD1-CD1 3.77Å; I171-Y526 HydrophobicContact CD1-CE1 4.48Å; I171-Y526 HydrophobicContact CD1-CG 4.43Å; I171-Y526 HydrophobicContact CG1-CD1 4.45Å
172	E	98.2	Very high	97.9	Very high	88 Å²	88	50.3 Å²	50.3	41%	0.411	26%	0.257	S	S	.	.	H	α-helix	trans	-62.6	-40.4	174.8	-69.3	-55.3	133.5	0	0	112.1	E168 L170 D175 S402 R403	E168-E172 WeakPolarHBondContact O-CB 3.28Å; E168-E172 VanDerWaalsContact O-CG 3.31Å; E168-E172 WeakPolarHBondContact O-CG 3.15Å; E168-E172 PolarHBondContact O-N 2.98Å; L170-E172 VanDerWaalsContact C-N 3.35Å; E172-D175 PolarHBondContact O-N 3.34Å; E172-S402 WeakPolarHBondContact OE1-CA 3.4Å; E172-S402 WeakPolarHBondContact OE2-CB 3.42Å; E172-R403 WeakPolarHBondContact OE1-CB 3.48Å; E172-R403 PolarHBondContact OE1-N 3.46Å; E172-R403 PolarHBondContact OE2-N 3.05Å
173	Q	98.3	Very high	97.9	Very high	149 Å²	149	50.1 Å²	50.1	70%	0.696	26%	0.256	S	S	*	.	H	α-helix	trans	-66.5	-38.4	178.5	-175	-177	11.5	0	0	112.8	S169 L170 I171	S169-Q173 WeakPolarHBondContact O-CB 3.23Å; S169-Q173 PolarHBondContact O-N 3.35Å; L170-Q173 PolarHBondContact O-N 3Å; I171-Q173 PolarHBondContact O-N 3.25Å
174	R	97.9	Very high	97.7	Very high	43 Å²	43	52 Å²	52	16%	0.162	26%	0.262	C	S	.	.	H	α-helix	trans	-78.1	-29.3	179.9	-68.6	172.7	72.1	89.9	-6.4	112.1	L170 I171 S176 Q177 H525 E528	L170-R174 HydrophobicContact CD1-CG 4.26Å; L170-R174 HydrophobicContact CG-CG 4.47Å; L170-R174 WeakPolarHBondContact O-CB 3.44Å; L170-R174 VanDerWaalsContact O-CG 3.27Å; L170-R174 WeakPolarHBondContact O-CG 3.34Å; L170-R174 PolarHBondContact O-N 3.48Å; I171-R174 PolarHBondContact O-N 2.97Å; R174-S176 PolarHBondContact O-N 3.04Å; R174-Q177 VanDerWaalsContact O-CB 3.25Å; R174-Q177 WeakPolarHBondContact O-CB 3.32Å; R174-Q177 VanDerWaalsContact O-CG 3.25Å; R174-Q177 WeakPolarHBondContact O-CG 3.21Å; R174-Q177 PolarHBondContact O-N 3.14Å; R174-H525 PolarHBondContact NH1-CE1 3.22Å; R174-H525 VanDerWaalsContact NH1-CE1 3.31Å; R174-H525 PolarHBondContact NH1-ND1 2.9Å; R174-H525 VanDerWaalsContact NH1-ND1 3.12Å; R174-E528 IonicContact CZ-OE1 3.11Å; R174-E528 IonicContact CZ-OE2 2.79Å; R174-E528 VanDerWaalsContact NH2-CD 3.27Å; R174-E528 IonicContact NH2-OE1 2.69Å; R174-E528 PolarHBondContact NH2-OE1 3.02Å; R174-E528 IonicContact NH2-OE2 3.48Å; R174-E528 PolarHBondContact NH2-OE2 3.37Å
175	D	98	Very high	97.6	Very high	41 Å²	41	54.7 Å²	54.7	22%	0.219	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	-120.6	171	-165.6	12.1	0	0	0	112.3	I171 E172 S402 R404 F405	I171-D175 PolarHBondContact O-N 3.01Å; E172-D175 PolarHBondContact O-N 3.34Å; D175-S402 WeakPolarHBondContact OD1-CB 3.42Å; D175-S402 PolarHBondContact OD1-OG 2.88Å; D175-R404 VanDerWaalsContact CG-NH2 3.25Å; D175-R404 IonicContact OD1-CZ 2.87Å; D175-R404 IonicContact OD1-NE 2.76Å; D175-R404 PolarHBondContact OD1-NE 3.35Å; D175-R404 IonicContact OD1-NH2 3.44Å; D175-R404 PolarHBondContact OD1-NH2 2.93Å; D175-R404 IonicContact OD2-CZ 2.92Å; D175-R404 IonicContact OD2-NE 3.97Å; D175-R404 PolarHBondContact OD2-NE 3.48Å; D175-R404 IonicContact OD2-NH2 3.47Å; D175-R404 PolarHBondContact OD2-NH2 2.96Å; D175-F405 WeakPolarHBondContact OD1-CE2 3.4Å
176	S	97.4	Very high	97.4	Very high	11 Å²	11	54.5 Å²	54.5	8%	0.077	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-10.8	-178	62.5	0	0	0	0	115	R174 L179 L180 D281	R174-S176 PolarHBondContact O-N 3.04Å; S176-L179 WeakPolarHBondContact O-CA 2.9Å; S176-L179 WeakPolarHBondContact O-CB 3.45Å; S176-L179 PolarHBondContact O-N 3.35Å; S176-L180 WeakPolarHBondContact O-CG 3.47Å; S176-L180 PolarHBondContact O-N 3.4Å; S176-D281 WeakPolarHBondContact CB-OD2 3.43Å; S176-D281 VanDerWaalsContact OG-CG 3.31Å; S176-D281 PolarHBondContact OG-OD2 3.49Å
177	Q	98.1	Very high	97.1	Very high	108 Å²	108	52.4 Å²	52.4	51%	0.505	27%	0.274	S	S	.	.	H	α-helix	trans	-50.7	-47.1	-176.3	-63.2	177	2.5	0	0	114.3	R174 L179 L180 K181	R174-Q177 VanDerWaalsContact O-CB 3.25Å; R174-Q177 WeakPolarHBondContact O-CB 3.32Å; R174-Q177 VanDerWaalsContact O-CG 3.25Å; R174-Q177 WeakPolarHBondContact O-CG 3.21Å; R174-Q177 PolarHBondContact O-N 3.14Å; Q177-L179 VanDerWaalsContact C-N 3.34Å; Q177-L180 PolarHBondContact O-N 3.34Å; Q177-K181 WeakPolarHBondContact O-CG 3.4Å; Q177-K181 PolarHBondContact O-N 3.36Å
178	P	98.1	Very high	97	Very high	6 Å²	6	50.4 Å²	50.4	4%	0.039	26%	0.264	C	S	.	.	H	α-helix	trans	-67.7	-33.7	178.3	26.2	-34.7	0	0	0	112.9	L182 L401 F527	P178-L182 PolarHBondContact O-N 3.04Å; P178-L401 HydrophobicContact CG-CD2 3.86Å; P178-F527 HydrophobicContact CB-CB 3.83Å; P178-F527 HydrophobicContact CB-CD1 3.59Å; P178-F527 HydrophobicContact CB-CD2 4.23Å; P178-F527 HydrophobicContact CB-CE1 4.12Å; P178-F527 HydrophobicContact CB-CG 3.63Å; P178-F527 HydrophobicContact CG-CB 4.12Å; P178-F527 HydrophobicContact CG-CD1 4.46Å; P178-F527 HydrophobicContact CG-CD2 4.26Å; P178-F527 HydrophobicContact CG-CG 4.05Å
179	L	98.1	Very high	97.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-65.4	-44.4	174.9	176.1	63.9	0	0	0	111.4	S176 Q177 K181 L182 I183 I394 L401 F405	S176-L179 WeakPolarHBondContact O-CA 2.9Å; S176-L179 WeakPolarHBondContact O-CB 3.45Å; S176-L179 PolarHBondContact O-N 3.35Å; Q177-L179 VanDerWaalsContact C-N 3.34Å; L179-K181 VanDerWaalsContact C-N 3.33Å; L179-K181 PolarHBondContact O-N 2.89Å; L179-L182 WeakPolarHBondContact O-CB 3.39Å; L179-L182 PolarHBondContact O-N 3.21Å; L179-L182 VanDerWaalsContact O-N 3.14Å; L179-I183 HydrophobicContact CD1-CD1 4.19Å; L179-I183 HydrophobicContact CD1-CG1 4.33Å; L179-I183 HydrophobicContact CG-CD1 3.95Å; L179-I183 WeakPolarHBondContact O-CG1 3.04Å; L179-I183 PolarHBondContact O-N 3.35Å; L179-I394 HydrophobicContact CD1-CB 4.45Å; L179-I394 HydrophobicContact CD1-CD1 4.27Å; L179-I394 HydrophobicContact CD1-CG1 3.85Å; L179-I394 HydrophobicContact CD1-CG2 4.07Å; L179-I394 HydrophobicContact CD2-CG2 4.48Å; L179-L401 HydrophobicContact CB-CD1 3.9Å; L179-L401 HydrophobicContact CB-CD2 4.05Å; L179-L401 HydrophobicContact CD1-CD1 4.44Å; L179-L401 HydrophobicContact CD2-CD1 3.73Å; L179-L401 HydrophobicContact CG-CD1 4.23Å; L179-F405 HydrophobicContact CD2-CD1 4.25Å; L179-F405 HydrophobicContact CD2-CE1 3.58Å; L179-F405 HydrophobicContact CD2-CZ 4.14Å
180	L	98.2	Very high	97	Very high	30 Å²	30	41.3 Å²	41.3	16%	0.157	21%	0.211	C	C	.	.	H	α-helix	trans	-61.2	-43.2	178.7	-63.6	-179	0	0	0	111.3	S176 Q177 L182 I183 D184 T278 D281 K282	S176-L180 WeakPolarHBondContact O-CG 3.47Å; S176-L180 PolarHBondContact O-N 3.4Å; Q177-L180 PolarHBondContact O-N 3.34Å; L180-L182 VanDerWaalsContact C-N 3.32Å; L180-L182 PolarHBondContact O-N 3.11Å; L180-I183 PolarHBondContact O-N 3.44Å; L180-D184 PolarHBondContact O-N 3.33Å; L180-T278 HydrophobicContact CD2-CG2 3.75Å; L180-D281 HydrophobicContact CD1-CB 4.29Å; L180-K282 HydrophobicContact CD1-CG 4.48Å; L180-K282 HydrophobicContact CD2-CD 4.34Å; L180-K282 HydrophobicContact CD2-CG 3.84Å
181	K	97.9	Very high	97	Very high	127 Å²	127	39.8 Å²	39.8	55%	0.552	20%	0.203	S	C	*	.	H	α-helix	trans	-60.9	-39.8	173.7	-70.4	176.2	-177.8	175.1	0	112.6	Q177 L179 S185	Q177-K181 WeakPolarHBondContact O-CG 3.4Å; Q177-K181 PolarHBondContact O-N 3.36Å; L179-K181 VanDerWaalsContact C-N 3.33Å; L179-K181 PolarHBondContact O-N 2.89Å; K181-S185 WeakPolarHBondContact O-CB 3.28Å; K181-S185 PolarHBondContact O-N 2.79Å
182	L	97.6	Very high	96.9	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.021	20%	0.196	C	C	.	.	H	α-helix	trans	-63.2	-47.6	176.4	179.1	63.2	0	0	0	111	P178 L179 L180 D184 S185 I186 F217 L393 R397 F527 L531	P178-L182 PolarHBondContact O-N 3.04Å; L179-L182 WeakPolarHBondContact O-CB 3.39Å; L179-L182 PolarHBondContact O-N 3.21Å; L179-L182 VanDerWaalsContact O-N 3.14Å; L180-L182 VanDerWaalsContact C-N 3.32Å; L180-L182 PolarHBondContact O-N 3.11Å; L182-D184 VanDerWaalsContact C-N 3.34Å; L182-D184 PolarHBondContact O-N 3Å; L182-S185 WeakPolarHBondContact O-CB 3.33Å; L182-S185 PolarHBondContact O-N 3.22Å; L182-S185 VanDerWaalsContact O-N 3.14Å; L182-S185 PolarHBondContact O-OG 3.32Å; L182-I186 PolarHBondContact O-N 3.26Å; L182-F217 HydrophobicContact CD1-CD1 4.02Å; L182-F217 HydrophobicContact CD1-CE1 3.29Å; L182-F217 HydrophobicContact CD1-CE2 4.48Å; L182-F217 HydrophobicContact CD1-CZ 3.56Å; L182-L393 HydrophobicContact CD1-CD2 3.97Å; L182-L393 HydrophobicContact CD2-CD2 3.97Å; L182-L393 HydrophobicContact CD2-CG 4.12Å; L182-L393 HydrophobicContact CG-CD2 3.94Å; L182-R397 HydrophobicContact CD2-CG 4.18Å; L182-F527 HydrophobicContact CB-CE1 4.27Å; L182-F527 HydrophobicContact CD2-CE1 4.05Å; L182-F527 HydrophobicContact CD2-CZ 3.84Å; L182-L531 HydrophobicContact CD1-CD1 4.21Å; L182-L531 HydrophobicContact CD1-CD2 4.25Å; L182-L531 HydrophobicContact CD2-CD2 4.48Å
183	I	97.1	Very high	96.8	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-56.2	-49.6	176.9	-72.7	169.4	0	0	0	110.5	L179 L180 S185 I186 D188 W189 T278 T390 I394	L179-I183 HydrophobicContact CD1-CD1 4.19Å; L179-I183 HydrophobicContact CD1-CG1 4.33Å; L179-I183 HydrophobicContact CG-CD1 3.95Å; L179-I183 WeakPolarHBondContact O-CG1 3.04Å; L179-I183 PolarHBondContact O-N 3.35Å; L180-I183 PolarHBondContact O-N 3.44Å; I183-S185 VanDerWaalsContact C-N 3.25Å; I183-S185 PolarHBondContact O-N 2.64Å; I183-I186 VanDerWaalsContact O-CG1 3.25Å; I183-I186 WeakPolarHBondContact O-CG1 3.38Å; I183-I186 PolarHBondContact O-N 3.27Å; I183-I186 VanDerWaalsContact O-N 3.15Å; I183-D188 WeakPolarHBondContact CG2-OD1 3.49Å; I183-D188 VanDerWaalsContact O-CA 3.32Å; I183-D188 WeakPolarHBondContact O-CA 3.25Å; I183-D188 PolarHBondContact O-N 3.1Å; I183-W189 HydrophobicContact CD1-CE3 4.14Å; I183-W189 HydrophobicContact CG2-CB 3.75Å; I183-T278 HydrophobicContact CD1-CG2 3.78Å; I183-T390 HydrophobicContact CG1-CG2 4.31Å; I183-I394 HydrophobicContact CD1-CD1 3.75Å; I183-I394 HydrophobicContact CG1-CD1 3.88Å; I183-I394 HydrophobicContact CG1-CG1 4.46Å
184	D	95	Very high	96.5	Very high	94 Å²	94	32.1 Å²	32.1	50%	0.503	17%	0.167	S	C	.	.	H	α-helix	trans	-62.2	-35.7	179.6	-62.2	-16.2	0	0	0	111.4	L180 L182 I186 G187 K282	L180-D184 PolarHBondContact O-N 3.33Å; L182-D184 VanDerWaalsContact C-N 3.34Å; L182-D184 PolarHBondContact O-N 3Å; D184-I186 PolarHBondContact O-N 3.09Å; D184-G187 PolarHBondContact O-N 2.9Å; D184-K282 IonicContact OD1-NZ 3.85Å; D184-K282 PolarHBondContact OD1-NZ 2.87Å
185	S	94.6	Very high	96.1	Very high	59 Å²	59	34.1 Å²	34.1	41%	0.413	18%	0.181	S	C	.	.	H	α-helix	trans	-67.5	-17.7	179.4	80.7	0	0	0	0	114.8	K181 L182 I183	K181-S185 WeakPolarHBondContact O-CB 3.28Å; K181-S185 PolarHBondContact O-N 2.79Å; L182-S185 WeakPolarHBondContact O-CB 3.33Å; L182-S185 PolarHBondContact O-N 3.22Å; L182-S185 VanDerWaalsContact O-N 3.14Å; L182-S185 PolarHBondContact O-OG 3.32Å; I183-S185 VanDerWaalsContact C-N 3.25Å; I183-S185 PolarHBondContact O-N 2.64Å
186	I	94.1	Very high	96	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.021	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	15.9	-179	64.8	158.6	0	0	0	114	L182 I183 D184 M212 L213 F217 Q386 T390 L393	L182-I186 PolarHBondContact O-N 3.26Å; I183-I186 VanDerWaalsContact O-CG1 3.25Å; I183-I186 WeakPolarHBondContact O-CG1 3.38Å; I183-I186 PolarHBondContact O-N 3.27Å; I183-I186 VanDerWaalsContact O-N 3.15Å; D184-I186 PolarHBondContact O-N 3.09Å; I186-M212 VanDerWaalsContact CA-CE 3.49Å; I186-M212 HydrophobicContact CB-CE 3.67Å; I186-M212 HydrophobicContact CG2-CE 3.8Å; I186-M212 HydrophobicContact CG2-SD 4.21Å; I186-L213 HydrophobicContact CG2-CD2 4.43Å; I186-F217 HydrophobicContact CG2-CD2 4.29Å; I186-F217 HydrophobicContact CG2-CE2 3.5Å; I186-F217 VanDerWaalsContact CG2-CE2 3.5Å; I186-F217 HydrophobicContact CG2-CZ 4.01Å; I186-Q386 PolarHBondContact O-NE2 3.11Å; I186-T390 HydrophobicContact CD1-CG2 3.86Å; I186-L393 HydrophobicContact CD1-CD2 3.78Å; I186-L393 HydrophobicContact CG2-CD2 4.05Å
187	G	92.7	Very high	95.6	Very high	21 Å²	21	36 Å²	36	22%	0.216	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.6	31.7	-179.5	0	0	0	0	0	113.7	D184 W196 T200	D184-G187 PolarHBondContact O-N 2.9Å; G187-W196 PolarHBondContact O-NE1 3.28Å; G187-T200 WeakPolarHBondContact O-CG2 3.16Å
188	D	95.4	Very high	95.1	Very high	24 Å²	24	35.6 Å²	35.6	13%	0.128	19%	0.194	C	C	.	.			trans	61.6	170.4	175.9	-164.3	18.6	0	0	0	114.3	I183 S193 K282 Q386	I183-D188 WeakPolarHBondContact CG2-OD1 3.49Å; I183-D188 VanDerWaalsContact O-CA 3.32Å; I183-D188 WeakPolarHBondContact O-CA 3.25Å; I183-D188 PolarHBondContact O-N 3.1Å; D188-S193 WeakPolarHBondContact OD2-CB 3.21Å; D188-S193 PolarHBondContact OD2-OG 3.47Å; D188-K282 IonicContact OD1-NZ 3.68Å; D188-K282 PolarHBondContact OD1-NZ 3.39Å; D188-K282 IonicContact OD2-NZ 3.17Å; D188-Q386 PolarHBondContact O-NE2 2.9Å
189	W	97.4	Very high	94.6	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.216	C	C	.	.			trans	-112	107.8	-179.7	-165.4	14.6	0	0	0	109.7	I183 V191 A192 S193 I274 A275 T278 M295 N387 T390 W391 I394	I183-W189 HydrophobicContact CD1-CE3 4.14Å; I183-W189 HydrophobicContact CG2-CB 3.75Å; W189-V191 VanDerWaalsContact C-N 3.29Å; W189-V191 HydrophobicContact CD2-CG1 3.58Å; W189-V191 HydrophobicContact CE3-CG1 4.19Å; W189-V191 HydrophobicContact CG-CG1 3.89Å; W189-V191 HydrophobicContact CH2-CG1 4.33Å; W189-V191 HydrophobicContact CZ2-CG1 3.75Å; W189-V191 PolarHBondContact O-N 3.45Å; W189-V191 VanDerWaalsContact O-N 3.14Å; W189-A192 HydrophobicContact CB-CB 4.39Å; W189-A192 HydrophobicContact CE3-CB 4.23Å; W189-A192 CarbonylContact O-C 3.52Å; W189-A192 WeakPolarHBondContact O-CA 3.03Å; W189-A192 PolarHBondContact O-N 2.84Å; W189-S193 PolarHBondContact O-N 2.72Å; W189-I274 HydrophobicContact CH2-CB 4.49Å; W189-I274 HydrophobicContact CH2-CG2 3.99Å; W189-I274 HydrophobicContact CZ3-CG2 3.99Å; W189-A275 HydrophobicContact CH2-CB 3.74Å; W189-A275 HydrophobicContact CZ2-CB 4.24Å; W189-A275 HydrophobicContact CZ3-CB 4.15Å; W189-T278 HydrophobicContact CE3-CG2 4.19Å; W189-M295 HydrophobicContact CZ2-CE 4.37Å; W189-M295 HydrophobicContact CZ2-SD 4.02Å; W189-N387 PolarHBondContact NE1-O 3.09Å; W189-N387 PolarHBondContact NE1-OD1 3.45Å; W189-T390 HydrophobicContact CB-CG2 3.66Å; W189-T390 HydrophobicContact CD2-CG2 3.92Å; W189-T390 HydrophobicContact CG-CG2 3.45Å; W189-T390 VanDerWaalsContact CG-CG2 3.45Å; W189-W391 HydrophobicContact CH2-CE3 4.24Å; W189-W391 HydrophobicContact CZ2-CB 4.35Å; W189-W391 HydrophobicContact CZ2-CE3 4.23Å; W189-I394 HydrophobicContact CD2-CD1 3.95Å; W189-I394 HydrophobicContact CE3-CD1 3.55Å; W189-I394 HydrophobicContact CH2-CD1 4.1Å; W189-I394 HydrophobicContact CZ2-CD1 4.43Å; W189-I394 HydrophobicContact CZ3-CD1 3.64Å
190	P	97.6	Very high	94.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-55.2	-36.8	-171.3	-22.4	21.9	0	0	0	115.7	A192 S193 W196 R290 Q383 Q386 N387	P190-A192 PolarHBondContact O-N 2.86Å; P190-S193 PolarHBondContact O-N 2.99Å; P190-W196 HydrophobicContact CB-CB 4.32Å; P190-W196 HydrophobicContact CB-CD2 4.1Å; P190-W196 HydrophobicContact CB-CE3 4.36Å; P190-W196 HydrophobicContact CB-CG 4.04Å; P190-W196 HydrophobicContact CG-CD2 3.66Å; P190-W196 HydrophobicContact CG-CE3 4.06Å; P190-W196 HydrophobicContact CG-CG 3.91Å; P190-W196 HydrophobicContact CG-CZ2 4.29Å; P190-R290 PolarHBondContact O-NH2 2.99Å; P190-Q383 HydrophobicContact CB-CG 3.43Å; P190-Q383 VanDerWaalsContact CB-CG 3.43Å; P190-Q383 HydrophobicContact CG-CG 4Å; P190-Q386 HydrophobicContact CG-CB 3.84Å; P190-Q386 HydrophobicContact CG-CG 3.76Å; P190-N387 WeakPolarHBondContact CB-OD1 3.45Å; P190-N387 VanDerWaalsContact CD-OD1 3.23Å; P190-N387 WeakPolarHBondContact CD-OD1 3.49Å; P190-N387 WeakPolarHBondContact CG-OD1 3.27Å
191	V	97.7	Very high	93.6	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-64.2	-24.2	175.9	71	0	0	0	0	112.3	W189 A275 R279 V291 E294 M295 N387	W189-V191 VanDerWaalsContact C-N 3.29Å; W189-V191 HydrophobicContact CD2-CG1 3.58Å; W189-V191 HydrophobicContact CE3-CG1 4.19Å; W189-V191 HydrophobicContact CG-CG1 3.89Å; W189-V191 HydrophobicContact CH2-CG1 4.33Å; W189-V191 HydrophobicContact CZ2-CG1 3.75Å; W189-V191 PolarHBondContact O-N 3.45Å; W189-V191 VanDerWaalsContact O-N 3.14Å; V191-A275 HydrophobicContact CG1-CB 3.88Å; V191-A275 HydrophobicContact CG2-CB 4.22Å; V191-R279 WeakPolarHBondContact O-CD 3.5Å; V191-R279 PolarHBondContact O-NH1 2.91Å; V191-V291 HydrophobicContact CG2-CB 4.25Å; V191-V291 HydrophobicContact CG2-CG1 4.15Å; V191-V291 HydrophobicContact CG2-CG2 4.05Å; V191-E294 WeakPolarHBondContact CA-OE2 3.47Å; V191-E294 HydrophobicContact CB-CB 4.31Å; V191-E294 WeakPolarHBondContact CB-OE2 3.45Å; V191-E294 HydrophobicContact CG2-CB 3.87Å; V191-E294 HydrophobicContact CG2-CG 4.46Å; V191-E294 PolarHBondContact N-OE2 2.05Å; V191-M295 HydrophobicContact CB-CE 3.81Å; V191-M295 HydrophobicContact CG1-CE 3.75Å; V191-M295 HydrophobicContact CG2-CE 3.96Å; V191-N387 PolarHBondContact N-OD1 3.44Å
192	A	96.6	Very high	93	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-111.5	34.4	176.7	0	0	0	0	0	112.4	W189 P190 T278 R279 K282 L284	W189-A192 HydrophobicContact CB-CB 4.39Å; W189-A192 HydrophobicContact CE3-CB 4.23Å; W189-A192 CarbonylContact O-C 3.52Å; W189-A192 WeakPolarHBondContact O-CA 3.03Å; W189-A192 PolarHBondContact O-N 2.84Å; P190-A192 PolarHBondContact O-N 2.86Å; A192-T278 HydrophobicContact CB-CG2 3.64Å; A192-R279 HydrophobicContact CB-CG 3.85Å; A192-K282 WeakPolarHBondContact O-CD 3.45Å; A192-L284 VanDerWaalsContact C-CD1 3.43Å; A192-L284 WeakPolarHBondContact O-CD1 3.43Å
193	S	94.8	Very high	92.6	Very high	6 Å²	6	46.2 Å²	46.2	4%	0.042	27%	0.27	C	S	.	.			trans	-143.2	149.7	179.2	-166.3	0	0	0	0	110.8	D188 W189 P190 R290	D188-S193 WeakPolarHBondContact OD2-CB 3.21Å; D188-S193 PolarHBondContact OD2-OG 3.47Å; W189-S193 PolarHBondContact O-N 2.72Å; P190-S193 PolarHBondContact O-N 2.99Å; S193-R290 PolarHBondContact O-NH2 3.26Å
194	E	91.6	Very high	92.5	Very high	96 Å²	96	48.2 Å²	48.2	45%	0.449	28%	0.278	S	S	.	.	S	Bend	trans	-100.8	-25.1	179.9	-63.1	-62.7	175	0	0	113.3	R279 L284 R290	E194-R279 IonicContact OE1-CZ 3.37Å; E194-R279 IonicContact OE1-NH1 3.7Å; E194-R279 IonicContact OE1-NH2 2.71Å; E194-R279 PolarHBondContact OE1-NH2 3.19Å; E194-L284 HydrophobicContact CG-CD2 4.05Å; E194-R290 IonicContact OE2-NH1 3.22Å; E194-R290 PolarHBondContact OE2-NH1 2.89Å
195	D	90.9	Very high	92.4	Very high	84 Å²	84	44.4 Å²	44.4	45%	0.449	26%	0.259	S	S	.	.	S	Bend	trans	-129.3	14.8	-171.2	65	-10.4	0	0	0	113.2	N197 T198 T199	D195-N197 VanDerWaalsContact C-N 3.27Å; D195-N197 PolarHBondContact O-N 3.47Å; D195-N197 VanDerWaalsContact O-N 3.12Å; D195-T198 PolarHBondContact O-N 2.75Å; D195-T198 PolarHBondContact O-OG1 3.05Å; D195-T199 HydrophobicContact CB-CG2 4.17Å; D195-T199 PolarHBondContact O-N 3.12Å; D195-T199 PolarHBondContact O-OG1 2.78Å; D195-T199 VanDerWaalsContact O-OG1 3.08Å; D195-T199 VanDerWaalsContact OD2-CG2 3.25Å; D195-T199 WeakPolarHBondContact OD2-CG2 3.22Å
196	W	94.3	Very high	92.4	Very high	7 Å²	7	42.5 Å²	42.5	3%	0.027	24%	0.244	C	C	.	.	H	α-helix	trans	-47.6	-45.6	-176.5	-173.9	87.6	0	0	0	113.7	G187 P190 T198 T199 T200 G201 W204 I382 Q383 Q386	G187-W196 PolarHBondContact O-NE1 3.28Å; P190-W196 HydrophobicContact CB-CB 4.32Å; P190-W196 HydrophobicContact CB-CD2 4.1Å; P190-W196 HydrophobicContact CB-CE3 4.36Å; P190-W196 HydrophobicContact CB-CG 4.04Å; P190-W196 HydrophobicContact CG-CD2 3.66Å; P190-W196 HydrophobicContact CG-CE3 4.06Å; P190-W196 HydrophobicContact CG-CG 3.91Å; P190-W196 HydrophobicContact CG-CZ2 4.29Å; W196-T198 VanDerWaalsContact C-N 3.26Å; W196-T198 PolarHBondContact O-N 3.44Å; W196-T199 PolarHBondContact O-N 3.1Å; W196-T200 PolarHBondContact O-N 3Å; W196-G201 PolarHBondContact O-N 2.99Å; W196-W204 HydrophobicContact CH2-CB 4.27Å; W196-W204 HydrophobicContact CH2-CG 4.06Å; W196-W204 HydrophobicContact CZ2-CB 4.39Å; W196-W204 AromaticContact CZ2-CD1 3.77Å; W196-W204 HydrophobicContact CZ2-CG 4.08Å; W196-I382 HydrophobicContact CH2-CD1 4.17Å; W196-I382 HydrophobicContact CH2-CG1 4.24Å; W196-I382 HydrophobicContact CZ3-CD1 4Å; W196-I382 HydrophobicContact CZ3-CG1 4.02Å; W196-Q383 HydrophobicContact CZ3-CB 4.34Å; W196-Q386 HydrophobicContact CH2-CB 4Å; W196-Q386 HydrophobicContact CH2-CG 4.4Å; W196-Q386 HydrophobicContact CZ2-CB 3.68Å; W196-Q386 HydrophobicContact CZ2-CG 3.58Å
197	N	90.4	Very high	92.5	Very high	85 Å²	85	43.6 Å²	43.6	46%	0.455	25%	0.249	S	C	.	.	H	α-helix	trans	-59.6	-36.7	-179.3	-75.1	-31.3	0	0	0	112.5	D195	D195-N197 VanDerWaalsContact C-N 3.27Å; D195-N197 PolarHBondContact O-N 3.47Å; D195-N197 VanDerWaalsContact O-N 3.12Å
198	T	87.9	Confident	92.7	Very high	99 Å²	99	45.7 Å²	45.7	61%	0.607	26%	0.255	S	S	*	.	H	α-helix	trans	-89.7	-22.3	-177.2	45.9	0	0	0	0	113.6	D195 W196	D195-T198 PolarHBondContact O-N 2.75Å; D195-T198 PolarHBondContact O-OG1 3.05Å; W196-T198 VanDerWaalsContact C-N 3.26Å; W196-T198 PolarHBondContact O-N 3.44Å
199	T	87	Confident	92.7	Very high	79 Å²	79	45 Å²	45	49%	0.485	25%	0.252	S	S	.	.	H	α-helix	trans	-99.7	-45.9	-176.8	54.4	0	0	0	0	112.8	D195 W196	D195-T199 HydrophobicContact CB-CG2 4.17Å; D195-T199 PolarHBondContact O-N 3.12Å; D195-T199 PolarHBondContact O-OG1 2.78Å; D195-T199 VanDerWaalsContact O-OG1 3.08Å; D195-T199 VanDerWaalsContact OD2-CG2 3.25Å; D195-T199 WeakPolarHBondContact OD2-CG2 3.22Å; W196-T199 PolarHBondContact O-N 3.1Å
200	T	87.4	Confident	92.7	Very high	43 Å²	43	45.2 Å²	45.2	26%	0.264	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.1	-35.8	-171.7	-53.4	0	0	0	0	111.8	G187 W196 E202 A203 W204	G187-T200 WeakPolarHBondContact O-CG2 3.16Å; W196-T200 PolarHBondContact O-N 3Å; T200-E202 VanDerWaalsContact C-N 3.29Å; T200-E202 PolarHBondContact O-N 3.33Å; T200-A203 PolarHBondContact O-N 2.91Å; T200-W204 PolarHBondContact O-N 2.9Å
201	G	86.8	Confident	92.7	Very high	7 Å²	7	45.4 Å²	45.4	7%	0.072	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-32.8	-174.5	0	0	0	0	0	114.6	W196 A203 W204 I382	W196-G201 PolarHBondContact O-N 2.99Å; G201-A203 PolarHBondContact O-N 3.29Å; G201-W204 PolarHBondContact O-N 3.43Å; G201-I382 WeakPolarHBondContact O-CD1 3.42Å
202	E	87	Confident	92.7	Very high	171 Å²	171	47.1 Å²	47.1	80%	0.799	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-33.8	179.5	-65.6	-168.5	165.2	0	0	113.5	T200	T200-E202 VanDerWaalsContact C-N 3.29Å; T200-E202 PolarHBondContact O-N 3.33Å
203	A	88.9	Confident	92.7	Very high	90 Å²	90	47.1 Å²	47.1	74%	0.744	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-3.7	-179.8	0	0	0	0	0	112.9	T200 G201	T200-A203 PolarHBondContact O-N 2.91Å; G201-A203 PolarHBondContact O-N 3.29Å
204	W	94.3	Very high	92.8	Very high	43 Å²	43	47.2 Å²	47.2	16%	0.163	26%	0.264	C	S	.	.			trans	-68.2	136.3	-174.6	-175.9	90.6	0	0	0	111.6	W196 T200 G201 L206 T209 I382 M385 L389	W196-W204 HydrophobicContact CH2-CB 4.27Å; W196-W204 HydrophobicContact CH2-CG 4.06Å; W196-W204 HydrophobicContact CZ2-CB 4.39Å; W196-W204 AromaticContact CZ2-CD1 3.77Å; W196-W204 HydrophobicContact CZ2-CG 4.08Å; T200-W204 PolarHBondContact O-N 2.9Å; G201-W204 PolarHBondContact O-N 3.43Å; W204-L206 HydrophobicContact CH2-CB 3.62Å; W204-L206 HydrophobicContact CH2-CD1 3.88Å; W204-L206 HydrophobicContact CH2-CG 4.3Å; W204-L206 HydrophobicContact CZ2-CB 4.33Å; W204-L206 HydrophobicContact CZ2-CD1 4.13Å; W204-L206 HydrophobicContact CZ3-CB 4.02Å; W204-T209 PolarHBondContact NE1-OG1 3.4Å; W204-I382 HydrophobicContact CE3-CB 3.84Å; W204-I382 HydrophobicContact CE3-CG2 3.81Å; W204-I382 HydrophobicContact CZ3-CB 3.89Å; W204-I382 HydrophobicContact CZ3-CG2 3.65Å; W204-M385 HydrophobicContact CH2-CB 4.14Å; W204-M385 HydrophobicContact CH2-CG 3.76Å; W204-M385 HydrophobicContact CZ2-CB 4.43Å; W204-M385 HydrophobicContact CZ2-CG 4.04Å; W204-L389 HydrophobicContact CZ2-CD1 4Å
205	S	93.7	Very high	93	Very high	15 Å²	15	42.7 Å²	42.7	11%	0.105	24%	0.243	C	C	.	.			trans	-131.7	143.1	169.3	81.7	0	0	0	0	109.9	E207 D208 T209	S205-E207 VanDerWaalsContact C-N 3.34Å; S205-D208 WeakPolarHBondContact OG-CB 3.12Å; S205-D208 PolarHBondContact OG-N 3.42Å; S205-D208 VanDerWaalsContact OG-N 3.11Å; S205-D208 PolarHBondContact OG-OD2 3.24Å; S205-T209 WeakPolarHBondContact O-CB 3.39Å; S205-T209 PolarHBondContact O-N 3.06Å; S205-T209 PolarHBondContact O-OG1 3.04Å
206	L	94.8	Very high	93.3	Very high	19 Å²	19	45.2 Å²	45.2	10%	0.099	25%	0.246	C	C	.	.	H	α-helix	trans	-67.1	-42	177	-178.7	57.5	0	0	0	109.9	W204 D208 T209 L210 F339 L377 M385 L389	W204-L206 HydrophobicContact CH2-CB 3.62Å; W204-L206 HydrophobicContact CH2-CD1 3.88Å; W204-L206 HydrophobicContact CH2-CG 4.3Å; W204-L206 HydrophobicContact CZ2-CB 4.33Å; W204-L206 HydrophobicContact CZ2-CD1 4.13Å; W204-L206 HydrophobicContact CZ3-CB 4.02Å; L206-D208 PolarHBondContact O-N 3.31Å; L206-T209 PolarHBondContact O-N 3.48Å; L206-L210 HydrophobicContact CD1-CD1 3.96Å; L206-L210 HydrophobicContact CD1-CD2 4.23Å; L206-L210 HydrophobicContact CD1-CG 3.81Å; L206-L210 HydrophobicContact CG-CD1 3.93Å; L206-L210 HydrophobicContact CG-CG 4.16Å; L206-L210 WeakPolarHBondContact O-CB 3.23Å; L206-L210 VanDerWaalsContact O-CG 3.27Å; L206-L210 WeakPolarHBondContact O-CG 3.33Å; L206-L210 PolarHBondContact O-N 3.33Å; L206-F339 HydrophobicContact CD2-CD2 4.14Å; L206-F339 HydrophobicContact CD2-CE2 4.21Å; L206-F339 HydrophobicContact CG-CD2 4.4Å; L206-F339 HydrophobicContact CG-CE2 4.09Å; L206-L377 HydrophobicContact CD2-CD1 4.34Å; L206-L377 HydrophobicContact CD2-CD2 4.43Å; L206-M385 HydrophobicContact CD1-CG 3.87Å; L206-M385 HydrophobicContact CD1-SD 4.25Å; L206-L389 HydrophobicContact CD1-CD1 3.87Å
207	E	95.6	Very high	93.3	Very high	27 Å²	27	45.8 Å²	45.8	13%	0.126	25%	0.248	C	C	.	.	H	α-helix	trans	-58.4	-49.8	-178	-61.6	87.6	158	0	0	112.4	S205 A211 F339 N340 R343 F344	S205-E207 VanDerWaalsContact C-N 3.34Å; E207-A211 VanDerWaalsContact O-CB 3.24Å; E207-A211 WeakPolarHBondContact O-CB 3.25Å; E207-A211 PolarHBondContact O-N 3.29Å; E207-F339 HydrophobicContact CB-CE2 4.4Å; E207-F339 HydrophobicContact CG-CD2 3.86Å; E207-F339 HydrophobicContact CG-CE2 3.69Å; E207-F339 HydrophobicContact CG-CG 4.41Å; E207-F339 HydrophobicContact CG-CZ 4.08Å; E207-N340 HydrophobicContact CG-CB 4.26Å; E207-N340 PolarHBondContact OE1-N 3.02Å; E207-R343 HydrophobicContact CB-CB 4.39Å; E207-R343 HydrophobicContact CB-CG 4.13Å; E207-F344 HydrophobicContact CB-CB 4.17Å; E207-F344 HydrophobicContact CG-CB 4.42Å
208	D	95.8	Very high	93.6	Very high	64 Å²	64	44.3 Å²	44.3	34%	0.342	24%	0.239	S	C	.	.	H	α-helix	trans	-71.7	-35.4	-177.6	-57.7	-31.9	0	0	0	111.1	S205 L206 A211 M212 R343	S205-D208 WeakPolarHBondContact OG-CB 3.12Å; S205-D208 PolarHBondContact OG-N 3.42Å; S205-D208 VanDerWaalsContact OG-N 3.11Å; S205-D208 PolarHBondContact OG-OD2 3.24Å; L206-D208 PolarHBondContact O-N 3.31Å; D208-A211 PolarHBondContact O-N 3.44Å; D208-M212 VanDerWaalsContact O-CB 3.3Å; D208-M212 WeakPolarHBondContact O-CB 3.47Å; D208-M212 PolarHBondContact O-N 2.77Å; D208-R343 IonicContact OD1-CZ 2.82Å; D208-R343 IonicContact OD1-NE 2.86Å; D208-R343 PolarHBondContact OD1-NE 2.87Å; D208-R343 IonicContact OD1-NH2 3.66Å; D208-R343 IonicContact OD2-CZ 2.81Å; D208-R343 VanDerWaalsContact OD2-CZ 3.29Å; D208-R343 IonicContact OD2-NE 2.74Å; D208-R343 PolarHBondContact OD2-NE 3.1Å; D208-R343 IonicContact OD2-NH2 3.29Å; D208-R343 PolarHBondContact OD2-NH2 3.38Å
209	T	96.6	Very high	94	Very high	11 Å²	11	41 Å²	41	7%	0.067	22%	0.216	C	C	.	.	H	α-helix	trans	-66.2	-47.1	177.7	-53.5	0	0	0	0	110.5	W204 S205 L206 A211 M212 L213 L389	W204-T209 PolarHBondContact NE1-OG1 3.4Å; S205-T209 WeakPolarHBondContact O-CB 3.39Å; S205-T209 PolarHBondContact O-N 3.06Å; S205-T209 PolarHBondContact O-OG1 3.04Å; L206-T209 PolarHBondContact O-N 3.48Å; T209-A211 VanDerWaalsContact C-N 3.34Å; T209-A211 PolarHBondContact O-N 2.92Å; T209-M212 HydrophobicContact CG2-CE 4.25Å; T209-M212 PolarHBondContact O-N 3.31Å; T209-L213 HydrophobicContact CG2-CD1 4.23Å; T209-L213 VanDerWaalsContact O-CG 3.28Å; T209-L213 WeakPolarHBondContact O-CG 3.46Å; T209-L213 PolarHBondContact O-N 2.87Å; T209-L389 HydrophobicContact CG2-CD1 3.67Å
210	L	97.1	Very high	94.3	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.016	21%	0.205	C	C	.	.	H	α-helix	trans	-61.7	-42.9	173.9	-68.5	-174.9	0	0	0	111.3	L206 M212 L213 T214 V221 V222 L223 F339 F344 L389	L206-L210 HydrophobicContact CD1-CD1 3.96Å; L206-L210 HydrophobicContact CD1-CD2 4.23Å; L206-L210 HydrophobicContact CD1-CG 3.81Å; L206-L210 HydrophobicContact CG-CD1 3.93Å; L206-L210 HydrophobicContact CG-CG 4.16Å; L206-L210 WeakPolarHBondContact O-CB 3.23Å; L206-L210 VanDerWaalsContact O-CG 3.27Å; L206-L210 WeakPolarHBondContact O-CG 3.33Å; L206-L210 PolarHBondContact O-N 3.33Å; L210-M212 VanDerWaalsContact C-N 3.32Å; L210-M212 PolarHBondContact O-N 2.81Å; L210-L213 PolarHBondContact O-N 3.17Å; L210-T214 WeakPolarHBondContact O-CB 3.09Å; L210-T214 PolarHBondContact O-N 3.41Å; L210-T214 PolarHBondContact O-OG1 2.78Å; L210-T214 VanDerWaalsContact O-OG1 3.11Å; L210-V221 HydrophobicContact CD2-CG1 3.86Å; L210-V221 WeakPolarHBondContact CD2-O 3.33Å; L210-V222 HydrophobicContact CD1-CB 4.27Å; L210-V222 HydrophobicContact CD2-CB 4.27Å; L210-V222 HydrophobicContact CD2-CG2 4.44Å; L210-L223 HydrophobicContact CD1-CD1 4.24Å; L210-F339 HydrophobicContact CD1-CE2 4.02Å; L210-F339 HydrophobicContact CD1-CZ 4.19Å; L210-F344 HydrophobicContact CB-CD2 3.88Å; L210-F344 HydrophobicContact CB-CE2 3.61Å; L210-F344 HydrophobicContact CB-CZ 4.46Å; L210-L389 HydrophobicContact CD2-CD1 4.45Å; L210-L389 HydrophobicContact CD2-CD2 3.67Å
211	A	97.4	Very high	94.6	Very high	4 Å²	4	38.2 Å²	38.2	3%	0.033	19%	0.193	C	C	.	.	H	α-helix	trans	-60.6	-42.6	178.5	0	0	0	0	0	112	E207 D208 T209 A215 F344 V348	E207-A211 VanDerWaalsContact O-CB 3.24Å; E207-A211 WeakPolarHBondContact O-CB 3.25Å; E207-A211 PolarHBondContact O-N 3.29Å; D208-A211 PolarHBondContact O-N 3.44Å; T209-A211 VanDerWaalsContact C-N 3.34Å; T209-A211 PolarHBondContact O-N 2.92Å; A211-A215 WeakPolarHBondContact O-CB 3.45Å; A211-A215 PolarHBondContact O-N 2.97Å; A211-F344 HydrophobicContact CB-CD2 3.98Å; A211-F344 HydrophobicContact CB-CE2 4.39Å; A211-V348 HydrophobicContact CB-CG2 3.88Å
212	M	96.8	Very high	95.1	Very high	36 Å²	36	37.9 Å²	37.9	18%	0.177	19%	0.19	C	C	.	.	H	α-helix	trans	-63.9	-45.8	175.2	175	179.5	58.4	0	0	112	I186 D208 T209 L210 A215 R216 F217	I186-M212 VanDerWaalsContact CA-CE 3.49Å; I186-M212 HydrophobicContact CB-CE 3.67Å; I186-M212 HydrophobicContact CG2-CE 3.8Å; I186-M212 HydrophobicContact CG2-SD 4.21Å; D208-M212 VanDerWaalsContact O-CB 3.3Å; D208-M212 WeakPolarHBondContact O-CB 3.47Å; D208-M212 PolarHBondContact O-N 2.77Å; T209-M212 HydrophobicContact CG2-CE 4.25Å; T209-M212 PolarHBondContact O-N 3.31Å; L210-M212 VanDerWaalsContact C-N 3.32Å; L210-M212 PolarHBondContact O-N 2.81Å; M212-A215 PolarHBondContact O-N 2.68Å; M212-R216 WeakPolarHBondContact O-CB 3.3Å; M212-R216 PolarHBondContact O-N 2.86Å; M212-F217 HydrophobicContact CG-CE2 4.18Å
213	L	97.5	Very high	95.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-60.6	-46.1	178.3	-71.2	174.4	0	0	0	111.8	I186 T209 L210 F217 H218 K219 V221 L389 L393	I186-L213 HydrophobicContact CG2-CD2 4.43Å; T209-L213 HydrophobicContact CG2-CD1 4.23Å; T209-L213 VanDerWaalsContact O-CG 3.28Å; T209-L213 WeakPolarHBondContact O-CG 3.46Å; T209-L213 PolarHBondContact O-N 2.87Å; L210-L213 PolarHBondContact O-N 3.17Å; L213-F217 HydrophobicContact CD2-CD2 4.1Å; L213-F217 CarbonylContact O-C 3.52Å; L213-F217 WeakPolarHBondContact O-CA 3.41Å; L213-F217 WeakPolarHBondContact O-CB 3.38Å; L213-F217 PolarHBondContact O-N 3.31Å; L213-F217 VanDerWaalsContact O-N 3.15Å; L213-H218 PolarHBondContact O-N 3.28Å; L213-K219 CarbonylContact C-O 3.23Å; L213-K219 HydrophobicContact CB-CB 4.37Å; L213-K219 PolarHBondContact O-N 3.27Å; L213-V221 HydrophobicContact CD1-CG1 3.63Å; L213-L389 HydrophobicContact CD1-CB 4.03Å; L213-L389 HydrophobicContact CD1-CD2 4.29Å; L213-L393 HydrophobicContact CD2-CB 4.4Å; L213-L393 HydrophobicContact CD2-CD2 3.94Å
214	T	97.3	Very high	95.8	Very high	9 Å²	9	26.6 Å²	26.6	6%	0.055	12%	0.123	C	C	.	.	H	α-helix	trans	-65.1	-49.5	177.1	-60.2	0	0	0	0	111.8	L210 H218 V348	L210-T214 WeakPolarHBondContact O-CB 3.09Å; L210-T214 PolarHBondContact O-N 3.41Å; L210-T214 PolarHBondContact O-OG1 2.78Å; L210-T214 VanDerWaalsContact O-OG1 3.11Å; T214-H218 WeakPolarHBondContact O-CA 3.46Å; T214-H218 PolarHBondContact O-N 3.25Å; T214-V348 HydrophobicContact CG2-CG1 4Å; T214-V348 HydrophobicContact CG2-CG2 4.13Å
215	A	96.4	Very high	96	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.008	12%	0.116	C	C	.	.	H	α-helix	trans	-83	-26.5	-169.3	0	0	0	0	0	114.9	A211 M212 V348 T351 L542	A211-A215 WeakPolarHBondContact O-CB 3.45Å; A211-A215 PolarHBondContact O-N 2.97Å; M212-A215 PolarHBondContact O-N 2.68Å; A215-V348 HydrophobicContact CB-CG1 4.3Å; A215-T351 HydrophobicContact CB-CG2 3.64Å; A215-L542 HydrophobicContact CB-CD1 4.38Å
216	R	95.3	Very high	96.2	Very high	137 Å²	137	26 Å²	26	52%	0.517	12%	0.119	S	C	.	.	H	α-helix	trans	-105.5	-30.6	-178.1	-62.3	-170.2	179.1	179.8	-0.7	113.9	M212 K535	M212-R216 WeakPolarHBondContact O-CB 3.3Å; M212-R216 PolarHBondContact O-N 2.86Å; R216-K535 WeakPolarHBondContact O-CA 3.42Å; R216-K535 WeakPolarHBondContact O-CB 3.38Å; R216-K535 PolarHBondContact O-N 2.89Å
217	F	96.1	Very high	96.3	Very high	18 Å²	18	25.2 Å²	25.2	8%	0.079	12%	0.115	C	C	.	.	H	α-helix	trans	-119.1	3.5	-172.2	-56	-68	0	0	0	113	L182 I186 M212 L213 K219 L393 L531	L182-F217 HydrophobicContact CD1-CD1 4.02Å; L182-F217 HydrophobicContact CD1-CE1 3.29Å; L182-F217 HydrophobicContact CD1-CE2 4.48Å; L182-F217 HydrophobicContact CD1-CZ 3.56Å; I186-F217 HydrophobicContact CG2-CD2 4.29Å; I186-F217 HydrophobicContact CG2-CE2 3.5Å; I186-F217 VanDerWaalsContact CG2-CE2 3.5Å; I186-F217 HydrophobicContact CG2-CZ 4.01Å; M212-F217 HydrophobicContact CG-CE2 4.18Å; L213-F217 HydrophobicContact CD2-CD2 4.1Å; L213-F217 CarbonylContact O-C 3.52Å; L213-F217 WeakPolarHBondContact O-CA 3.41Å; L213-F217 WeakPolarHBondContact O-CB 3.38Å; L213-F217 PolarHBondContact O-N 3.31Å; L213-F217 VanDerWaalsContact O-N 3.15Å; F217-K219 HydrophobicContact CB-CB 4.36Å; F217-K219 PolarHBondContact O-N 3.1Å; F217-L393 HydrophobicContact CB-CD1 3.8Å; F217-L393 HydrophobicContact CD2-CD2 4.39Å; F217-L393 HydrophobicContact CG-CD1 4.11Å; F217-L393 HydrophobicContact CG-CD2 4.44Å; F217-L531 HydrophobicContact CD1-CD2 4.08Å; F217-L531 HydrophobicContact CE1-CD2 4.2Å
218	H	95.5	Very high	96.4	Very high	55 Å²	55	29.6 Å²	29.6	26%	0.255	13%	0.13	S	C	.	.			trans	51.4	28.2	-175.8	-154.8	60.4	0	0	0	112.9	L213 T214 L534 A538	L213-H218 PolarHBondContact O-N 3.28Å; T214-H218 WeakPolarHBondContact O-CA 3.46Å; T214-H218 PolarHBondContact O-N 3.25Å; H218-L534 HydrophobicContact CB-CB 4.46Å; H218-L534 HydrophobicContact CB-CD2 4.31Å; H218-A538 HydrophobicContact CB-CB 4.1Å; H218-A538 WeakPolarHBondContact ND1-CA 3.49Å
219	K	95.9	Very high	96.4	Very high	29 Å²	29	26.8 Å²	26.8	13%	0.126	12%	0.116	C	C	.	.			trans	-100	112.1	-173.5	-174.2	66.3	-176.6	-172.3	0	110.5	L213 F217 Q392 L393 D396	L213-K219 CarbonylContact C-O 3.23Å; L213-K219 HydrophobicContact CB-CB 4.37Å; L213-K219 PolarHBondContact O-N 3.27Å; F217-K219 HydrophobicContact CB-CB 4.36Å; F217-K219 PolarHBondContact O-N 3.1Å; K219-Q392 VanDerWaalsContact CE-C 3.49Å; K219-Q392 WeakPolarHBondContact CE-O 3.48Å; K219-Q392 PolarHBondContact NZ-O 3.43Å; K219-L393 HydrophobicContact CB-CD1 4.34Å; K219-D396 IonicContact NZ-OD2 2.8Å; K219-D396 PolarHBondContact NZ-OD2 3.37Å
220	K	93.9	Very high	96.5	Very high	61 Å²	61	26.3 Å²	26.3	27%	0.265	11%	0.113	S	C	.	.			trans	-92.8	104.1	178.7	-61.3	154.4	161.9	-136.8	0	109.2	D224	K220-D224 HydrophobicContact CB-CB 4.27Å; K220-D224 VanDerWaalsContact CD-CG 3.47Å; K220-D224 WeakPolarHBondContact CD-OD1 3.37Å; K220-D224 WeakPolarHBondContact CD-OD2 3.48Å; K220-D224 WeakPolarHBondContact CE-OD1 3.45Å; K220-D224 VanDerWaalsContact CG-OD1 3.24Å; K220-D224 WeakPolarHBondContact CG-OD1 3.21Å; K220-D224 IonicContact NZ-OD1 2.78Å; K220-D224 PolarHBondContact NZ-OD1 3.32Å; K220-D224 IonicContact NZ-OD2 2.78Å; K220-D224 PolarHBondContact NZ-OD2 3.04Å
221	V	94.9	Very high	96.5	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.012	11%	0.113	C	C	.	.			trans	-138.5	138.6	-175.9	59.9	0	0	0	0	109.3	L210 L213 L223 Y388 L389 Q392	L210-V221 HydrophobicContact CD2-CG1 3.86Å; L210-V221 WeakPolarHBondContact CD2-O 3.33Å; L213-V221 HydrophobicContact CD1-CG1 3.63Å; V221-L223 PolarHBondContact N-O 3.4Å; V221-L223 PolarHBondContact O-N 3.28Å; V221-Y388 HydrophobicContact CG2-CD1 4.13Å; V221-Y388 HydrophobicContact CG2-CE1 3.44Å; V221-Y388 VanDerWaalsContact CG2-CE1 3.44Å; V221-L389 HydrophobicContact CB-CD2 4.3Å; V221-L389 HydrophobicContact CG1-CD2 3.54Å; V221-L389 HydrophobicContact CG2-CD2 3.77Å; V221-Q392 HydrophobicContact CB-CB 4.42Å; V221-Q392 HydrophobicContact CG2-CB 3.89Å; V221-Q392 HydrophobicContact CG2-CG 3.72Å
222	V	95.6	Very high	96.5	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.006	14%	0.137	C	C	.	.	S	Bend	trans	63.8	-40.6	-168.5	-173.9	0	0	0	0	113.5	L210 P244 Y369 M373 L377 M385 Y388 L389	L210-V222 HydrophobicContact CD1-CB 4.27Å; L210-V222 HydrophobicContact CD2-CB 4.27Å; L210-V222 HydrophobicContact CD2-CG2 4.44Å; V222-P244 WeakPolarHBondContact O-CD 3.28Å; V222-Y369 PolarHBondContact O-OH 3.24Å; V222-M373 HydrophobicContact CG1-CE 3.69Å; V222-L377 HydrophobicContact CG1-CD2 4.35Å; V222-M385 HydrophobicContact CG2-SD 4.01Å; V222-Y388 HydrophobicContact CG2-CD1 4.31Å; V222-Y388 HydrophobicContact CG2-CE1 3.88Å; V222-L389 HydrophobicContact CG2-CD2 3.89Å
223	L	94.9	Very high	96.5	Very high	2 Å²	2	34 Å²	34	1%	0.01	14%	0.143	C	C	.	.	S	Bend	trans	-138.9	139.2	176.1	-66.3	169.4	0	0	0	108.9	L210 V221 F336 F339 W341 F344 Y369 L370	L210-L223 HydrophobicContact CD1-CD1 4.24Å; V221-L223 PolarHBondContact N-O 3.4Å; V221-L223 PolarHBondContact O-N 3.28Å; L223-F336 HydrophobicContact CD1-CZ 4.4Å; L223-F336 HydrophobicContact CD2-CZ 4.22Å; L223-F339 HydrophobicContact CD1-CE1 3.97Å; L223-F339 HydrophobicContact CD1-CZ 3.82Å; L223-W341 HydrophobicContact CD1-CH2 3.74Å; L223-W341 HydrophobicContact CD1-CZ3 3.77Å; L223-W341 HydrophobicContact CD2-CH2 3.85Å; L223-W341 HydrophobicContact CD2-CZ3 4.48Å; L223-W341 HydrophobicContact CG-CH2 4.45Å; L223-F344 HydrophobicContact CD1-CE1 4.33Å; L223-Y369 HydrophobicContact CD2-CE1 4.24Å; L223-L370 HydrophobicContact CD2-CD2 3.49Å; L223-L370 VanDerWaalsContact CD2-CD2 3.49Å
224	D	97.1	Very high	96.4	Very high	22 Å²	22	34.5 Å²	34.5	12%	0.118	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	109.4	165.4	-170.9	-5	0	0	0	109.1	K220 Y226 I241 D242	K220-D224 HydrophobicContact CB-CB 4.27Å; K220-D224 VanDerWaalsContact CD-CG 3.47Å; K220-D224 WeakPolarHBondContact CD-OD1 3.37Å; K220-D224 WeakPolarHBondContact CD-OD2 3.48Å; K220-D224 WeakPolarHBondContact CE-OD1 3.45Å; K220-D224 VanDerWaalsContact CG-OD1 3.24Å; K220-D224 WeakPolarHBondContact CG-OD1 3.21Å; K220-D224 IonicContact NZ-OD1 2.78Å; K220-D224 PolarHBondContact NZ-OD1 3.32Å; K220-D224 IonicContact NZ-OD2 2.78Å; K220-D224 PolarHBondContact NZ-OD2 3.04Å; D224-Y226 VanDerWaalsContact OD1-CD1 3.29Å; D224-Y226 WeakPolarHBondContact OD1-CD1 3.49Å; D224-I241 CarbonylContact O-C 3.58Å; D224-I241 WeakPolarHBondContact O-CA 3.47Å; D224-D242 HydrophobicContact CB-CB 4.22Å; D224-D242 PolarHBondContact N-O 3.3Å; D224-D242 PolarHBondContact O-N 2.84Å
225	L	97.7	Very high	96.4	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.021	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	124.2	168.7	-177.5	159.4	0	0	0	108.7	I239 Y240 I241 F344 I345 V348 L542	L225-I239 HydrophobicContact CD1-CG2 4.21Å; L225-I239 HydrophobicContact CD2-CG2 4.27Å; L225-I239 HydrophobicContact CG-CG2 3.95Å; L225-Y240 WeakPolarHBondContact CA-O 3.33Å; L225-I241 HydrophobicContact CB-CD1 3.94Å; L225-I241 HydrophobicContact CD1-CD1 3.73Å; L225-I241 HydrophobicContact CG-CD1 3.81Å; L225-F344 HydrophobicContact CB-CE1 4.03Å; L225-F344 HydrophobicContact CB-CZ 3.95Å; L225-F344 HydrophobicContact CD1-CD1 4.22Å; L225-F344 HydrophobicContact CD1-CE1 3.52Å; L225-F344 HydrophobicContact CD1-CZ 3.93Å; L225-F344 HydrophobicContact CG-CE1 4.45Å; L225-I345 HydrophobicContact CD1-CB 4.33Å; L225-I345 HydrophobicContact CD1-CD1 4.28Å; L225-I345 HydrophobicContact CD1-CG1 3.7Å; L225-I345 HydrophobicContact CD1-CG2 4.18Å; L225-V348 HydrophobicContact CD2-CG1 4.13Å; L225-L542 HydrophobicContact CD2-CD2 4.27Å
226	Y	97.4	Very high	96.4	Very high	41 Å²	41	44.8 Å²	44.8	16%	0.161	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	161.8	176.2	62.2	-81.7	0	0	0	111.4	D224 W228 Y240 D242	D224-Y226 VanDerWaalsContact OD1-CD1 3.29Å; D224-Y226 WeakPolarHBondContact OD1-CD1 3.49Å; Y226-W228 HydrophobicContact CD2-CB 3.83Å; Y226-W228 HydrophobicContact CE2-CB 3.73Å; Y226-W228 HydrophobicContact CE2-CG 4.35Å; Y226-Y240 HydrophobicContact CD2-CD2 4.48Å; Y226-Y240 HydrophobicContact CD2-CG 4.44Å; Y226-Y240 HydrophobicContact CE1-CG 4.44Å; Y226-Y240 HydrophobicContact CE2-CD1 4.41Å; Y226-Y240 AromaticContact CE2-CD2 3.96Å; Y226-Y240 HydrophobicContact CE2-CD2 3.96Å; Y226-Y240 AromaticContact CE2-CG 3.72Å; Y226-Y240 HydrophobicContact CE2-CG 3.72Å; Y226-Y240 AromaticContact CZ-CG 3.72Å; Y226-Y240 PolarHBondContact N-O 3.39Å; Y226-Y240 PolarHBondContact O-N 3.05Å; Y226-D242 HydrophobicContact CE1-CB 4.22Å
227	V	98	Very high	96.5	Very high	2 Å²	2	39 Å²	39	1%	0.012	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	124.4	175.2	172.9	0	0	0	0	107.8	H237 I239 L542 K544 L545	V227-H237 HydrophobicContact CG1-CB 3.79Å; V227-I239 HydrophobicContact CG2-CG1 4.46Å; V227-L542 HydrophobicContact CG2-CD2 4.11Å; V227-K544 HydrophobicContact CG1-CB 4.1Å; V227-L545 HydrophobicContact CG1-CB 3.83Å; V227-L545 HydrophobicContact CG1-CD1 4.36Å; V227-L545 HydrophobicContact CG2-CB 4.02Å; V227-L545 HydrophobicContact CG2-CD1 4.48Å
228	W	96.2	Very high	96.6	Very high	119 Å²	119	38.3 Å²	38.3	45%	0.451	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	170.3	-179.3	-162.4	-107.5	0	0	0	111.2	Y226 D230 H237 I238 Y240	Y226-W228 HydrophobicContact CD2-CB 3.83Å; Y226-W228 HydrophobicContact CE2-CB 3.73Å; Y226-W228 HydrophobicContact CE2-CG 4.35Å; W228-D230 PolarHBondContact O-N 3.23Å; W228-H237 CarbonylContact O-C 3.35Å; W228-H237 WeakPolarHBondContact O-CA 3.36Å; W228-H237 WeakPolarHBondContact O-CB 3.3Å; W228-I238 PolarHBondContact N-O 3.49Å; W228-I238 VanDerWaalsContact N-O 3.14Å; W228-I238 PolarHBondContact O-N 3.49Å; W228-Y240 HydrophobicContact CB-CD2 3.77Å; W228-Y240 HydrophobicContact CB-CE2 3.77Å
229	T	96.8	Very high	96.8	Very high	6 Å²	6	35.7 Å²	35.7	4%	0.037	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	133.5	172.8	-60.1	0	0	0	0	109.8	D231 R236 Y240 V549 N568	T229-D231 PolarHBondContact O-N 2.96Å; T229-R236 WeakPolarHBondContact CA-O 3.43Å; T229-Y240 PolarHBondContact O-OH 2.91Å; T229-V549 HydrophobicContact CG2-CG2 4.06Å; T229-N568 HydrophobicContact CG2-CB 3.7Å
230	D	97.8	Very high	96.9	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	122.6	176.2	-177.8	-9.5	0	0	0	109.5	W228 R232 D233 S234 R236 I238 Y322	W228-D230 PolarHBondContact O-N 3.23Å; D230-R232 PolarHBondContact O-N 3.33Å; D230-R232 VanDerWaalsContact O-N 3.14Å; D230-R232 PolarHBondContact OD1-N 3.28Å; D230-D233 HydrophobicContact CB-CB 4.3Å; D230-D233 CarbonylContact O-C 3.59Å; D230-D233 PolarHBondContact O-N 3.41Å; D230-S234 PolarHBondContact O-N 3.13Å; D230-R236 HydrophobicContact CB-CG 4.08Å; D230-R236 PolarHBondContact N-O 2.86Å; D230-R236 IonicContact OD2-CZ 3.12Å; D230-R236 VanDerWaalsContact OD2-CZ 3.26Å; D230-R236 IonicContact OD2-NE 2.88Å; D230-R236 PolarHBondContact OD2-NE 3.34Å; D230-R236 VanDerWaalsContact OD2-NE 3.11Å; D230-R236 IonicContact OD2-NH2 3.69Å; D230-R236 PolarHBondContact OD2-NH2 3.33Å; D230-I238 HydrophobicContact CB-CB 4.13Å; D230-I238 HydrophobicContact CB-CG2 3.63Å; D230-Y322 WeakPolarHBondContact OD1-CE2 3.21Å; D230-Y322 PolarHBondContact OD1-OH 3.46Å
231	D	97.3	Very high	97.1	Very high	5 Å²	5	31.5 Å²	31.5	3%	0.027	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-32	-179.8	-59.4	-54.2	0	0	0	112.7	T229 Y240 Y322 Y365 N568 F616 N621 M622	T229-D231 PolarHBondContact O-N 2.96Å; D231-Y240 PolarHBondContact N-OH 3.02Å; D231-Y240 VanDerWaalsContact N-OH 3.08Å; D231-Y240 PolarHBondContact OD2-OH 2.83Å; D231-Y322 HydrophobicContact CB-CD2 3.82Å; D231-Y322 HydrophobicContact CB-CE2 3.84Å; D231-Y322 WeakPolarHBondContact OD2-CD2 3.45Å; D231-Y365 PolarHBondContact OD2-OH 3.17Å; D231-N568 PolarHBondContact OD1-ND2 3.49Å; D231-N568 VanDerWaalsContact OD1-ND2 3.1Å; D231-F616 HydrophobicContact CB-CE1 4.08Å; D231-N621 CarbonylContact O-C 3.38Å; D231-M622 HydrophobicContact CB-CB 4.02Å; D231-M622 HydrophobicContact CB-CE 4.21Å; D231-M622 HydrophobicContact CB-SD 4.47Å; D231-M622 VanDerWaalsContact O-CB 3.23Å; D231-M622 WeakPolarHBondContact O-CB 3.48Å; D231-M622 PolarHBondContact O-N 2.93Å
232	R	97.2	Very high	97.3	Very high	140 Å²	140	32 Å²	32	53%	0.528	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-6.1	178.8	-65.3	-170.3	-176.8	-176.6	2.8	113.9	D230 Y322 M622	D230-R232 PolarHBondContact O-N 3.33Å; D230-R232 VanDerWaalsContact O-N 3.14Å; D230-R232 PolarHBondContact OD1-N 3.28Å; R232-Y322 VanDerWaalsContact CD-CE1 3.44Å; R232-Y322 HydrophobicContact CG-CD1 4.33Å; R232-Y322 HydrophobicContact CG-CE1 3.82Å; R232-Y322 HydrophobicContact CG-CE2 4.1Å; R232-Y322 VanDerWaalsContact NE-CD1 3.35Å; R232-Y322 VanDerWaalsContact NE-CE1 3.34Å; R232-M622 HydrophobicContact CG-CB 4.5Å; R232-M622 HydrophobicContact CG-CE 3.8Å
233	D	97.1	Very high	97.4	Very high	58 Å²	58	33.3 Å²	33.3	31%	0.31	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	86.6	177	-175.7	-1.8	0	0	0	110.5	D230 Q235 R236	D230-D233 HydrophobicContact CB-CB 4.3Å; D230-D233 CarbonylContact O-C 3.59Å; D230-D233 PolarHBondContact O-N 3.41Å; D233-Q235 PolarHBondContact O-N 2.91Å; D233-Q235 WeakPolarHBondContact OD1-CB 3.33Å; D233-Q235 PolarHBondContact OD1-N 3.38Å; D233-R236 HydrophobicContact CB-CG 4.02Å; D233-R236 PolarHBondContact O-N 3.12Å; D233-R236 VanDerWaalsContact O-N 3.17Å; D233-R236 WeakPolarHBondContact OD2-CD 3.22Å; D233-R236 IonicContact OD2-NE 3.58Å
234	S	96.1	Very high	97.4	Very high	12 Å²	12	33.6 Å²	33.6	8%	0.084	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	-8.6	-178.3	56.1	0	0	0	0	115	D230 V549 N568 D619 N621	D230-S234 PolarHBondContact O-N 3.13Å; S234-V549 WeakPolarHBondContact O-CB 3.47Å; S234-V549 WeakPolarHBondContact O-CG2 3.42Å; S234-N568 WeakPolarHBondContact CB-O 3.28Å; S234-D619 PolarHBondContact OG-O 3.32Å; S234-N621 WeakPolarHBondContact CB-OD1 3.41Å; S234-N621 PolarHBondContact N-OD1 2.9Å; S234-N621 PolarHBondContact OG-OD1 3.43Å
235	Q	96.3	Very high	97.2	Very high	152 Å²	152	34.9 Å²	34.9	71%	0.71	17%	0.166	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.5	-13.6	180	-58.5	-170.2	-0.2	0	0	113.3	D233 V549	D233-Q235 PolarHBondContact O-N 2.91Å; D233-Q235 WeakPolarHBondContact OD1-CB 3.33Å; D233-Q235 PolarHBondContact OD1-N 3.38Å; Q235-V549 PolarHBondContact O-N 3.39Å; Q235-V549 VanDerWaalsContact O-N 3.09Å
236	R	96.9	Very high	97.1	Very high	73 Å²	73	36.4 Å²	36.4	28%	0.275	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	166.3	-177.1	72.9	178	-169.2	141.8	-3.2	112.4	T229 D230 D233 E361	T229-R236 WeakPolarHBondContact CA-O 3.43Å; D230-R236 HydrophobicContact CB-CG 4.08Å; D230-R236 PolarHBondContact N-O 2.86Å; D230-R236 IonicContact OD2-CZ 3.12Å; D230-R236 VanDerWaalsContact OD2-CZ 3.26Å; D230-R236 IonicContact OD2-NE 2.88Å; D230-R236 PolarHBondContact OD2-NE 3.34Å; D230-R236 VanDerWaalsContact OD2-NE 3.11Å; D230-R236 IonicContact OD2-NH2 3.69Å; D230-R236 PolarHBondContact OD2-NH2 3.33Å; D233-R236 HydrophobicContact CB-CG 4.02Å; D233-R236 PolarHBondContact O-N 3.12Å; D233-R236 VanDerWaalsContact O-N 3.17Å; D233-R236 WeakPolarHBondContact OD2-CD 3.22Å; D233-R236 IonicContact OD2-NE 3.58Å; R236-E361 IonicContact CZ-OE2 2.92Å; R236-E361 VanDerWaalsContact CZ-OE2 3.24Å; R236-E361 IonicContact NH1-OE2 3.35Å; R236-E361 PolarHBondContact NH1-OE2 2.81Å; R236-E361 IonicContact NH2-OE2 2.62Å; R236-E361 PolarHBondContact NH2-OE2 2.62Å
237	H	98.3	Very high	97	Very high	17 Å²	17	35.3 Å²	35.3	8%	0.079	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	152.5	170.4	-57.1	94.5	0	0	0	110.9	V227 W228 K544 E547	V227-H237 HydrophobicContact CG1-CB 3.79Å; W228-H237 CarbonylContact O-C 3.35Å; W228-H237 WeakPolarHBondContact O-CA 3.36Å; W228-H237 WeakPolarHBondContact O-CB 3.3Å; H237-K544 WeakPolarHBondContact CB-O 3.41Å; H237-K544 VanDerWaalsContact CG-O 3.32Å; H237-K544 PolarHBondContact ND1-O 3.02Å; H237-E547 PolarHBondContact ND1-O 2.85Å
238	I	98.4	Very high	96.9	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.015	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	159	176.5	-169.3	158.9	0	0	0	109.9	W228 D230 Y240 K324 E361 V363	W228-I238 PolarHBondContact N-O 3.49Å; W228-I238 VanDerWaalsContact N-O 3.14Å; W228-I238 PolarHBondContact O-N 3.49Å; D230-I238 HydrophobicContact CB-CB 4.13Å; D230-I238 HydrophobicContact CB-CG2 3.63Å; I238-Y240 HydrophobicContact CG2-CD2 3.94Å; I238-Y240 HydrophobicContact CG2-CE2 3.32Å; I238-K324 HydrophobicContact CD1-CD 3.95Å; I238-K324 HydrophobicContact CD1-CG 4.39Å; I238-E361 HydrophobicContact CD1-CB 3.81Å; I238-E361 WeakPolarHBondContact CG1-O 3.34Å; I238-V363 HydrophobicContact CD1-CG2 3.75Å; I238-V363 HydrophobicContact CG1-CG2 4.19Å; I238-V363 HydrophobicContact CG2-CG2 3.9Å
239	I	98.7	Very high	96.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	128.5	174.4	-56.3	170.7	0	0	0	108.7	L225 V227 I241 I345 L349 E360 V362 V363 L545	L225-I239 HydrophobicContact CD1-CG2 4.21Å; L225-I239 HydrophobicContact CD2-CG2 4.27Å; L225-I239 HydrophobicContact CG-CG2 3.95Å; V227-I239 HydrophobicContact CG2-CG1 4.46Å; I239-I241 HydrophobicContact CG2-CD1 4.32Å; I239-I345 HydrophobicContact CD1-CG2 3.86Å; I239-L349 HydrophobicContact CD1-CD1 3.8Å; I239-E360 HydrophobicContact CD1-CG 4.09Å; I239-V362 HydrophobicContact CB-CG1 4.13Å; I239-V362 HydrophobicContact CD1-CG1 4.42Å; I239-V362 HydrophobicContact CG2-CG1 4.37Å; I239-V362 CarbonylContact O-C 3.59Å; I239-V362 WeakPolarHBondContact O-CA 3.37Å; I239-V363 PolarHBondContact O-N 3.12Å; I239-L545 HydrophobicContact CD1-CD2 3.91Å; I239-L545 HydrophobicContact CG1-CD1 3.78Å; I239-L545 HydrophobicContact CG1-CD2 3.85Å; I239-L545 HydrophobicContact CG1-CG 4.47Å
240	Y	98.6	Very high	96.8	Very high	1 Å²	1	32 Å²	32	0%	0.004	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	143.2	170.7	-76.3	-98.5	0	0	0	110.7	L225 Y226 W228 T229 D231 I238 V363 Y365	L225-Y240 WeakPolarHBondContact CA-O 3.33Å; Y226-Y240 HydrophobicContact CD2-CD2 4.48Å; Y226-Y240 HydrophobicContact CD2-CG 4.44Å; Y226-Y240 HydrophobicContact CE1-CG 4.44Å; Y226-Y240 HydrophobicContact CE2-CD1 4.41Å; Y226-Y240 AromaticContact CE2-CD2 3.96Å; Y226-Y240 HydrophobicContact CE2-CD2 3.96Å; Y226-Y240 AromaticContact CE2-CG 3.72Å; Y226-Y240 HydrophobicContact CE2-CG 3.72Å; Y226-Y240 AromaticContact CZ-CG 3.72Å; Y226-Y240 PolarHBondContact N-O 3.39Å; Y226-Y240 PolarHBondContact O-N 3.05Å; W228-Y240 HydrophobicContact CB-CD2 3.77Å; W228-Y240 HydrophobicContact CB-CE2 3.77Å; T229-Y240 PolarHBondContact O-OH 2.91Å; D231-Y240 PolarHBondContact N-OH 3.02Å; D231-Y240 VanDerWaalsContact N-OH 3.08Å; D231-Y240 PolarHBondContact OD2-OH 2.83Å; I238-Y240 HydrophobicContact CG2-CD2 3.94Å; I238-Y240 HydrophobicContact CG2-CE2 3.32Å; Y240-V363 CarbonylContact C-O 3.57Å; Y240-V363 VanDerWaalsContact CA-O 3.32Å; Y240-V363 WeakPolarHBondContact CA-O 3.44Å; Y240-V363 HydrophobicContact CD1-CB 3.78Å; Y240-V363 HydrophobicContact CD1-CG1 3.78Å; Y240-V363 HydrophobicContact CE1-CB 3.75Å; Y240-V363 HydrophobicContact CE1-CG1 3.54Å; Y240-V363 HydrophobicContact CE1-CG2 4.29Å; Y240-V363 HydrophobicContact CG-CB 4.32Å; Y240-Y365 HydrophobicContact CD1-CD1 4.14Å; Y240-Y365 HydrophobicContact CD1-CD2 4.27Å; Y240-Y365 AromaticContact CD1-CE1 3.91Å; Y240-Y365 HydrophobicContact CD1-CE1 3.91Å; Y240-Y365 HydrophobicContact CD1-CE2 4.05Å; Y240-Y365 HydrophobicContact CD1-CG 4.34Å; Y240-Y365 AromaticContact CD1-CZ 3.88Å; Y240-Y365 HydrophobicContact CE1-CD1 4.19Å; Y240-Y365 AromaticContact CE1-CE1 3.51Å; Y240-Y365 HydrophobicContact CE1-CE1 3.51Å; Y240-Y365 HydrophobicContact CE1-CE2 4.01Å; Y240-Y365 AromaticContact CE1-CZ 3.42Å; Y240-Y365 VanDerWaalsContact CE1-CZ 3.42Å
241	I	98.3	Very high	96.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	118.5	171.8	-55.4	-68.4	0	0	0	108.7	D224 L225 I239 W341 V363 V364 Y365 S366 L370	D224-I241 CarbonylContact O-C 3.58Å; D224-I241 WeakPolarHBondContact O-CA 3.47Å; L225-I241 HydrophobicContact CB-CD1 3.94Å; L225-I241 HydrophobicContact CD1-CD1 3.73Å; L225-I241 HydrophobicContact CG-CD1 3.81Å; I239-I241 HydrophobicContact CG2-CD1 4.32Å; I241-W341 HydrophobicContact CD1-CZ3 4.12Å; I241-W341 HydrophobicContact CG1-CZ3 4.46Å; I241-W341 HydrophobicContact CG2-CH2 3.89Å; I241-W341 HydrophobicContact CG2-CZ3 3.9Å; I241-V363 PolarHBondContact N-O 3.09Å; I241-V364 HydrophobicContact CB-CG2 4.45Å; I241-Y365 PolarHBondContact O-N 3.3Å; I241-S366 PolarHBondContact O-OG 2.7Å; I241-L370 HydrophobicContact CG2-CD1 4.22Å
242	D	98.2	Very high	96.5	Very high	13 Å²	13	36.8 Å²	36.8	7%	0.07	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	170.7	-177.2	-153.1	-2.9	0	0	0	112.6	D224 Y226 R315 S366	D224-D242 HydrophobicContact CB-CB 4.22Å; D224-D242 PolarHBondContact N-O 3.3Å; D224-D242 PolarHBondContact O-N 2.84Å; Y226-D242 HydrophobicContact CE1-CB 4.22Å; D242-R315 VanDerWaalsContact CG-NH2 3.32Å; D242-R315 IonicContact OD1-CZ 2.96Å; D242-R315 IonicContact OD1-NH1 3.21Å; D242-R315 PolarHBondContact OD1-NH1 3.28Å; D242-R315 IonicContact OD1-NH2 3.16Å; D242-R315 PolarHBondContact OD1-NH2 2.99Å; D242-R315 VanDerWaalsContact OD1-NH2 3.16Å; D242-R315 IonicContact OD2-CZ 2.7Å; D242-R315 IonicContact OD2-NH1 3.24Å; D242-R315 IonicContact OD2-NH2 3.98Å; D242-R315 PolarHBondContact OD2-NH2 3.32Å; D242-S366 VanDerWaalsContact CA-OG 3.3Å; D242-S366 WeakPolarHBondContact CA-OG 3.46Å; D242-S366 WeakPolarHBondContact OD1-CB 3.48Å
243	Q	97.3	Very high	96.4	Very high	29 Å²	29	30.1 Å²	30.1	14%	0.136	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-66.4	140.9	171	67	-172.6	48.2	0	0	109.6	T309 S310 S366 Y369	Q243-T309 HydrophobicContact CB-CG2 4.32Å; Q243-S310 PolarHBondContact NE2-O 3.36Å; Q243-S310 VanDerWaalsContact NE2-O 3.11Å; Q243-S366 VanDerWaalsContact N-CB 3.27Å; Q243-S366 PolarHBondContact N-OG 2.9Å; Q243-Y369 HydrophobicContact CB-CD1 3.84Å; Q243-Y369 HydrophobicContact CB-CD2 4.18Å; Q243-Y369 HydrophobicContact CB-CE1 4.2Å; Q243-Y369 HydrophobicContact CB-CG 3.83Å
244	P	95.5	Very high	96.4	Very high	7 Å²	7	27.6 Å²	27.6	5%	0.045	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-75.2	166.6	-176.5	35.3	-38.7	0	0	0	111.5	V222 I305 Y369	V222-P244 WeakPolarHBondContact O-CD 3.28Å; P244-I305 HydrophobicContact CG-CG2 4.4Å; P244-Y369 VanDerWaalsContact CD-OH 3.31Å; P244-Y369 WeakPolarHBondContact CD-OH 3.25Å
245	G	92.9	Very high	96.4	Very high	50 Å²	50	30.8 Å²	30.8	52%	0.515	16%	0.163	S	C	.	.	P	Polyproline II helix	trans	-62.7	162.3	158.6	0	0	0	0	0	111.7
246	L	95.8	Very high	96	Very high	36 Å²	36	26.5 Å²	26.5	19%	0.188	15%	0.145	C	C	.	.			trans	-113.7	160.7	176.2	-59.3	171.8	0	0	0	109.6	M248 R251 Y254 E302 I305 A306	L246-M248 VanDerWaalsContact C-N 3.32Å; L246-R251 HydrophobicContact CD1-CB 4.24Å; L246-Y254 HydrophobicContact CB-CE2 4.06Å; L246-Y254 HydrophobicContact CD1-CD2 4.27Å; L246-Y254 HydrophobicContact CD1-CE2 3.75Å; L246-Y254 HydrophobicContact CG-CE2 4.42Å; L246-E302 HydrophobicContact CD2-CG 4.37Å; L246-I305 HydrophobicContact CD2-CG2 4.08Å; L246-A306 HydrophobicContact CD1-CB 3.67Å; L246-A306 HydrophobicContact CD2-CB 4.15Å
247	G	94.5	Very high	95.6	Very high	17 Å²	17	28.5 Å²	28.5	18%	0.175	16%	0.161	C	C	.	.	S	Bend	trans	-70.9	-25.4	177.6	0	0	0	0	0	114.5	Y254 Y267 E302 Y412	G247-Y254 PolarHBondContact N-OH 3.41Å; G247-Y267 VanDerWaalsContact CA-OH 3.3Å; G247-Y267 WeakPolarHBondContact CA-OH 3.36Å; G247-E302 WeakPolarHBondContact CA-OE1 3.47Å; G247-E302 PolarHBondContact N-OE1 3.5Å; G247-Y412 PolarHBondContact O-OH 3.01Å
248	M	96.6	Very high	95	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.01	18%	0.184	C	C	.	.	S	Bend	trans	-101.1	155.6	165.6	-70.9	-178	-68.9	0	0	111	L246 S250 Y253 Y254 V263 R264 Y267 L299 Y412	L246-M248 VanDerWaalsContact C-N 3.32Å; M248-S250 VanDerWaalsContact C-N 3.3Å; M248-S250 PolarHBondContact O-N 2.98Å; M248-S250 VanDerWaalsContact O-N 3.12Å; M248-Y253 HydrophobicContact CB-CG 4.19Å; M248-Y253 HydrophobicContact SD-CD1 4.45Å; M248-Y254 HydrophobicContact CB-CE2 3.84Å; M248-Y254 HydrophobicContact CE-CD1 3.4Å; M248-Y254 HydrophobicContact CE-CD2 3.86Å; M248-Y254 HydrophobicContact CE-CE1 3.12Å; M248-Y254 HydrophobicContact CE-CE2 3.59Å; M248-Y254 HydrophobicContact CE-CG 3.76Å; M248-Y254 PolarHBondContact N-OH 3.22Å; M248-Y254 VanDerWaalsContact N-OH 3.08Å; M248-V263 HydrophobicContact CG-CG1 4.44Å; M248-V263 HydrophobicContact SD-CG1 4.02Å; M248-R264 HydrophobicContact CE-CG 3.92Å; M248-R264 HydrophobicContact SD-CB 4.45Å; M248-R264 HydrophobicContact SD-CG 3.95Å; M248-Y267 HydrophobicContact CE-CD1 4.26Å; M248-Y267 HydrophobicContact CG-CD1 3.9Å; M248-Y267 HydrophobicContact CG-CD2 4.5Å; M248-Y267 HydrophobicContact CG-CE1 4.29Å; M248-Y267 HydrophobicContact CG-CG 4.02Å; M248-Y267 HydrophobicContact SD-CD1 4.15Å; M248-Y267 HydrophobicContact SD-CG 4.35Å; M248-L299 HydrophobicContact CE-CD1 4.35Å; M248-Y412 HydrophobicContact CG-CE2 4.35Å; M248-Y412 WeakPolarHBondContact CG-OH 3.46Å
249	P	95	Very high	94.4	Very high	41 Å²	41	32.1 Å²	32.1	27%	0.266	19%	0.194	S	C	.	.	S	Bend	trans	-63.9	-25.1	-164.4	-24.6	34.1	0	0	0	116.7	Y253 L416 Q724 T728	P249-Y253 HydrophobicContact CB-CE2 4.07Å; P249-Y253 HydrophobicContact CG-CE2 4.16Å; P249-L416 HydrophobicContact CG-CD1 4.29Å; P249-L416 HydrophobicContact CG-CD2 3.62Å; P249-Q724 HydrophobicContact CB-CG 3.88Å; P249-Q724 HydrophobicContact CG-CG 3.83Å; P249-T728 HydrophobicContact CB-CG2 3.79Å; P249-T728 VanDerWaalsContact O-CG2 3.25Å; P249-T728 WeakPolarHBondContact O-CG2 3.44Å
250	S	95.2	Very high	94.2	Very high	15 Å²	15	32.8 Å²	32.8	11%	0.105	20%	0.197	C	C	.	.	S	Bend	trans	-149.7	164.4	175.2	86	0	0	0	0	111.1	M248 D252 Y253	M248-S250 VanDerWaalsContact C-N 3.3Å; M248-S250 PolarHBondContact O-N 2.98Å; M248-S250 VanDerWaalsContact O-N 3.12Å; S250-D252 PolarHBondContact O-N 3.2Å; S250-D252 WeakPolarHBondContact OG-CB 3.48Å; S250-D252 PolarHBondContact OG-N 3.26Å; S250-D252 PolarHBondContact OG-OD2 3.45Å; S250-Y253 WeakPolarHBondContact O-CB 3.37Å; S250-Y253 PolarHBondContact O-N 2.58Å
251	R	95.8	Very high	94	Very high	62 Å²	62	37.4 Å²	37.4	23%	0.234	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-30.3	175.5	70.2	-175	-61.9	-114.6	2.3	113	L246 Y253 Y254 F255 A306	L246-R251 HydrophobicContact CD1-CB 4.24Å; R251-Y253 PolarHBondContact O-N 2.63Å; R251-Y253 VanDerWaalsContact O-N 3.17Å; R251-Y254 WeakPolarHBondContact O-CB 3.46Å; R251-Y254 PolarHBondContact O-N 3.48Å; R251-F255 HydrophobicContact CB-CE2 4.3Å; R251-F255 WeakPolarHBondContact O-CD2 3.45Å; R251-F255 WeakPolarHBondContact O-CE2 3.17Å; R251-A306 HydrophobicContact CB-CB 4.44Å; R251-A306 PolarHBondContact NE-O 3.42Å
252	D	93.5	Very high	93.8	Very high	44 Å²	44	43.7 Å²	43.7	24%	0.235	24%	0.244	C	C	.	.	H	α-helix	trans	-56.8	-33	179.1	-61.5	-94.1	0	0	0	113.1	S250 Y254 F255 N256 K727	S250-D252 PolarHBondContact O-N 3.2Å; S250-D252 WeakPolarHBondContact OG-CB 3.48Å; S250-D252 PolarHBondContact OG-N 3.26Å; S250-D252 PolarHBondContact OG-OD2 3.45Å; D252-Y254 PolarHBondContact O-N 3.01Å; D252-F255 PolarHBondContact O-N 3.48Å; D252-N256 WeakPolarHBondContact O-CB 3.4Å; D252-N256 PolarHBondContact O-N 2.94Å; D252-N256 PolarHBondContact OD1-ND2 3.49Å; D252-K727 HydrophobicContact CB-CG 4.44Å; D252-K727 IonicContact OD1-NZ 2.75Å
253	Y	96.3	Very high	93.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-59.2	-28.9	178.5	-80.2	-92.7	0	0	0	112.5	M248 P249 S250 R251 Y260 V263 R264 L416 Q724	M248-Y253 HydrophobicContact CB-CG 4.19Å; M248-Y253 HydrophobicContact SD-CD1 4.45Å; P249-Y253 HydrophobicContact CB-CE2 4.07Å; P249-Y253 HydrophobicContact CG-CE2 4.16Å; S250-Y253 WeakPolarHBondContact O-CB 3.37Å; S250-Y253 PolarHBondContact O-N 2.58Å; R251-Y253 PolarHBondContact O-N 2.63Å; R251-Y253 VanDerWaalsContact O-N 3.17Å; Y253-Y260 AromaticContact CD1-CD1 3.64Å; Y253-Y260 HydrophobicContact CD1-CD1 3.64Å; Y253-Y260 HydrophobicContact CD1-CE1 4.43Å; Y253-Y260 HydrophobicContact CD2-CD1 4.02Å; Y253-Y260 HydrophobicContact CD2-CE1 4.2Å; Y253-Y260 AromaticContact CE1-CD1 3.68Å; Y253-Y260 HydrophobicContact CE1-CD1 3.68Å; Y253-Y260 HydrophobicContact CE1-CE1 4.16Å; Y253-Y260 HydrophobicContact CE2-CD1 4.08Å; Y253-Y260 AromaticContact CE2-CE1 3.94Å; Y253-Y260 HydrophobicContact CE2-CE1 3.94Å; Y253-Y260 AromaticContact CG-CD1 3.81Å; Y253-Y260 HydrophobicContact CG-CD1 3.81Å; Y253-Y260 HydrophobicContact CG-CE1 4.45Å; Y253-Y260 AromaticContact CZ-CD1 3.92Å; Y253-Y260 AromaticContact CZ-CE1 3.92Å; Y253-V263 HydrophobicContact CD1-CB 3.81Å; Y253-V263 HydrophobicContact CD1-CG1 3.53Å; Y253-V263 HydrophobicContact CD1-CG2 4.39Å; Y253-V263 HydrophobicContact CE1-CB 3.86Å; Y253-V263 HydrophobicContact CE1-CG1 3.67Å; Y253-V263 HydrophobicContact CE1-CG2 3.92Å; Y253-R264 WeakPolarHBondContact O-CD 3.29Å; Y253-R264 WeakPolarHBondContact O-CG 3.38Å; Y253-L416 HydrophobicContact CE1-CD2 3.82Å; Y253-Q724 WeakPolarHBondContact OH-CA 3.39Å; Y253-Q724 WeakPolarHBondContact OH-CB 3.48Å; Y253-Q724 WeakPolarHBondContact OH-CG 3.42Å
254	Y	97.3	Very high	93.8	Very high	6 Å²	6	43.9 Å²	43.9	2%	0.024	24%	0.243	C	C	.	.	H	α-helix	trans	-81.6	-21	-177.1	-64.3	-93.4	0	0	0	113	L246 G247 M248 R251 D252 R264 L299 E302 A306	L246-Y254 HydrophobicContact CB-CE2 4.06Å; L246-Y254 HydrophobicContact CD1-CD2 4.27Å; L246-Y254 HydrophobicContact CD1-CE2 3.75Å; L246-Y254 HydrophobicContact CG-CE2 4.42Å; G247-Y254 PolarHBondContact N-OH 3.41Å; M248-Y254 HydrophobicContact CB-CE2 3.84Å; M248-Y254 HydrophobicContact CE-CD1 3.4Å; M248-Y254 HydrophobicContact CE-CD2 3.86Å; M248-Y254 HydrophobicContact CE-CE1 3.12Å; M248-Y254 HydrophobicContact CE-CE2 3.59Å; M248-Y254 HydrophobicContact CE-CG 3.76Å; M248-Y254 PolarHBondContact N-OH 3.22Å; M248-Y254 VanDerWaalsContact N-OH 3.08Å; R251-Y254 WeakPolarHBondContact O-CB 3.46Å; R251-Y254 PolarHBondContact O-N 3.48Å; D252-Y254 PolarHBondContact O-N 3.01Å; Y254-R264 PolarHBondContact O-NH1 2.72Å; Y254-L299 HydrophobicContact CE1-CD1 4.32Å; Y254-E302 HydrophobicContact CE1-CB 4.1Å; Y254-E302 HydrophobicContact CE1-CG 3.73Å; Y254-E302 WeakPolarHBondContact CE1-OE2 3.47Å; Y254-E302 PolarHBondContact OH-OE1 3.31Å; Y254-E302 PolarHBondContact OH-OE2 3.39Å; Y254-A306 HydrophobicContact CD1-CB 4.23Å; Y254-A306 HydrophobicContact CD2-CB 3.61Å; Y254-A306 HydrophobicContact CE2-CB 4.06Å; Y254-A306 HydrophobicContact CG-CB 3.72Å
255	F	94.4	Very high	93.9	Very high	78 Å²	78	47.4 Å²	47.4	34%	0.342	26%	0.259	S	S	.	.	H	α-helix	trans	-116	-31.6	-171.4	-52.5	-61.2	0	0	0	113.8	R251 D252 T303 A306 N307	R251-F255 HydrophobicContact CB-CE2 4.3Å; R251-F255 WeakPolarHBondContact O-CD2 3.45Å; R251-F255 WeakPolarHBondContact O-CE2 3.17Å; D252-F255 PolarHBondContact O-N 3.48Å; F255-T303 HydrophobicContact CE1-CG2 3.87Å; F255-T303 HydrophobicContact CZ-CG2 4.5Å; F255-A306 HydrophobicContact CE2-CB 4.28Å; F255-A306 HydrophobicContact CZ-CB 4.12Å; F255-N307 HydrophobicContact CE1-CB 4.03Å; F255-N307 HydrophobicContact CZ-CB 3.62Å
256	N	89.8	Confident	94.1	Very high	62 Å²	62	45.1 Å²	45.1	33%	0.332	23%	0.234	S	C	.	.			trans	-88.4	158.4	-171.3	-64.4	-19.6	0	0	0	113.3	D252 Y260 R264	D252-N256 WeakPolarHBondContact O-CB 3.4Å; D252-N256 PolarHBondContact O-N 2.94Å; D252-N256 PolarHBondContact OD1-ND2 3.49Å; N256-Y260 HydrophobicContact CB-CD2 3.49Å; N256-Y260 VanDerWaalsContact CB-CD2 3.49Å; N256-Y260 HydrophobicContact CB-CE2 4.14Å; N256-Y260 HydrophobicContact CB-CG 3.93Å; N256-Y260 WeakPolarHBondContact O-CB 3.46Å; N256-R264 VanDerWaalsContact O-CZ 3.3Å; N256-R264 PolarHBondContact O-NH1 3.37Å; N256-R264 PolarHBondContact O-NH2 2.94Å
257	D	88.2	Confident	94.2	Very high	115 Å²	115	43.4 Å²	43.4	62%	0.615	23%	0.226	S	C	*	.			trans	-96.2	-164.2	179	-82.9	-32.1	0	0	0	112.8	N259 Y260 R264	D257-N259 PolarHBondContact O-N 2.93Å; D257-Y260 VanDerWaalsContact O-CD2 3.31Å; D257-Y260 WeakPolarHBondContact O-CD2 3.41Å; D257-Y260 PolarHBondContact O-N 3.14Å; D257-R264 IonicContact OD1-NH2 3.8Å; D257-R264 PolarHBondContact OD1-NH2 3.22Å
258	G	85.6	Confident	94.4	Very high	53 Å²	53	43.4 Å²	43.4	55%	0.546	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.1	-126.3	179.8	0	0	0	0	0	112.2	Y260 K261	G258-Y260 VanDerWaalsContact C-N 3.3Å; G258-Y260 PolarHBondContact O-N 3.16Å; G258-K261 PolarHBondContact O-N 3.42Å
259	N	86.1	Confident	94.5	Very high	44 Å²	44	46.4 Å²	46.4	24%	0.235	24%	0.235	C	C	.	.	H	α-helix	trans	-65.2	-34.8	180	-165.2	48	0	0	0	112.3	D257 K261 K262 V263	D257-N259 PolarHBondContact O-N 2.93Å; N259-K261 VanDerWaalsContact C-N 3.29Å; N259-K261 PolarHBondContact O-N 2.81Å; N259-K262 WeakPolarHBondContact O-CB 3.11Å; N259-K262 PolarHBondContact O-N 3.35Å; N259-K262 VanDerWaalsContact O-N 3.11Å; N259-V263 PolarHBondContact O-N 3.02Å; N259-V263 VanDerWaalsContact O-N 3.16Å
260	Y	92.9	Very high	94.7	Very high	14 Å²	14	44.5 Å²	44.5	6%	0.055	22%	0.223	C	C	.	.	H	α-helix	trans	-57.5	-42	178.1	-60.1	-68.8	0	0	0	111.8	Y253 N256 D257 G258 K262 V263 R264 Q656 S723 K727	Y253-Y260 AromaticContact CD1-CD1 3.64Å; Y253-Y260 HydrophobicContact CD1-CD1 3.64Å; Y253-Y260 HydrophobicContact CD1-CE1 4.43Å; Y253-Y260 HydrophobicContact CD2-CD1 4.02Å; Y253-Y260 HydrophobicContact CD2-CE1 4.2Å; Y253-Y260 AromaticContact CE1-CD1 3.68Å; Y253-Y260 HydrophobicContact CE1-CD1 3.68Å; Y253-Y260 HydrophobicContact CE1-CE1 4.16Å; Y253-Y260 HydrophobicContact CE2-CD1 4.08Å; Y253-Y260 AromaticContact CE2-CE1 3.94Å; Y253-Y260 HydrophobicContact CE2-CE1 3.94Å; Y253-Y260 AromaticContact CG-CD1 3.81Å; Y253-Y260 HydrophobicContact CG-CD1 3.81Å; Y253-Y260 HydrophobicContact CG-CE1 4.45Å; Y253-Y260 AromaticContact CZ-CD1 3.92Å; Y253-Y260 AromaticContact CZ-CE1 3.92Å; N256-Y260 HydrophobicContact CB-CD2 3.49Å; N256-Y260 VanDerWaalsContact CB-CD2 3.49Å; N256-Y260 HydrophobicContact CB-CE2 4.14Å; N256-Y260 HydrophobicContact CB-CG 3.93Å; N256-Y260 WeakPolarHBondContact O-CB 3.46Å; D257-Y260 VanDerWaalsContact O-CD2 3.31Å; D257-Y260 WeakPolarHBondContact O-CD2 3.41Å; D257-Y260 PolarHBondContact O-N 3.14Å; G258-Y260 VanDerWaalsContact C-N 3.3Å; G258-Y260 PolarHBondContact O-N 3.16Å; Y260-K262 PolarHBondContact O-N 3.21Å; Y260-V263 PolarHBondContact O-N 3.41Å; Y260-R264 WeakPolarHBondContact O-CG 3.33Å; Y260-R264 PolarHBondContact O-N 3.13Å; Y260-Q656 PolarHBondContact OH-NE2 3.37Å; Y260-Q656 VanDerWaalsContact OH-NE2 3.12Å; Y260-Q656 PolarHBondContact OH-OE1 3.42Å; Y260-S723 PolarHBondContact OH-O 3.18Å; Y260-K727 HydrophobicContact CE1-CG 4.45Å; Y260-K727 WeakPolarHBondContact OH-CE 3.29Å
261	K	94.5	Very high	94.8	Very high	97 Å²	97	43.8 Å²	43.8	42%	0.422	22%	0.218	S	C	.	.	H	α-helix	trans	-60.5	-43.3	175.5	-175.7	176	176.7	176.7	0	112.9	G258 N259 V263 R264 E265	G258-K261 PolarHBondContact O-N 3.42Å; N259-K261 VanDerWaalsContact C-N 3.29Å; N259-K261 PolarHBondContact O-N 2.81Å; K261-V263 PolarHBondContact O-N 2.98Å; K261-R264 PolarHBondContact O-N 3.04Å; K261-E265 WeakPolarHBondContact CE-OE1 3.38Å; K261-E265 WeakPolarHBondContact O-CG 3.49Å; K261-E265 PolarHBondContact O-N 3.35Å
262	K	94.8	Very high	95	Very high	133 Å²	133	41.1 Å²	41.1	58%	0.578	21%	0.209	S	C	*	.	H	α-helix	trans	-61.5	-36.9	177.7	-64	179.6	-178.3	174.7	0	111.6	N259 Y260 A266	N259-K262 WeakPolarHBondContact O-CB 3.11Å; N259-K262 PolarHBondContact O-N 3.35Å; N259-K262 VanDerWaalsContact O-N 3.11Å; Y260-K262 PolarHBondContact O-N 3.21Å; K262-A266 WeakPolarHBondContact O-CB 3.44Å; K262-A266 PolarHBondContact O-N 3.01Å
263	V	97.1	Very high	95.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-69.3	-45.8	176.4	172.6	0	0	0	0	111	M248 Y253 N259 Y260 K261 E265 A266 Y267 Y412 A415 L416	M248-V263 HydrophobicContact CG-CG1 4.44Å; M248-V263 HydrophobicContact SD-CG1 4.02Å; Y253-V263 HydrophobicContact CD1-CB 3.81Å; Y253-V263 HydrophobicContact CD1-CG1 3.53Å; Y253-V263 HydrophobicContact CD1-CG2 4.39Å; Y253-V263 HydrophobicContact CE1-CB 3.86Å; Y253-V263 HydrophobicContact CE1-CG1 3.67Å; Y253-V263 HydrophobicContact CE1-CG2 3.92Å; N259-V263 PolarHBondContact O-N 3.02Å; N259-V263 VanDerWaalsContact O-N 3.16Å; Y260-V263 PolarHBondContact O-N 3.41Å; K261-V263 PolarHBondContact O-N 2.98Å; V263-E265 VanDerWaalsContact C-N 3.31Å; V263-E265 PolarHBondContact O-N 3.3Å; V263-A266 PolarHBondContact O-N 2.65Å; V263-Y267 WeakPolarHBondContact O-CB 3.17Å; V263-Y267 PolarHBondContact O-N 3.25Å; V263-Y412 HydrophobicContact CG1-CD2 4.39Å; V263-Y412 HydrophobicContact CG1-CE2 3.8Å; V263-A415 HydrophobicContact CG2-CB 3.85Å; V263-A415 VanDerWaalsContact CG2-O 3.31Å; V263-A415 WeakPolarHBondContact CG2-O 3.17Å; V263-L416 HydrophobicContact CB-CD2 4.43Å; V263-L416 HydrophobicContact CG1-CD2 3.44Å; V263-L416 VanDerWaalsContact CG1-CD2 3.44Å; V263-L416 HydrophobicContact CG1-CG 3.9Å; V263-L416 HydrophobicContact CG2-CD2 4.13Å
264	R	97.6	Very high	95.3	Very high	45 Å²	45	41.1 Å²	41.1	17%	0.17	21%	0.212	C	C	.	.	H	α-helix	trans	-54.3	-46.9	173.7	-69.1	-169.1	-69.1	-142.2	-5.9	112.1	M248 Y253 Y254 N256 D257 Y260 K261 Y267 L268	M248-R264 HydrophobicContact CE-CG 3.92Å; M248-R264 HydrophobicContact SD-CB 4.45Å; M248-R264 HydrophobicContact SD-CG 3.95Å; Y253-R264 WeakPolarHBondContact O-CD 3.29Å; Y253-R264 WeakPolarHBondContact O-CG 3.38Å; Y254-R264 PolarHBondContact O-NH1 2.72Å; N256-R264 VanDerWaalsContact O-CZ 3.3Å; N256-R264 PolarHBondContact O-NH1 3.37Å; N256-R264 PolarHBondContact O-NH2 2.94Å; D257-R264 IonicContact OD1-NH2 3.8Å; D257-R264 PolarHBondContact OD1-NH2 3.22Å; Y260-R264 WeakPolarHBondContact O-CG 3.33Å; Y260-R264 PolarHBondContact O-N 3.13Å; K261-R264 PolarHBondContact O-N 3.04Å; R264-Y267 PolarHBondContact O-N 3.37Å; R264-L268 PolarHBondContact O-N 2.93Å
265	E	97.6	Very high	95.4	Very high	82 Å²	82	40.8 Å²	40.8	38%	0.383	21%	0.211	S	C	.	.	H	α-helix	trans	-62.9	-45.1	178.1	-71.5	170.6	-175.8	0	0	111.4	K261 V263 Y267 L268 H269	K261-E265 WeakPolarHBondContact CE-OE1 3.38Å; K261-E265 WeakPolarHBondContact O-CG 3.49Å; K261-E265 PolarHBondContact O-N 3.35Å; V263-E265 VanDerWaalsContact C-N 3.31Å; V263-E265 PolarHBondContact O-N 3.3Å; E265-Y267 VanDerWaalsContact C-N 3.28Å; E265-Y267 PolarHBondContact O-N 3.37Å; E265-L268 PolarHBondContact O-N 3.44Å; E265-H269 PolarHBondContact O-CD2 2.92Å; E265-H269 PolarHBondContact O-N 3.2Å
266	A	98.1	Very high	95.5	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.008	21%	0.208	C	C	.	.	H	α-helix	trans	-64.1	-34	177.3	0	0	0	0	0	112.5	K262 V263 F270 R411 Y412 A415	K262-A266 WeakPolarHBondContact O-CB 3.44Å; K262-A266 PolarHBondContact O-N 3.01Å; V263-A266 PolarHBondContact O-N 2.65Å; A266-F270 WeakPolarHBondContact O-CB 3.37Å; A266-F270 PolarHBondContact O-N 2.78Å; A266-R411 HydrophobicContact CB-CG 4.22Å; A266-Y412 HydrophobicContact CB-CD2 4.31Å; A266-A415 HydrophobicContact CB-CB 4Å
267	Y	98.4	Very high	95.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-68.3	-45	176.8	-170.9	-126.2	0	0	0	112.2	G247 M248 V263 R264 E265 H269 F270 M271 L299 E302 W391 Q392 Y412	G247-Y267 VanDerWaalsContact CA-OH 3.3Å; G247-Y267 WeakPolarHBondContact CA-OH 3.36Å; M248-Y267 HydrophobicContact CE-CD1 4.26Å; M248-Y267 HydrophobicContact CG-CD1 3.9Å; M248-Y267 HydrophobicContact CG-CD2 4.5Å; M248-Y267 HydrophobicContact CG-CE1 4.29Å; M248-Y267 HydrophobicContact CG-CG 4.02Å; M248-Y267 HydrophobicContact SD-CD1 4.15Å; M248-Y267 HydrophobicContact SD-CG 4.35Å; V263-Y267 WeakPolarHBondContact O-CB 3.17Å; V263-Y267 PolarHBondContact O-N 3.25Å; R264-Y267 PolarHBondContact O-N 3.37Å; E265-Y267 VanDerWaalsContact C-N 3.28Å; E265-Y267 PolarHBondContact O-N 3.37Å; Y267-H269 PolarHBondContact O-N 2.9Å; Y267-F270 HydrophobicContact CD2-CD1 4.42Å; Y267-F270 WeakPolarHBondContact O-CB 3.27Å; Y267-F270 PolarHBondContact O-N 2.97Å; Y267-F270 VanDerWaalsContact O-N 3.14Å; Y267-M271 HydrophobicContact CD1-CE 3.58Å; Y267-M271 HydrophobicContact CE1-CE 3.06Å; Y267-M271 HydrophobicContact CE1-SD 4.5Å; Y267-M271 HydrophobicContact CE2-CE 4.38Å; Y267-M271 HydrophobicContact CG-CE 4.41Å; Y267-M271 WeakPolarHBondContact O-CG 3.47Å; Y267-M271 PolarHBondContact O-N 3.47Å; Y267-L299 HydrophobicContact CD1-CD1 4.14Å; Y267-E302 VanDerWaalsContact CE1-OE2 3.26Å; Y267-E302 WeakPolarHBondContact CE1-OE2 3.33Å; Y267-W391 HydrophobicContact CD2-CZ2 4.41Å; Y267-W391 AromaticContact CE2-CZ2 3.75Å; Y267-W391 HydrophobicContact CE2-CZ2 3.75Å; Y267-W391 AromaticContact CE2-NE1 3.93Å; Y267-W391 AromaticContact CZ-NE1 3.41Å; Y267-W391 PolarHBondContact OH-NE1 2.78Å; Y267-Q392 PolarHBondContact OH-NE2 2.88Å; Y267-Y412 HydrophobicContact CD2-CD1 4.22Å; Y267-Y412 HydrophobicContact CD2-CD2 4.1Å; Y267-Y412 AromaticContact CD2-CE1 3.72Å; Y267-Y412 HydrophobicContact CD2-CE1 3.72Å; Y267-Y412 AromaticContact CD2-CE2 3.6Å; Y267-Y412 HydrophobicContact CD2-CE2 3.6Å; Y267-Y412 HydrophobicContact CD2-CG 4.39Å; Y267-Y412 AromaticContact CD2-CZ 3.36Å; Y267-Y412 HydrophobicContact CE2-CE1 4.12Å; Y267-Y412 AromaticContact CE2-CZ 3.97Å; Y267-Y412 HydrophobicContact CG-CD2 4.44Å; Y267-Y412 AromaticContact CG-CE2 3.92Å; Y267-Y412 HydrophobicContact CG-CE2 3.92Å
268	L	98.6	Very high	96.3	Very high	18 Å²	18	33 Å²	33	9%	0.094	17%	0.169	C	C	.	.	H	α-helix	trans	-60.8	-44.5	173.1	-179.7	57.9	0	0	0	111.8	R264 E265 F270 M271 V272 W292 M295 L299	R264-L268 PolarHBondContact O-N 2.93Å; E265-L268 PolarHBondContact O-N 3.44Å; L268-F270 PolarHBondContact O-N 3.31Å; L268-M271 HydrophobicContact CD1-SD 4.25Å; L268-M271 WeakPolarHBondContact O-CB 3.43Å; L268-M271 PolarHBondContact O-N 3.38Å; L268-V272 HydrophobicContact CD1-CG2 4.32Å; L268-V272 WeakPolarHBondContact O-CG2 3.34Å; L268-V272 PolarHBondContact O-N 3.33Å; L268-W292 HydrophobicContact CD2-CH2 4.14Å; L268-W292 HydrophobicContact CD2-CZ2 3.79Å; L268-W292 HydrophobicContact CG-CH2 4.49Å; L268-M295 HydrophobicContact CD1-CB 3.89Å; L268-L299 HydrophobicContact CB-CD2 4.15Å; L268-L299 HydrophobicContact CD2-CD2 4.41Å
269	H	98.4	Very high	96.9	Very high	64 Å²	64	30.9 Å²	30.9	30%	0.296	14%	0.144	S	C	.	.	H	α-helix	trans	-61	-35.6	175.7	-81	-64.5	0	0	0	112.5	E265 Y267 S273 W292 R411	E265-H269 PolarHBondContact O-CD2 2.92Å; E265-H269 PolarHBondContact O-N 3.2Å; Y267-H269 PolarHBondContact O-N 2.9Å; H269-S273 WeakPolarHBondContact O-CB 3.45Å; H269-S273 PolarHBondContact O-N 3.45Å; H269-S273 PolarHBondContact O-OG 2.89Å; H269-W292 AromaticContact CE1-CH2 3.61Å; H269-W292 AromaticContact CE1-CZ3 3.63Å; H269-W292 AromaticContact ND1-CH2 3.99Å; H269-W292 AromaticContact ND1-CZ3 3.66Å; H269-R411 PolarHBondContact CD2-NH1 3.38Å; H269-R411 PolarHBondContact NE2-NH1 3.12Å
270	F	98.4	Very high	97.4	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.009	16%	0.157	C	C	.	.	H	α-helix	trans	-66.1	-47.7	176.4	175.9	-142	0	0	0	111.3	A266 Y267 L268 V272 S273 I274 W391 V398 A408 R409 Y412	A266-F270 WeakPolarHBondContact O-CB 3.37Å; A266-F270 PolarHBondContact O-N 2.78Å; Y267-F270 HydrophobicContact CD2-CD1 4.42Å; Y267-F270 WeakPolarHBondContact O-CB 3.27Å; Y267-F270 PolarHBondContact O-N 2.97Å; Y267-F270 VanDerWaalsContact O-N 3.14Å; L268-F270 PolarHBondContact O-N 3.31Å; F270-V272 PolarHBondContact O-N 3.24Å; F270-S273 PolarHBondContact O-N 3.07Å; F270-I274 HydrophobicContact CD2-CD1 4.45Å; F270-I274 HydrophobicContact CD2-CG1 3.81Å; F270-I274 HydrophobicContact CE2-CD1 3.84Å; F270-I274 HydrophobicContact CE2-CG1 3.51Å; F270-I274 HydrophobicContact CZ-CG1 4.36Å; F270-I274 WeakPolarHBondContact O-CG1 3.05Å; F270-I274 PolarHBondContact O-N 3.08Å; F270-I274 VanDerWaalsContact O-N 3.11Å; F270-W391 AromaticContact CD1-CH2 3.46Å; F270-W391 HydrophobicContact CD1-CH2 3.46Å; F270-W391 VanDerWaalsContact CD1-CH2 3.46Å; F270-W391 AromaticContact CD1-CZ2 3.74Å; F270-W391 HydrophobicContact CD1-CZ2 3.74Å; F270-W391 HydrophobicContact CD2-CH2 4.2Å; F270-W391 AromaticContact CE1-CH2 3.51Å; F270-W391 HydrophobicContact CE1-CH2 3.51Å; F270-W391 AromaticContact CE1-CZ2 3.92Å; F270-W391 HydrophobicContact CE1-CZ2 3.92Å; F270-W391 HydrophobicContact CE2-CH2 4.24Å; F270-W391 AromaticContact CG-CH2 3.82Å; F270-W391 HydrophobicContact CG-CH2 3.82Å; F270-W391 HydrophobicContact CG-CZ2 4.39Å; F270-W391 AromaticContact CZ-CH2 3.91Å; F270-W391 HydrophobicContact CZ-CH2 3.91Å; F270-V398 HydrophobicContact CE2-CG1 4.06Å; F270-V398 HydrophobicContact CE2-CG2 4.13Å; F270-V398 HydrophobicContact CZ-CB 4.13Å; F270-V398 HydrophobicContact CZ-CG1 4.02Å; F270-V398 HydrophobicContact CZ-CG2 3.82Å; F270-A408 HydrophobicContact CD2-CB 4.48Å; F270-A408 WeakPolarHBondContact CD2-O 3.45Å; F270-R409 HydrophobicContact CD2-CB 4.22Å; F270-R409 HydrophobicContact CE1-CG 4.05Å; F270-R409 HydrophobicContact CE2-CB 3.67Å; F270-R409 HydrophobicContact CE2-CG 4.12Å; F270-R409 HydrophobicContact CZ-CB 3.85Å; F270-R409 HydrophobicContact CZ-CG 3.8Å; F270-Y412 AromaticContact CD1-CD1 3.8Å; F270-Y412 HydrophobicContact CD1-CD1 3.8Å; F270-Y412 HydrophobicContact CD1-CE1 4.44Å; F270-Y412 HydrophobicContact CD1-CG 4.29Å; F270-Y412 HydrophobicContact CE1-CD1 4.23Å
271	M	98.6	Very high	97.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-50.9	-53.7	172	-69.6	166.9	174	0	0	111.9	Y267 L268 S273 I274 A275 M295 V298 L299 W391	Y267-M271 HydrophobicContact CD1-CE 3.58Å; Y267-M271 HydrophobicContact CE1-CE 3.06Å; Y267-M271 HydrophobicContact CE1-SD 4.5Å; Y267-M271 HydrophobicContact CE2-CE 4.38Å; Y267-M271 HydrophobicContact CG-CE 4.41Å; Y267-M271 WeakPolarHBondContact O-CG 3.47Å; Y267-M271 PolarHBondContact O-N 3.47Å; L268-M271 HydrophobicContact CD1-SD 4.25Å; L268-M271 WeakPolarHBondContact O-CB 3.43Å; L268-M271 PolarHBondContact O-N 3.38Å; M271-S273 VanDerWaalsContact C-N 3.34Å; M271-S273 PolarHBondContact O-N 3.49Å; M271-I274 PolarHBondContact O-N 3.05Å; M271-A275 WeakPolarHBondContact O-CB 3.45Å; M271-A275 PolarHBondContact O-N 2.84Å; M271-M295 HydrophobicContact CB-CB 4Å; M271-M295 HydrophobicContact CB-CG 3.92Å; M271-M295 HydrophobicContact CB-SD 3.83Å; M271-M295 HydrophobicContact SD-CB 4.49Å; M271-V298 HydrophobicContact CE-CG1 4.11Å; M271-V298 HydrophobicContact SD-CG1 4.43Å; M271-L299 HydrophobicContact SD-CB 4.47Å; M271-W391 HydrophobicContact CB-CD2 4.44Å; M271-W391 HydrophobicContact CB-CH2 4.3Å; M271-W391 HydrophobicContact CB-CZ2 4.22Å; M271-W391 HydrophobicContact CB-CZ3 4.47Å; M271-W391 HydrophobicContact CE-CG 4.5Å; M271-W391 HydrophobicContact CE-CZ2 4.5Å; M271-W391 HydrophobicContact CG-CD2 3.74Å; M271-W391 HydrophobicContact CG-CE3 4.25Å; M271-W391 HydrophobicContact CG-CG 4.27Å; M271-W391 HydrophobicContact CG-CH2 3.93Å; M271-W391 HydrophobicContact CG-CZ2 3.37Å; M271-W391 HydrophobicContact CG-CZ3 4.35Å
272	V	98.6	Very high	97.7	Very high	6 Å²	6	32.9 Å²	32.9	4%	0.036	16%	0.155	C	C	.	.	H	α-helix	trans	-61.4	-42.3	-177.9	168.5	0	0	0	0	111.4	L268 F270 I274 A275 K276 V291 W292 M295	L268-V272 HydrophobicContact CD1-CG2 4.32Å; L268-V272 WeakPolarHBondContact O-CG2 3.34Å; L268-V272 PolarHBondContact O-N 3.33Å; F270-V272 PolarHBondContact O-N 3.24Å; V272-I274 PolarHBondContact O-N 3.38Å; V272-A275 PolarHBondContact O-N 2.6Å; V272-K276 HydrophobicContact CG1-CD 4.18Å; V272-K276 HydrophobicContact CG1-CG 4.47Å; V272-K276 VanDerWaalsContact O-CG 3.32Å; V272-K276 WeakPolarHBondContact O-CG 3.29Å; V272-K276 PolarHBondContact O-N 3.04Å; V272-V291 HydrophobicContact CB-CG1 4.49Å; V272-V291 HydrophobicContact CG1-CG1 4.12Å; V272-W292 HydrophobicContact CG1-CE3 4.21Å; V272-W292 HydrophobicContact CG2-CD2 4.47Å; V272-W292 HydrophobicContact CG2-CE3 3.86Å; V272-W292 HydrophobicContact CG2-CZ3 4.37Å; V272-M295 HydrophobicContact CG2-CB 3.79Å; V272-M295 HydrophobicContact CG2-CG 4.04Å
273	S	98.3	Very high	97.8	Very high	43 Å²	43	33.8 Å²	33.8	30%	0.301	17%	0.166	S	C	.	.	H	α-helix	trans	-63.6	-44.1	-178.6	-58.8	0	0	0	0	111.4	H269 F270 M271 K276 I277	H269-S273 WeakPolarHBondContact O-CB 3.45Å; H269-S273 PolarHBondContact O-N 3.45Å; H269-S273 PolarHBondContact O-OG 2.89Å; F270-S273 PolarHBondContact O-N 3.07Å; M271-S273 VanDerWaalsContact C-N 3.34Å; M271-S273 PolarHBondContact O-N 3.49Å; S273-K276 PolarHBondContact O-N 2.68Å; S273-I277 VanDerWaalsContact O-CG1 3.31Å; S273-I277 WeakPolarHBondContact O-CG1 3.46Å; S273-I277 PolarHBondContact O-N 2.85Å
274	I	98.4	Very high	97.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-67.6	-42.4	178.8	-63.3	-69.1	0	0	0	111.1	W189 F270 M271 V272 K276 I277 T278 W391 I394 V398 F405 A408	W189-I274 HydrophobicContact CH2-CB 4.49Å; W189-I274 HydrophobicContact CH2-CG2 3.99Å; W189-I274 HydrophobicContact CZ3-CG2 3.99Å; F270-I274 HydrophobicContact CD2-CD1 4.45Å; F270-I274 HydrophobicContact CD2-CG1 3.81Å; F270-I274 HydrophobicContact CE2-CD1 3.84Å; F270-I274 HydrophobicContact CE2-CG1 3.51Å; F270-I274 HydrophobicContact CZ-CG1 4.36Å; F270-I274 WeakPolarHBondContact O-CG1 3.05Å; F270-I274 PolarHBondContact O-N 3.08Å; F270-I274 VanDerWaalsContact O-N 3.11Å; M271-I274 PolarHBondContact O-N 3.05Å; V272-I274 PolarHBondContact O-N 3.38Å; I274-K276 VanDerWaalsContact C-N 3.33Å; I274-K276 PolarHBondContact O-N 2.86Å; I274-I277 PolarHBondContact O-N 3.23Å; I274-T278 PolarHBondContact O-N 2.8Å; I274-T278 PolarHBondContact O-OG1 2.92Å; I274-W391 HydrophobicContact CB-CZ3 4Å; I274-W391 HydrophobicContact CG1-CZ3 4.1Å; I274-W391 HydrophobicContact CG2-CZ3 4.25Å; I274-I394 HydrophobicContact CG2-CG2 3.71Å; I274-V398 HydrophobicContact CD1-CG1 4.42Å; I274-V398 HydrophobicContact CD1-CG2 3.79Å; I274-V398 HydrophobicContact CG1-CG2 4.31Å; I274-F405 HydrophobicContact CD1-CD1 3.72Å; I274-F405 HydrophobicContact CD1-CE1 4.45Å; I274-A408 HydrophobicContact CD1-CB 3.91Å; I274-A408 HydrophobicContact CG1-CB 4.46Å
275	A	98.3	Very high	97.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-60	-41.8	175.6	0	0	0	0	0	112.3	W189 V191 M271 V272 T278 R279 V291 M295	W189-A275 HydrophobicContact CH2-CB 3.74Å; W189-A275 HydrophobicContact CZ2-CB 4.24Å; W189-A275 HydrophobicContact CZ3-CB 4.15Å; V191-A275 HydrophobicContact CG1-CB 3.88Å; V191-A275 HydrophobicContact CG2-CB 4.22Å; M271-A275 WeakPolarHBondContact O-CB 3.45Å; M271-A275 PolarHBondContact O-N 2.84Å; V272-A275 PolarHBondContact O-N 2.6Å; A275-T278 PolarHBondContact O-N 3.43Å; A275-R279 WeakPolarHBondContact O-CG 3.35Å; A275-R279 PolarHBondContact O-N 3.49Å; A275-V291 HydrophobicContact CB-CG1 3.58Å; A275-M295 HydrophobicContact CB-CG 4.48Å; A275-M295 HydrophobicContact CB-SD 4.49Å
276	K	98	Very high	97.1	Very high	68 Å²	68	41.9 Å²	41.9	30%	0.296	21%	0.214	S	C	.	.	H	α-helix	trans	-63.1	-46.7	175.7	-73.6	-177.8	-176.9	-164.7	0	112.5	V272 S273 I274 T278 R279 E280 D288 V291	V272-K276 HydrophobicContact CG1-CD 4.18Å; V272-K276 HydrophobicContact CG1-CG 4.47Å; V272-K276 VanDerWaalsContact O-CG 3.32Å; V272-K276 WeakPolarHBondContact O-CG 3.29Å; V272-K276 PolarHBondContact O-N 3.04Å; S273-K276 PolarHBondContact O-N 2.68Å; I274-K276 VanDerWaalsContact C-N 3.33Å; I274-K276 PolarHBondContact O-N 2.86Å; K276-T278 VanDerWaalsContact C-N 3.33Å; K276-T278 PolarHBondContact O-N 2.84Å; K276-R279 PolarHBondContact O-N 2.88Å; K276-E280 WeakPolarHBondContact O-CB 3.42Å; K276-E280 PolarHBondContact O-N 2.89Å; K276-D288 WeakPolarHBondContact CE-OD1 3.38Å; K276-D288 IonicContact NZ-OD1 3.31Å; K276-D288 PolarHBondContact NZ-OD1 2.92Å; K276-D288 IonicContact NZ-OD2 2.69Å; K276-D288 PolarHBondContact NZ-OD2 2.87Å; K276-V291 HydrophobicContact CG-CG1 4.18Å
277	I	97.4	Very high	96.9	Very high	24 Å²	24	44.9 Å²	44.9	12%	0.123	23%	0.23	C	C	.	.	H	α-helix	trans	-57.8	-47.9	176.5	-68.7	165.7	0	0	0	110	S273 I274 R279 E280 D281 F405 A408	S273-I277 VanDerWaalsContact O-CG1 3.31Å; S273-I277 WeakPolarHBondContact O-CG1 3.46Å; S273-I277 PolarHBondContact O-N 2.85Å; I274-I277 PolarHBondContact O-N 3.23Å; I277-R279 VanDerWaalsContact C-N 3.35Å; I277-R279 PolarHBondContact O-N 2.98Å; I277-E280 PolarHBondContact O-N 3.43Å; I277-D281 VanDerWaalsContact O-CG 3.22Å; I277-D281 PolarHBondContact O-N 3.05Å; I277-F405 HydrophobicContact CB-CE1 4.37Å; I277-F405 HydrophobicContact CG2-CD1 4.45Å; I277-F405 HydrophobicContact CG2-CE1 3.6Å; I277-F405 HydrophobicContact CG2-CE2 4.06Å; I277-F405 HydrophobicContact CG2-CZ 3.35Å; I277-A408 HydrophobicContact CD1-CB 4.22Å
278	T	97.5	Very high	96.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-60.9	-41.8	178.8	-58.4	0	0	0	0	112.2	L180 I183 W189 A192 I274 A275 K276 D281 K282	L180-T278 HydrophobicContact CD2-CG2 3.75Å; I183-T278 HydrophobicContact CD1-CG2 3.78Å; W189-T278 HydrophobicContact CE3-CG2 4.19Å; A192-T278 HydrophobicContact CB-CG2 3.64Å; I274-T278 PolarHBondContact O-N 2.8Å; I274-T278 PolarHBondContact O-OG1 2.92Å; A275-T278 PolarHBondContact O-N 3.43Å; K276-T278 VanDerWaalsContact C-N 3.33Å; K276-T278 PolarHBondContact O-N 2.84Å; T278-D281 PolarHBondContact O-N 3.44Å; T278-K282 WeakPolarHBondContact O-CB 3.31Å; T278-K282 WeakPolarHBondContact O-CG 3.47Å; T278-K282 PolarHBondContact O-N 3.45Å
279	R	97.4	Very high	96.7	Very high	7 Å²	7	55 Å²	55	3%	0.026	28%	0.28	C	S	.	.	H	α-helix	trans	-63.7	-44.9	176.6	-75.9	-177.8	74.9	76.3	6.5	112.2	V191 A192 E194 A275 K276 I277 D281 K282 N283 L284 T285 V291	V191-R279 WeakPolarHBondContact O-CD 3.5Å; V191-R279 PolarHBondContact O-NH1 2.91Å; A192-R279 HydrophobicContact CB-CG 3.85Å; E194-R279 IonicContact OE1-CZ 3.37Å; E194-R279 IonicContact OE1-NH1 3.7Å; E194-R279 IonicContact OE1-NH2 2.71Å; E194-R279 PolarHBondContact OE1-NH2 3.19Å; A275-R279 WeakPolarHBondContact O-CG 3.35Å; A275-R279 PolarHBondContact O-N 3.49Å; K276-R279 PolarHBondContact O-N 2.88Å; I277-R279 VanDerWaalsContact C-N 3.35Å; I277-R279 PolarHBondContact O-N 2.98Å; R279-D281 VanDerWaalsContact C-N 3.34Å; R279-K282 CarbonylContact O-C 3.21Å; R279-K282 PolarHBondContact O-N 3.12Å; R279-N283 PolarHBondContact O-N 3.44Å; R279-L284 HydrophobicContact CB-CB 4.32Å; R279-L284 HydrophobicContact CG-CD1 4.32Å; R279-L284 PolarHBondContact O-N 3.36Å; R279-T285 PolarHBondContact NE-O 3.3Å; R279-T285 PolarHBondContact NH2-O 2.74Å; R279-V291 VanDerWaalsContact CD-CG2 3.43Å
280	E	97.2	Very high	96.5	Very high	108 Å²	108	54.8 Å²	54.8	51%	0.505	28%	0.276	S	S	.	.	H	α-helix	trans	-58.6	-47.2	177.3	-177.1	175.5	-169.7	0	0	110.7	K276 I277 K282 N283	K276-E280 WeakPolarHBondContact O-CB 3.42Å; K276-E280 PolarHBondContact O-N 2.89Å; I277-E280 PolarHBondContact O-N 3.43Å; E280-K282 VanDerWaalsContact C-N 3.33Å; E280-K282 PolarHBondContact O-N 3.49Å; E280-N283 WeakPolarHBondContact O-CA 3.34Å; E280-N283 PolarHBondContact O-N 2.78Å
281	D	96.9	Very high	96.5	Very high	39 Å²	39	54.7 Å²	54.7	21%	0.209	28%	0.276	C	S	.	.	H	α-helix	trans	-69.5	-29.1	-179.6	-64.6	-19.9	0	0	0	113.7	S176 L180 I277 T278 R279 N283 R404	S176-D281 WeakPolarHBondContact CB-OD2 3.43Å; S176-D281 VanDerWaalsContact OG-CG 3.31Å; S176-D281 PolarHBondContact OG-OD2 3.49Å; L180-D281 HydrophobicContact CD1-CB 4.29Å; I277-D281 VanDerWaalsContact O-CG 3.22Å; I277-D281 PolarHBondContact O-N 3.05Å; T278-D281 PolarHBondContact O-N 3.44Å; R279-D281 VanDerWaalsContact C-N 3.34Å; D281-N283 PolarHBondContact O-N 3.23Å; D281-R404 IonicContact OD1-CZ 3.56Å; D281-R404 VanDerWaalsContact OD1-CZ 3.32Å; D281-R404 IonicContact OD1-NH1 2.66Å; D281-R404 PolarHBondContact OD1-NH1 3.02Å; D281-R404 IonicContact OD1-NH2 2.89Å; D281-R404 PolarHBondContact OD1-NH2 3.03Å; D281-R404 IonicContact OD2-CZ 3.66Å; D281-R404 IonicContact OD2-NH1 3.61Å; D281-R404 IonicContact OD2-NH2 3.02Å; D281-R404 PolarHBondContact OD2-NH2 3.1Å
282	K	96.3	Very high	96.5	Very high	51 Å²	51	59.1 Å²	59.1	22%	0.222	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	1.4	170	-73.8	-166.6	171.1	-157.9	0	112.8	L180 D184 D188 A192 T278 R279 E280 L284	L180-K282 HydrophobicContact CD1-CG 4.48Å; L180-K282 HydrophobicContact CD2-CD 4.34Å; L180-K282 HydrophobicContact CD2-CG 3.84Å; D184-K282 IonicContact OD1-NZ 3.85Å; D184-K282 PolarHBondContact OD1-NZ 2.87Å; D188-K282 IonicContact OD1-NZ 3.68Å; D188-K282 PolarHBondContact OD1-NZ 3.39Å; D188-K282 IonicContact OD2-NZ 3.17Å; A192-K282 WeakPolarHBondContact O-CD 3.45Å; T278-K282 WeakPolarHBondContact O-CB 3.31Å; T278-K282 WeakPolarHBondContact O-CG 3.47Å; T278-K282 PolarHBondContact O-N 3.45Å; R279-K282 CarbonylContact O-C 3.21Å; R279-K282 PolarHBondContact O-N 3.12Å; E280-K282 VanDerWaalsContact C-N 3.33Å; E280-K282 PolarHBondContact O-N 3.49Å; K282-L284 VanDerWaalsContact C-N 3.25Å; K282-L284 HydrophobicContact CB-CD1 4.11Å; K282-L284 HydrophobicContact CB-CD2 4.48Å; K282-L284 HydrophobicContact CB-CG 3.81Å; K282-L284 PolarHBondContact O-N 3.05Å
283	N	96.4	Very high	96.5	Very high	151 Å²	151	62.4 Å²	62.4	81%	0.807	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	37.6	-174.9	-61.6	-66.2	0	0	0	113.4	R279 E280 D281	R279-N283 PolarHBondContact O-N 3.44Å; E280-N283 WeakPolarHBondContact O-CA 3.34Å; E280-N283 PolarHBondContact O-N 2.78Å; D281-N283 PolarHBondContact O-N 3.23Å
284	L	95.7	Very high	96.5	Very high	44 Å²	44	61.6 Å²	61.6	23%	0.23	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-86.1	161.2	177.2	-58.5	-177	0	0	0	111.5	A192 E194 R279 K282 Q286	A192-L284 VanDerWaalsContact C-CD1 3.43Å; A192-L284 WeakPolarHBondContact O-CD1 3.43Å; E194-L284 HydrophobicContact CG-CD2 4.05Å; R279-L284 HydrophobicContact CB-CB 4.32Å; R279-L284 HydrophobicContact CG-CD1 4.32Å; R279-L284 PolarHBondContact O-N 3.36Å; K282-L284 VanDerWaalsContact C-N 3.25Å; K282-L284 HydrophobicContact CB-CD1 4.11Å; K282-L284 HydrophobicContact CB-CD2 4.48Å; K282-L284 HydrophobicContact CB-CG 3.81Å; K282-L284 PolarHBondContact O-N 3.05Å; L284-Q286 PolarHBondContact O-N 3.41Å
285	T	92.1	Very high	96.5	Very high	106 Å²	106	61.6 Å²	61.6	65%	0.65	30%	0.302	S	S	*	.	P	Polyproline II helix	trans	-61.5	132.9	176.3	-52.1	0	0	0	0	109.7	R279 D287	R279-T285 PolarHBondContact NE-O 3.3Å; R279-T285 PolarHBondContact NH2-O 2.74Å; T285-D287 PolarHBondContact O-N 3.34Å
286	Q	90.8	Very high	96.5	Very high	147 Å²	147	65.6 Å²	65.6	69%	0.687	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-70.3	119.9	173.3	-72.4	-173.7	-10.8	0	0	109.7	L284	L284-Q286 PolarHBondContact O-N 3.41Å
287	D	93.5	Very high	96.6	Very high	64 Å²	64	66.2 Å²	66.2	34%	0.342	33%	0.326	S	S	.	.			trans	-139.4	79	178.9	-170.7	-15	0	0	0	108.5	T285 E289 R290 V291	T285-D287 PolarHBondContact O-N 3.34Å; D287-E289 VanDerWaalsContact C-N 3.26Å; D287-E289 PolarHBondContact O-N 3.47Å; D287-R290 HydrophobicContact CB-CB 4.06Å; D287-R290 PolarHBondContact O-N 2.72Å; D287-R290 WeakPolarHBondContact OD1-CB 3.21Å; D287-R290 PolarHBondContact OD1-N 2.71Å; D287-R290 VanDerWaalsContact OD2-CB 3.3Å; D287-R290 WeakPolarHBondContact OD2-CB 3.31Å; D287-V291 VanDerWaalsContact O-CG2 3.32Å; D287-V291 WeakPolarHBondContact O-CG2 3.16Å; D287-V291 PolarHBondContact O-N 2.61Å; D287-V291 VanDerWaalsContact O-N 3.08Å
288	D	95.1	Very high	96.6	Very high	84 Å²	84	65.1 Å²	65.1	45%	0.449	32%	0.32	S	S	.	.	H	α-helix	trans	-63.7	-32.3	-173.8	-83.1	1.5	0	0	0	112.9	K276 W292	K276-D288 WeakPolarHBondContact CE-OD1 3.38Å; K276-D288 IonicContact NZ-OD1 3.31Å; K276-D288 PolarHBondContact NZ-OD1 2.92Å; K276-D288 IonicContact NZ-OD2 2.69Å; K276-D288 PolarHBondContact NZ-OD2 2.87Å; D288-W292 WeakPolarHBondContact O-CB 3.17Å; D288-W292 PolarHBondContact O-N 3.29Å
289	E	96.6	Very high	96.7	Very high	148 Å²	148	66.2 Å²	66.2	69%	0.692	33%	0.326	S	S	*	.	H	α-helix	trans	-70.9	-48.4	179.4	-172.3	173.3	-172.4	0	0	110.3	D287 V291 W292 D293	D287-E289 VanDerWaalsContact C-N 3.26Å; D287-E289 PolarHBondContact O-N 3.47Å; E289-V291 PolarHBondContact O-N 2.81Å; E289-W292 WeakPolarHBondContact O-CB 3.3Å; E289-W292 PolarHBondContact O-N 2.47Å; E289-D293 PolarHBondContact O-N 3.16Å
290	R	95.8	Very high	96.7	Very high	58 Å²	58	71.4 Å²	71.4	22%	0.219	35%	0.348	C	S	.	.	H	α-helix	trans	-57.6	-46.9	174.1	176.9	-177.9	166.8	-168.2	-7.4	112	P190 S193 E194 D287 W292 D293 E294	P190-R290 PolarHBondContact O-NH2 2.99Å; S193-R290 PolarHBondContact O-NH2 3.26Å; E194-R290 IonicContact OE2-NH1 3.22Å; E194-R290 PolarHBondContact OE2-NH1 2.89Å; D287-R290 HydrophobicContact CB-CB 4.06Å; D287-R290 PolarHBondContact O-N 2.72Å; D287-R290 WeakPolarHBondContact OD1-CB 3.21Å; D287-R290 PolarHBondContact OD1-N 2.71Å; D287-R290 VanDerWaalsContact OD2-CB 3.3Å; D287-R290 WeakPolarHBondContact OD2-CB 3.31Å; R290-W292 VanDerWaalsContact C-N 3.3Å; R290-W292 PolarHBondContact O-N 3.19Å; R290-D293 PolarHBondContact O-N 3.41Å; R290-E294 HydrophobicContact CG-CG 4.37Å; R290-E294 WeakPolarHBondContact CG-OE1 3.02Å; R290-E294 IonicContact CZ-OE1 3.89Å; R290-E294 IonicContact NE-OE1 3.51Å; R290-E294 PolarHBondContact NE-OE1 3.02Å; R290-E294 IonicContact NH2-OE1 2.78Å; R290-E294 PolarHBondContact NH2-OE1 2.96Å; R290-E294 WeakPolarHBondContact O-CB 3.5Å; R290-E294 WeakPolarHBondContact O-CG 3.45Å; R290-E294 PolarHBondContact O-N 3.09Å
291	V	98.2	Very high	96.8	Very high	1 Å²	1	66.2 Å²	66.2	1%	0.006	32%	0.324	C	S	.	.	H	α-helix	trans	-60.8	-43	179.6	173.8	0	0	0	0	110.8	V191 V272 A275 K276 R279 D287 E289 M295	V191-V291 HydrophobicContact CG2-CB 4.25Å; V191-V291 HydrophobicContact CG2-CG1 4.15Å; V191-V291 HydrophobicContact CG2-CG2 4.05Å; V272-V291 HydrophobicContact CB-CG1 4.49Å; V272-V291 HydrophobicContact CG1-CG1 4.12Å; A275-V291 HydrophobicContact CB-CG1 3.58Å; K276-V291 HydrophobicContact CG-CG1 4.18Å; R279-V291 VanDerWaalsContact CD-CG2 3.43Å; D287-V291 VanDerWaalsContact O-CG2 3.32Å; D287-V291 WeakPolarHBondContact O-CG2 3.16Å; D287-V291 PolarHBondContact O-N 2.61Å; D287-V291 VanDerWaalsContact O-N 3.08Å; E289-V291 PolarHBondContact O-N 2.81Å; V291-M295 HydrophobicContact CG1-CG 4.42Å; V291-M295 WeakPolarHBondContact O-CB 3.45Å; V291-M295 VanDerWaalsContact O-CG 3.29Å; V291-M295 WeakPolarHBondContact O-CG 3.42Å; V291-M295 PolarHBondContact O-N 3.15Å
292	W	98.4	Very high	96.9	Very high	92 Å²	92	64.4 Å²	64.4	35%	0.348	31%	0.314	S	S	.	.	H	α-helix	trans	-61.3	-48.7	177.5	-175.2	-85.6	0	0	0	111.7	L268 H269 V272 D288 E289 R290 M295 M296	L268-W292 HydrophobicContact CD2-CH2 4.14Å; L268-W292 HydrophobicContact CD2-CZ2 3.79Å; L268-W292 HydrophobicContact CG-CH2 4.49Å; H269-W292 AromaticContact CE1-CH2 3.61Å; H269-W292 AromaticContact CE1-CZ3 3.63Å; H269-W292 AromaticContact ND1-CH2 3.99Å; H269-W292 AromaticContact ND1-CZ3 3.66Å; V272-W292 HydrophobicContact CG1-CE3 4.21Å; V272-W292 HydrophobicContact CG2-CD2 4.47Å; V272-W292 HydrophobicContact CG2-CE3 3.86Å; V272-W292 HydrophobicContact CG2-CZ3 4.37Å; D288-W292 WeakPolarHBondContact O-CB 3.17Å; D288-W292 PolarHBondContact O-N 3.29Å; E289-W292 WeakPolarHBondContact O-CB 3.3Å; E289-W292 PolarHBondContact O-N 2.47Å; R290-W292 VanDerWaalsContact C-N 3.3Å; R290-W292 PolarHBondContact O-N 3.19Å; W292-M295 PolarHBondContact O-N 2.91Å; W292-M296 VanDerWaalsContact O-CB 3.32Å; W292-M296 WeakPolarHBondContact O-CB 3.3Å; W292-M296 PolarHBondContact O-N 3.17Å
293	D	98.3	Very high	97	Very high	76 Å²	76	63.5 Å²	63.5	41%	0.406	31%	0.313	S	S	.	.	H	α-helix	trans	-64.8	-43.5	-179	-77.3	-11.6	0	0	0	112.3	E289 R290 M295 M296 Q297	E289-D293 PolarHBondContact O-N 3.16Å; R290-D293 PolarHBondContact O-N 3.41Å; D293-M295 PolarHBondContact O-N 3.2Å; D293-M296 PolarHBondContact O-N 3.16Å; D293-Q297 VanDerWaalsContact O-CG 3.27Å; D293-Q297 WeakPolarHBondContact O-CG 3.42Å; D293-Q297 PolarHBondContact O-N 3.43Å
294	E	98.4	Very high	97.1	Very high	25 Å²	25	57.7 Å²	57.7	12%	0.117	28%	0.282	C	S	.	.	H	α-helix	trans	-63.4	-42	177	-73.7	-166.3	-142.3	0	0	111.9	V191 R290 Q297 V298 Q383 N387	V191-E294 WeakPolarHBondContact CA-OE2 3.47Å; V191-E294 HydrophobicContact CB-CB 4.31Å; V191-E294 WeakPolarHBondContact CB-OE2 3.45Å; V191-E294 HydrophobicContact CG2-CB 3.87Å; V191-E294 HydrophobicContact CG2-CG 4.46Å; V191-E294 PolarHBondContact N-OE2 2.05Å; R290-E294 HydrophobicContact CG-CG 4.37Å; R290-E294 WeakPolarHBondContact CG-OE1 3.02Å; R290-E294 IonicContact CZ-OE1 3.89Å; R290-E294 IonicContact NE-OE1 3.51Å; R290-E294 PolarHBondContact NE-OE1 3.02Å; R290-E294 IonicContact NH2-OE1 2.78Å; R290-E294 PolarHBondContact NH2-OE1 2.96Å; R290-E294 WeakPolarHBondContact O-CB 3.5Å; R290-E294 WeakPolarHBondContact O-CG 3.45Å; R290-E294 PolarHBondContact O-N 3.09Å; E294-Q297 PolarHBondContact O-N 3.41Å; E294-V298 WeakPolarHBondContact O-CG2 3.31Å; E294-V298 PolarHBondContact O-N 2.03Å; E294-Q383 PolarHBondContact OE1-NE2 3.43Å; E294-Q383 PolarHBondContact OE2-NE2 3.2Å; E294-N387 PolarHBondContact OE2-ND2 3.39Å
295	M	98.6	Very high	97.2	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-72.6	-30.4	177.5	-65.4	-59.4	91.7	0	0	112.9	W189 V191 L268 M271 V272 A275 V291 W292 D293 Q297 V298 L299 N387	W189-M295 HydrophobicContact CZ2-CE 4.37Å; W189-M295 HydrophobicContact CZ2-SD 4.02Å; V191-M295 HydrophobicContact CB-CE 3.81Å; V191-M295 HydrophobicContact CG1-CE 3.75Å; V191-M295 HydrophobicContact CG2-CE 3.96Å; L268-M295 HydrophobicContact CD1-CB 3.89Å; M271-M295 HydrophobicContact CB-CB 4Å; M271-M295 HydrophobicContact CB-CG 3.92Å; M271-M295 HydrophobicContact CB-SD 3.83Å; M271-M295 HydrophobicContact SD-CB 4.49Å; V272-M295 HydrophobicContact CG2-CB 3.79Å; V272-M295 HydrophobicContact CG2-CG 4.04Å; A275-M295 HydrophobicContact CB-CG 4.48Å; A275-M295 HydrophobicContact CB-SD 4.49Å; V291-M295 HydrophobicContact CG1-CG 4.42Å; V291-M295 WeakPolarHBondContact O-CB 3.45Å; V291-M295 VanDerWaalsContact O-CG 3.29Å; V291-M295 WeakPolarHBondContact O-CG 3.42Å; V291-M295 PolarHBondContact O-N 3.15Å; W292-M295 PolarHBondContact O-N 2.91Å; D293-M295 PolarHBondContact O-N 3.2Å; M295-Q297 VanDerWaalsContact C-N 3.31Å; M295-V298 HydrophobicContact CE-CG2 3.74Å; M295-V298 WeakPolarHBondContact O-CB 3.41Å; M295-V298 PolarHBondContact O-N 2.96Å; M295-L299 PolarHBondContact O-N 3.23Å; M295-N387 HydrophobicContact CE-CB 4.18Å
296	M	98.5	Very high	97.5	Very high	85 Å²	85	50.6 Å²	50.6	42%	0.419	24%	0.24	S	C	.	.	H	α-helix	trans	-63.9	-38.3	170.5	-178.8	173	53.5	0	0	111.2	W292 D293 L299 K300	W292-M296 VanDerWaalsContact O-CB 3.32Å; W292-M296 WeakPolarHBondContact O-CB 3.3Å; W292-M296 PolarHBondContact O-N 3.17Å; D293-M296 PolarHBondContact O-N 3.16Å; M296-L299 PolarHBondContact O-N 3.49Å; M296-K300 WeakPolarHBondContact O-CB 3.21Å; M296-K300 PolarHBondContact O-N 3.24Å
297	Q	98.7	Very high	97.8	Very high	81 Å²	81	47.8 Å²	47.8	38%	0.379	23%	0.23	S	C	.	.	H	α-helix	trans	-67.6	-36.6	174.3	-66.1	-76.5	64.5	0	0	112.2	D293 E294 M295 K300 L301 T384	D293-Q297 VanDerWaalsContact O-CG 3.27Å; D293-Q297 WeakPolarHBondContact O-CG 3.42Å; D293-Q297 PolarHBondContact O-N 3.43Å; E294-Q297 PolarHBondContact O-N 3.41Å; M295-Q297 VanDerWaalsContact C-N 3.31Å; Q297-K300 PolarHBondContact O-N 2.98Å; Q297-L301 WeakPolarHBondContact O-CB 3.21Å; Q297-L301 PolarHBondContact O-N 3.44Å; Q297-T384 HydrophobicContact CB-CG2 3.93Å
298	V	98.8	Very high	98	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61	-47.4	171.2	170.6	0	0	0	0	111.3	M271 E294 M295 K300 L301 E302 N387 Y388	M271-V298 HydrophobicContact CE-CG1 4.11Å; M271-V298 HydrophobicContact SD-CG1 4.43Å; E294-V298 WeakPolarHBondContact O-CG2 3.31Å; E294-V298 PolarHBondContact O-N 2.03Å; M295-V298 HydrophobicContact CE-CG2 3.74Å; M295-V298 WeakPolarHBondContact O-CB 3.41Å; M295-V298 PolarHBondContact O-N 2.96Å; V298-K300 VanDerWaalsContact C-N 3.28Å; V298-K300 PolarHBondContact O-N 3.47Å; V298-L301 PolarHBondContact O-N 3Å; V298-E302 PolarHBondContact O-N 3.26Å; V298-N387 HydrophobicContact CG2-CB 3.52Å; V298-Y388 HydrophobicContact CG1-CD2 3.97Å
299	L	98.7	Very high	98.1	Very high	24 Å²	24	41.1 Å²	41.1	13%	0.126	20%	0.195	C	C	.	.	H	α-helix	trans	-61.8	-38.1	176.7	178.5	62.6	0	0	0	111.7	M248 Y254 Y267 L268 M271 M295 M296 E302 T303	M248-L299 HydrophobicContact CE-CD1 4.35Å; Y254-L299 HydrophobicContact CE1-CD1 4.32Å; Y267-L299 HydrophobicContact CD1-CD1 4.14Å; L268-L299 HydrophobicContact CB-CD2 4.15Å; L268-L299 HydrophobicContact CD2-CD2 4.41Å; M271-L299 HydrophobicContact SD-CB 4.47Å; M295-L299 PolarHBondContact O-N 3.23Å; M296-L299 PolarHBondContact O-N 3.49Å; L299-E302 PolarHBondContact O-N 3.36Å; L299-T303 WeakPolarHBondContact O-CB 3.31Å; L299-T303 PolarHBondContact O-N 3.3Å; L299-T303 PolarHBondContact O-OG1 3.31Å
300	K	98.6	Very high	98.1	Very high	115 Å²	115	34.5 Å²	34.5	50%	0.5	17%	0.165	S	C	.	.	H	α-helix	trans	-65.9	-44	176.8	-164.6	-170	174.1	179.9	0	111.9	M296 Q297 V298 T303 D304 Y380	M296-K300 WeakPolarHBondContact O-CB 3.21Å; M296-K300 PolarHBondContact O-N 3.24Å; Q297-K300 PolarHBondContact O-N 2.98Å; V298-K300 VanDerWaalsContact C-N 3.28Å; V298-K300 PolarHBondContact O-N 3.47Å; K300-T303 WeakPolarHBondContact O-CB 3.08Å; K300-T303 PolarHBondContact O-N 2.94Å; K300-D304 PolarHBondContact O-N 2.68Å; K300-Y380 VanDerWaalsContact C-OH 3.3Å; K300-Y380 WeakPolarHBondContact CG-OH 3.46Å; K300-Y380 PolarHBondContact O-OH 3.35Å
301	L	98.6	Very high	98	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-57.4	-49.3	172.9	167.6	58.9	0	0	0	111	Q297 V298 T303 D304 I305 V376 Y380 T384 M385 Y388	Q297-L301 WeakPolarHBondContact O-CB 3.21Å; Q297-L301 PolarHBondContact O-N 3.44Å; V298-L301 PolarHBondContact O-N 3Å; L301-T303 VanDerWaalsContact C-N 3.29Å; L301-T303 PolarHBondContact O-N 3.45Å; L301-D304 WeakPolarHBondContact O-CB 3.49Å; L301-D304 PolarHBondContact O-N 3.37Å; L301-D304 VanDerWaalsContact O-N 3.13Å; L301-I305 HydrophobicContact CD1-CD1 3.95Å; L301-I305 HydrophobicContact CD1-CG1 4.17Å; L301-I305 HydrophobicContact CG-CD1 4.1Å; L301-I305 WeakPolarHBondContact O-CG1 3.45Å; L301-I305 PolarHBondContact O-N 3.21Å; L301-V376 HydrophobicContact CD1-CG1 4Å; L301-Y380 VanDerWaalsContact CA-CZ 3.47Å; L301-Y380 HydrophobicContact CB-CD1 3.97Å; L301-Y380 HydrophobicContact CB-CD2 4.28Å; L301-Y380 HydrophobicContact CB-CE1 3.79Å; L301-Y380 HydrophobicContact CB-CE2 4.13Å; L301-Y380 HydrophobicContact CB-CG 4.21Å; L301-Y380 HydrophobicContact CD1-CD2 3.48Å; L301-Y380 VanDerWaalsContact CD1-CD2 3.48Å; L301-Y380 HydrophobicContact CD1-CE2 3.76Å; L301-Y380 HydrophobicContact CD1-CG 3.92Å; L301-Y380 HydrophobicContact CG-CD2 4.39Å; L301-Y380 HydrophobicContact CG-CG 4.45Å; L301-Y380 PolarHBondContact N-OH 2.95Å; L301-T384 HydrophobicContact CB-CG2 4.41Å; L301-T384 HydrophobicContact CD2-CG2 4.26Å; L301-M385 HydrophobicContact CD1-CE 3.94Å; L301-M385 HydrophobicContact CD2-CE 3.69Å; L301-M385 HydrophobicContact CD2-SD 4.11Å; L301-M385 HydrophobicContact CG-CE 4.47Å; L301-Y388 HydrophobicContact CD2-CD1 4.07Å; L301-Y388 HydrophobicContact CD2-CG 3.94Å; L301-Y388 HydrophobicContact CG-CG 4.46Å
302	E	98.6	Very high	97.6	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-65.3	-33.6	179.1	-165.5	179.9	-138.4	0	0	112.5	L246 G247 Y254 Y267 V298 L299 D304 I305 A306 Y388 Q392	L246-E302 HydrophobicContact CD2-CG 4.37Å; G247-E302 WeakPolarHBondContact CA-OE1 3.47Å; G247-E302 PolarHBondContact N-OE1 3.5Å; Y254-E302 HydrophobicContact CE1-CB 4.1Å; Y254-E302 HydrophobicContact CE1-CG 3.73Å; Y254-E302 WeakPolarHBondContact CE1-OE2 3.47Å; Y254-E302 PolarHBondContact OH-OE1 3.31Å; Y254-E302 PolarHBondContact OH-OE2 3.39Å; Y267-E302 VanDerWaalsContact CE1-OE2 3.26Å; Y267-E302 WeakPolarHBondContact CE1-OE2 3.33Å; V298-E302 PolarHBondContact O-N 3.26Å; L299-E302 PolarHBondContact O-N 3.36Å; E302-D304 VanDerWaalsContact C-N 3.31Å; E302-D304 PolarHBondContact O-N 3.48Å; E302-I305 PolarHBondContact O-N 2.94Å; E302-A306 WeakPolarHBondContact O-CB 3.38Å; E302-A306 PolarHBondContact O-N 3.37Å; E302-Y388 HydrophobicContact CB-CD2 4.27Å; E302-Y388 HydrophobicContact CB-CE2 3.74Å; E302-Y388 HydrophobicContact CG-CE2 3.68Å; E302-Q392 PolarHBondContact OE1-NE2 3.49Å
303	T	98.6	Very high	97.2	Very high	33 Å²	33	34.6 Å²	34.6	20%	0.202	18%	0.182	C	C	.	.	H	α-helix	trans	-60.9	-41.3	172.4	-59.1	0	0	0	0	111.4	F255 L299 K300 L301 A306 N307	F255-T303 HydrophobicContact CE1-CG2 3.87Å; F255-T303 HydrophobicContact CZ-CG2 4.5Å; L299-T303 WeakPolarHBondContact O-CB 3.31Å; L299-T303 PolarHBondContact O-N 3.3Å; L299-T303 PolarHBondContact O-OG1 3.31Å; K300-T303 WeakPolarHBondContact O-CB 3.08Å; K300-T303 PolarHBondContact O-N 2.94Å; L301-T303 VanDerWaalsContact C-N 3.29Å; L301-T303 PolarHBondContact O-N 3.45Å; T303-A306 PolarHBondContact O-N 2.86Å; T303-N307 WeakPolarHBondContact O-CB 3.3Å; T303-N307 PolarHBondContact O-N 3.27Å
304	D	98.3	Very high	96.9	Very high	29 Å²	29	37.5 Å²	37.5	16%	0.155	19%	0.193	C	C	.	.	H	α-helix	trans	-69.4	-38.1	176.7	-73.7	-24.3	0	0	0	112.4	K300 L301 E302 N307 A308 V376 R379 Y380	K300-D304 PolarHBondContact O-N 2.68Å; L301-D304 WeakPolarHBondContact O-CB 3.49Å; L301-D304 PolarHBondContact O-N 3.37Å; L301-D304 VanDerWaalsContact O-N 3.13Å; E302-D304 VanDerWaalsContact C-N 3.31Å; E302-D304 PolarHBondContact O-N 3.48Å; D304-N307 PolarHBondContact O-N 2.82Å; D304-A308 PolarHBondContact O-N 3.18Å; D304-V376 HydrophobicContact CB-CG1 3.89Å; D304-V376 HydrophobicContact CB-CG2 4.2Å; D304-R379 IonicContact OD1-NH2 2.69Å; D304-R379 PolarHBondContact OD1-NH2 3.18Å; D304-R379 IonicContact OD2-CZ 3.59Å; D304-R379 IonicContact OD2-NE 3.27Å; D304-R379 IonicContact OD2-NH2 2.65Å; D304-R379 PolarHBondContact OD2-NH2 2.65Å; D304-Y380 HydrophobicContact CB-CE2 4.37Å; D304-Y380 VanDerWaalsContact OD2-CE2 3.26Å; D304-Y380 WeakPolarHBondContact OD2-CE2 3.22Å; D304-Y380 VanDerWaalsContact OD2-CZ 3.3Å; D304-Y380 PolarHBondContact OD2-OH 3.42Å
305	I	98.2	Very high	96.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.4	-48.3	171.5	-66.4	171	0	0	0	109.8	P244 L246 L301 E302 N307 A308 T309 Y369 M373 V376 Y388	P244-I305 HydrophobicContact CG-CG2 4.4Å; L246-I305 HydrophobicContact CD2-CG2 4.08Å; L301-I305 HydrophobicContact CD1-CD1 3.95Å; L301-I305 HydrophobicContact CD1-CG1 4.17Å; L301-I305 HydrophobicContact CG-CD1 4.1Å; L301-I305 WeakPolarHBondContact O-CG1 3.45Å; L301-I305 PolarHBondContact O-N 3.21Å; E302-I305 PolarHBondContact O-N 2.94Å; I305-N307 PolarHBondContact O-N 2.85Å; I305-A308 WeakPolarHBondContact O-CA 3.26Å; I305-A308 WeakPolarHBondContact O-CB 3.46Å; I305-A308 PolarHBondContact O-N 2.66Å; I305-T309 WeakPolarHBondContact O-CG2 3.48Å; I305-T309 PolarHBondContact O-N 2.97Å; I305-T309 VanDerWaalsContact O-N 3.09Å; I305-Y369 HydrophobicContact CG2-CE2 4.21Å; I305-M373 HydrophobicContact CG1-CE 4.25Å; I305-M373 HydrophobicContact CG1-SD 4.48Å; I305-V376 HydrophobicContact CG1-CG1 4.07Å; I305-Y388 HydrophobicContact CD1-CD1 4.23Å; I305-Y388 HydrophobicContact CD1-CE1 3.52Å
306	A	98.2	Very high	96.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-59.2	-34.3	177	0	0	0	0	0	112.2	L246 R251 Y254 F255 E302 T303 A308 T309	L246-A306 HydrophobicContact CD1-CB 3.67Å; L246-A306 HydrophobicContact CD2-CB 4.15Å; R251-A306 HydrophobicContact CB-CB 4.44Å; R251-A306 PolarHBondContact NE-O 3.42Å; Y254-A306 HydrophobicContact CD1-CB 4.23Å; Y254-A306 HydrophobicContact CD2-CB 3.61Å; Y254-A306 HydrophobicContact CE2-CB 4.06Å; Y254-A306 HydrophobicContact CG-CB 3.72Å; F255-A306 HydrophobicContact CE2-CB 4.28Å; F255-A306 HydrophobicContact CZ-CB 4.12Å; E302-A306 WeakPolarHBondContact O-CB 3.38Å; E302-A306 PolarHBondContact O-N 3.37Å; T303-A306 PolarHBondContact O-N 2.86Å; A306-A308 VanDerWaalsContact C-N 3.33Å; A306-T309 PolarHBondContact O-N 3.31Å; A306-T309 PolarHBondContact O-OG1 3.03Å
307	N	97.8	Very high	95.8	Very high	89 Å²	89	40.3 Å²	40.3	48%	0.476	21%	0.205	S	C	.	.	H	α-helix	trans	-71	-32.9	176.4	-172.1	47.2	0	0	0	111.7	F255 T303 D304 I305	F255-N307 HydrophobicContact CE1-CB 4.03Å; F255-N307 HydrophobicContact CZ-CB 3.62Å; T303-N307 WeakPolarHBondContact O-CB 3.3Å; T303-N307 PolarHBondContact O-N 3.27Å; D304-N307 PolarHBondContact O-N 2.82Å; I305-N307 PolarHBondContact O-N 2.85Å
308	A	97.3	Very high	95.4	Very high	2 Å²	2	37.1 Å²	37.1	2%	0.017	19%	0.191	C	C	.	.	H	α-helix	trans	-69.1	-34.5	175.1	0	0	0	0	0	112.3	D304 I305 A306 Y369 K372 M373 V376	D304-A308 PolarHBondContact O-N 3.18Å; I305-A308 WeakPolarHBondContact O-CA 3.26Å; I305-A308 WeakPolarHBondContact O-CB 3.46Å; I305-A308 PolarHBondContact O-N 2.66Å; A306-A308 VanDerWaalsContact C-N 3.33Å; A308-Y369 HydrophobicContact CB-CD2 3.68Å; A308-Y369 HydrophobicContact CB-CE2 3.89Å; A308-K372 HydrophobicContact CB-CB 3.82Å; A308-K372 HydrophobicContact CB-CD 4.2Å; A308-K372 PolarHBondContact O-NZ 2.89Å; A308-M373 HydrophobicContact CB-SD 4.12Å; A308-V376 HydrophobicContact CB-CG2 4.41Å
309	T	97.8	Very high	95.1	Very high	5 Å²	5	40 Å²	40	3%	0.031	21%	0.209	C	C	.	.	S	Bend	trans	-58	144.2	-179.9	67.4	0	0	0	0	112.9	Q243 I305 A306 Y369	Q243-T309 HydrophobicContact CB-CG2 4.32Å; I305-T309 WeakPolarHBondContact O-CG2 3.48Å; I305-T309 PolarHBondContact O-N 2.97Å; I305-T309 VanDerWaalsContact O-N 3.09Å; A306-T309 PolarHBondContact O-N 3.31Å; A306-T309 PolarHBondContact O-OG1 3.03Å; T309-Y369 HydrophobicContact CG2-CD2 4.23Å; T309-Y369 HydrophobicContact CG2-CE2 4.22Å
310	S	95.9	Very high	94.8	Very high	10 Å²	10	43.5 Å²	43.5	7%	0.07	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-78.3	138.1	170.8	-64.3	0	0	0	0	110.2	Q243	Q243-S310 PolarHBondContact NE2-O 3.36Å; Q243-S310 VanDerWaalsContact NE2-O 3.11Å
311	P	93.5	Very high	94.7	Very high	20 Å²	20	39 Å²	39	13%	0.13	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-62.3	156.5	173.8	15.3	-18.2	0	0	0	112.6	E313 E314 R315	P311-E313 VanDerWaalsContact C-N 3.26Å; P311-E313 PolarHBondContact O-N 2.75Å; P311-E314 HydrophobicContact CG-CB 4.41Å; P311-E314 HydrophobicContact CG-CG 3.97Å; P311-E314 WeakPolarHBondContact CG-OE1 3Å; P311-E314 PolarHBondContact O-N 3.42Å; P311-R315 WeakPolarHBondContact O-CG 3Å
312	A	91	Very high	94.6	Very high	50 Å²	50	39.4 Å²	39.4	41%	0.413	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-63.5	-32.2	-175.1	0	0	0	0	0	112.6	E314 R315 Q316	A312-E314 VanDerWaalsContact C-N 3.28Å; A312-E314 PolarHBondContact O-N 3.43Å; A312-R315 PolarHBondContact O-N 3.13Å; A312-R315 VanDerWaalsContact O-N 3.17Å; A312-Q316 PolarHBondContact O-NE2 3.15Å
313	E	89.6	Confident	94.5	Very high	83 Å²	83	42.4 Å²	42.4	39%	0.388	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-65.3	-31	178.1	-62.7	75.7	-168.4	0	0	112.4	P311 R315 I661 S662	P311-E313 VanDerWaalsContact C-N 3.26Å; P311-E313 PolarHBondContact O-N 2.75Å; E313-R315 VanDerWaalsContact C-N 3.25Å; E313-R315 PolarHBondContact O-N 2.98Å; E313-I661 HydrophobicContact CB-CG2 4.06Å; E313-I661 HydrophobicContact CG-CB 4.24Å; E313-I661 HydrophobicContact CG-CG2 4.23Å; E313-S662 WeakPolarHBondContact CG-OG 3.33Å; E313-S662 PolarHBondContact OE1-OG 3.46Å
314	E	92	Very high	94.5	Very high	137 Å²	137	45.1 Å²	45.1	64%	0.64	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-82.6	-4.5	178.2	-68.7	176.5	-155.9	0	0	112.6	P311 A312	P311-E314 HydrophobicContact CG-CB 4.41Å; P311-E314 HydrophobicContact CG-CG 3.97Å; P311-E314 WeakPolarHBondContact CG-OE1 3Å; P311-E314 PolarHBondContact O-N 3.42Å; A312-E314 VanDerWaalsContact C-N 3.28Å; A312-E314 PolarHBondContact O-N 3.43Å
315	R	92.8	Very high	94.5	Very high	50 Å²	50	45 Å²	45	19%	0.189	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-114	11.7	-172.3	-67.5	177	55.2	91.5	7.7	114	D242 P311 A312 E313 L321	D242-R315 VanDerWaalsContact CG-NH2 3.32Å; D242-R315 IonicContact OD1-CZ 2.96Å; D242-R315 IonicContact OD1-NH1 3.21Å; D242-R315 PolarHBondContact OD1-NH1 3.28Å; D242-R315 IonicContact OD1-NH2 3.16Å; D242-R315 PolarHBondContact OD1-NH2 2.99Å; D242-R315 VanDerWaalsContact OD1-NH2 3.16Å; D242-R315 IonicContact OD2-CZ 2.7Å; D242-R315 IonicContact OD2-NH1 3.24Å; D242-R315 IonicContact OD2-NH2 3.98Å; D242-R315 PolarHBondContact OD2-NH2 3.32Å; P311-R315 WeakPolarHBondContact O-CG 3Å; A312-R315 PolarHBondContact O-N 3.13Å; A312-R315 VanDerWaalsContact O-N 3.17Å; E313-R315 VanDerWaalsContact C-N 3.25Å; E313-R315 PolarHBondContact O-N 2.98Å; R315-L321 HydrophobicContact CB-CD1 4.1Å; R315-L321 HydrophobicContact CB-CD2 4.46Å; R315-L321 HydrophobicContact CG-CD2 4.24Å; R315-L321 VanDerWaalsContact O-CD1 3.28Å; R315-L321 WeakPolarHBondContact O-CD1 3.41Å
316	Q	88.2	Confident	94.5	Very high	57 Å²	57	46.8 Å²	46.8	27%	0.266	25%	0.249	S	C	.	.			trans	-76.2	-30.6	179.6	-62.3	-59.6	-30.8	0	0	112.8	A312 V318 I661	A312-Q316 PolarHBondContact O-NE2 3.15Å; Q316-V318 PolarHBondContact O-N 3.31Å; Q316-I661 HydrophobicContact CG-CG2 4.34Å
317	D	90.8	Very high	94.5	Very high	62 Å²	62	46.8 Å²	46.8	33%	0.332	25%	0.249	S	C	.	.			trans	-86	92.9	-178.9	-166.7	-21.8	0	0	0	111.7	T319 V320 L321	D317-T319 PolarHBondContact O-N 3.45Å; D317-T319 VanDerWaalsContact O-N 3.13Å; D317-T319 WeakPolarHBondContact OD1-CB 3.29Å; D317-T319 PolarHBondContact OD1-N 3.14Å; D317-T319 PolarHBondContact OD1-OG1 3.01Å; D317-V320 HydrophobicContact CB-CB 4.39Å; D317-V320 HydrophobicContact CB-CG2 4.17Å; D317-V320 PolarHBondContact O-N 2.86Å; D317-V320 VanDerWaalsContact O-N 3.1Å; D317-L321 PolarHBondContact O-N 2.82Å
318	V	91.3	Very high	94.5	Very high	13 Å²	13	44.7 Å²	44.7	8%	0.079	24%	0.244	C	C	.	.	H	α-helix	trans	-56.7	-26.4	177.4	-69.1	0	0	0	0	113.6	Q316 V320 L321 Y322 N612 N615 F616 M622	Q316-V318 PolarHBondContact O-N 3.31Å; V318-V320 VanDerWaalsContact C-N 3.29Å; V318-V320 PolarHBondContact O-N 2.78Å; V318-L321 PolarHBondContact O-N 2.8Å; V318-Y322 WeakPolarHBondContact O-CB 3.23Å; V318-Y322 PolarHBondContact O-N 2.85Å; V318-N612 WeakPolarHBondContact CG1-ND2 3.42Å; V318-N615 HydrophobicContact CG2-CB 4.22Å; V318-F616 HydrophobicContact CG2-CE2 4.12Å; V318-F616 HydrophobicContact CG2-CZ 4.43Å; V318-M622 HydrophobicContact CB-SD 4.32Å; V318-M622 HydrophobicContact CG2-SD 3.95Å
319	T	92.2	Very high	94.5	Very high	60 Å²	60	49.2 Å²	49.2	37%	0.368	26%	0.264	S	S	.	.	H	α-helix	trans	-71.5	-29	-178.8	75.3	0	0	0	0	112	D317 N615 M622	D317-T319 PolarHBondContact O-N 3.45Å; D317-T319 VanDerWaalsContact O-N 3.13Å; D317-T319 WeakPolarHBondContact OD1-CB 3.29Å; D317-T319 PolarHBondContact OD1-N 3.14Å; D317-T319 PolarHBondContact OD1-OG1 3.01Å; T319-N615 HydrophobicContact CG2-CB 4.17Å; T319-M622 HydrophobicContact CG2-CG 4.45Å; T319-M622 HydrophobicContact CG2-SD 3.97Å
320	V	92.9	Very high	94.5	Very high	98 Å²	98	49 Å²	49	59%	0.594	26%	0.263	S	S	*	.	H	α-helix	trans	-83.6	-35.2	175.5	178.1	0	0	0	0	111	D317 V318 Y322 N323	D317-V320 HydrophobicContact CB-CB 4.39Å; D317-V320 HydrophobicContact CB-CG2 4.17Å; D317-V320 PolarHBondContact O-N 2.86Å; D317-V320 VanDerWaalsContact O-N 3.1Å; V318-V320 VanDerWaalsContact C-N 3.29Å; V318-V320 PolarHBondContact O-N 2.78Å; V320-Y322 VanDerWaalsContact C-N 3.34Å; V320-N323 PolarHBondContact O-ND2 3.32Å
321	L	94.6	Very high	94.4	Very high	22 Å²	22	50.7 Å²	50.7	12%	0.115	27%	0.27	C	S	.	.	H	α-helix	trans	-67.9	-33.7	177.1	-64.3	-174.6	0	0	0	112.5	R315 D317 V318 N323 Y365	R315-L321 HydrophobicContact CB-CD1 4.1Å; R315-L321 HydrophobicContact CB-CD2 4.46Å; R315-L321 HydrophobicContact CG-CD2 4.24Å; R315-L321 VanDerWaalsContact O-CD1 3.28Å; R315-L321 WeakPolarHBondContact O-CD1 3.41Å; D317-L321 PolarHBondContact O-N 2.82Å; V318-L321 PolarHBondContact O-N 2.8Å; L321-N323 PolarHBondContact O-N 3.13Å; L321-N323 PolarHBondContact O-ND2 3.41Å; L321-Y365 HydrophobicContact CB-CD1 3.98Å; L321-Y365 HydrophobicContact CB-CE1 4.3Å; L321-Y365 HydrophobicContact CB-CG 4.18Å; L321-Y365 WeakPolarHBondContact O-CA 3.36Å; L321-Y365 WeakPolarHBondContact O-CD1 3.32Å
322	Y	97.3	Very high	94.5	Very high	8 Å²	8	54 Å²	54	3%	0.031	29%	0.294	C	S	.	.			trans	-70.6	99	-176.5	-171.2	-81.8	0	0	0	112.5	D230 D231 R232 V318 V320 K324 V363 Y365 M622	D230-Y322 WeakPolarHBondContact OD1-CE2 3.21Å; D230-Y322 PolarHBondContact OD1-OH 3.46Å; D231-Y322 HydrophobicContact CB-CD2 3.82Å; D231-Y322 HydrophobicContact CB-CE2 3.84Å; D231-Y322 WeakPolarHBondContact OD2-CD2 3.45Å; R232-Y322 VanDerWaalsContact CD-CE1 3.44Å; R232-Y322 HydrophobicContact CG-CD1 4.33Å; R232-Y322 HydrophobicContact CG-CE1 3.82Å; R232-Y322 HydrophobicContact CG-CE2 4.1Å; R232-Y322 VanDerWaalsContact NE-CD1 3.35Å; R232-Y322 VanDerWaalsContact NE-CE1 3.34Å; V318-Y322 WeakPolarHBondContact O-CB 3.23Å; V318-Y322 PolarHBondContact O-N 2.85Å; V320-Y322 VanDerWaalsContact C-N 3.34Å; Y322-K324 HydrophobicContact CD1-CB 4.48Å; Y322-K324 HydrophobicContact CE1-CB 3.67Å; Y322-V363 HydrophobicContact CD2-CG1 3.75Å; Y322-V363 HydrophobicContact CD2-CG2 4.35Å; Y322-V363 HydrophobicContact CE2-CG1 3.97Å; Y322-V363 HydrophobicContact CE2-CG2 3.71Å; Y322-V363 HydrophobicContact CG-CG1 4.18Å; Y322-Y365 HydrophobicContact CD2-CE1 4.34Å; Y322-M622 HydrophobicContact CD1-CE 4.15Å; Y322-M622 HydrophobicContact CD2-CE 3.88Å; Y322-M622 HydrophobicContact CG-CE 3.62Å
323	N	97.4	Very high	94.6	Very high	62 Å²	62	55.5 Å²	55.5	33%	0.332	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	92.7	173.9	-59.9	-87.5	0	0	0	110.2	V320 L321 M325 V364	V320-N323 PolarHBondContact O-ND2 3.32Å; L321-N323 PolarHBondContact O-N 3.13Å; L321-N323 PolarHBondContact O-ND2 3.41Å; N323-M325 HydrophobicContact CB-CE 4.31Å; N323-V364 HydrophobicContact CB-CB 4.45Å; N323-V364 WeakPolarHBondContact CB-O 3.33Å; N323-V364 PolarHBondContact N-O 2.94Å; N323-V364 PolarHBondContact ND2-O 3.39Å; N323-V364 PolarHBondContact O-N 3.5Å
324	K	98	Very high	94.8	Very high	90 Å²	90	52.4 Å²	52.4	39%	0.391	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	131	176.3	-172.3	170.4	67	154.2	0	111.1	I238 Y322 E361 V362 V363	I238-K324 HydrophobicContact CD1-CD 3.95Å; I238-K324 HydrophobicContact CD1-CG 4.39Å; Y322-K324 HydrophobicContact CD1-CB 4.48Å; Y322-K324 HydrophobicContact CE1-CB 3.67Å; K324-E361 HydrophobicContact CD-CB 4.37Å; K324-E361 WeakPolarHBondContact CE-OE1 3.42Å; K324-E361 IonicContact NZ-OE1 3.58Å; K324-E361 PolarHBondContact NZ-OE1 3.11Å; K324-E361 IonicContact NZ-OE2 3.59Å; K324-V362 WeakPolarHBondContact CA-O 3.43Å; K324-V363 HydrophobicContact CB-CG2 4.35Å; K324-V363 HydrophobicContact CG-CG2 4.45Å
325	M	98.1	Very high	94.2	Very high	27 Å²	27	49.1 Å²	49.1	13%	0.133	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	169.9	176.6	64	-171.7	71.5	0	0	110.4	N323 E329 L330 Y334 V362 V364	N323-M325 HydrophobicContact CB-CE 4.31Å; M325-E329 HydrophobicContact CB-CB 4.01Å; M325-L330 HydrophobicContact CG-CB 4.36Å; M325-L330 HydrophobicContact SD-CB 4.03Å; M325-L330 HydrophobicContact SD-CD1 3.94Å; M325-Y334 HydrophobicContact CE-CE2 4.04Å; M325-Y334 HydrophobicContact SD-CE2 4.09Å; M325-V362 HydrophobicContact CG-CG2 3.84Å; M325-V362 PolarHBondContact N-O 3.3Å; M325-V362 WeakPolarHBondContact O-CG2 3.47Å; M325-V362 PolarHBondContact O-N 3.5Å; M325-V362 VanDerWaalsContact O-O 3.1Å; M325-V364 HydrophobicContact CE-CB 4.08Å; M325-V364 HydrophobicContact CE-CG2 3.77Å; M325-V364 HydrophobicContact CG-CG2 4.3Å; M325-V364 HydrophobicContact SD-CG2 3.9Å
326	T	98.5	Very high	93.5	Very high	37 Å²	37	47 Å²	47	23%	0.227	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	159.6	171.1	60.1	0	0	0	0	111.4	A328 E329 L330 E360	T326-A328 PolarHBondContact O-N 3.1Å; T326-E329 PolarHBondContact N-OE2 3.39Å; T326-E329 PolarHBondContact O-N 2.97Å; T326-E329 VanDerWaalsContact O-N 3.1Å; T326-E329 WeakPolarHBondContact OG1-CB 3.36Å; T326-E329 VanDerWaalsContact OG1-CD 3.25Å; T326-E329 VanDerWaalsContact OG1-CG 3.22Å; T326-E329 WeakPolarHBondContact OG1-CG 3.43Å; T326-E329 PolarHBondContact OG1-N 2.92Å; T326-E329 PolarHBondContact OG1-OE2 2.88Å; T326-L330 PolarHBondContact O-N 3.48Å; T326-E360 CarbonylContact C-O 3.42Å; T326-E360 VanDerWaalsContact CA-O 3.3Å; T326-E360 WeakPolarHBondContact CA-O 3.32Å
327	L	97.8	Very high	92.9	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-58.6	-34.8	173.1	179.8	55.5	0	0	0	112.5	L330 Q331 W341 T342 I345 I356 L358 E360	L327-L330 HydrophobicContact CD1-CD2 4.05Å; L327-Q331 WeakPolarHBondContact O-CB 3.35Å; L327-Q331 PolarHBondContact O-N 3.11Å; L327-W341 HydrophobicContact CD1-CB 3.91Å; L327-T342 HydrophobicContact CD2-CG2 4.4Å; L327-I345 HydrophobicContact CD1-CD1 3.68Å; L327-I356 HydrophobicContact CD2-CD1 3.76Å; L327-I356 HydrophobicContact CD2-CG1 4.37Å; L327-L358 PolarHBondContact N-O 2.99Å; L327-E360 HydrophobicContact CB-CB 4.27Å; L327-E360 PolarHBondContact N-O 3.07Å
328	A	97.5	Very high	92.5	Very high	44 Å²	44	49.2 Å²	49.2	36%	0.364	29%	0.294	S	S	.	.	H	α-helix	trans	-61.8	-46.6	172.5	0	0	0	0	0	112	T326 Q331 S332 L358	T326-A328 PolarHBondContact O-N 3.1Å; A328-Q331 PolarHBondContact O-N 3.19Å; A328-S332 PolarHBondContact O-N 2.97Å; A328-S332 PolarHBondContact O-OG 3.17Å; A328-L358 HydrophobicContact CB-CB 4.24Å; A328-L358 WeakPolarHBondContact CB-O 3.34Å; A328-L358 PolarHBondContact N-O 3.19Å
329	E	97.8	Very high	92.6	Very high	97 Å²	97	49 Å²	49	45%	0.453	29%	0.292	S	S	.	.	H	α-helix	trans	-64.8	-43.2	177.8	-74.1	163.1	153	0	0	111.1	M325 T326 Q331 S332 T333	M325-E329 HydrophobicContact CB-CB 4.01Å; T326-E329 PolarHBondContact N-OE2 3.39Å; T326-E329 PolarHBondContact O-N 2.97Å; T326-E329 VanDerWaalsContact O-N 3.1Å; T326-E329 WeakPolarHBondContact OG1-CB 3.36Å; T326-E329 VanDerWaalsContact OG1-CD 3.25Å; T326-E329 VanDerWaalsContact OG1-CG 3.22Å; T326-E329 WeakPolarHBondContact OG1-CG 3.43Å; T326-E329 PolarHBondContact OG1-N 2.92Å; T326-E329 PolarHBondContact OG1-OE2 2.88Å; E329-Q331 VanDerWaalsContact C-N 3.33Å; E329-Q331 PolarHBondContact O-N 3.49Å; E329-S332 WeakPolarHBondContact CA-OG 3.32Å; E329-S332 PolarHBondContact O-N 3.13Å; E329-S332 VanDerWaalsContact O-N 3.15Å; E329-S332 PolarHBondContact O-OG 3.46Å; E329-T333 VanDerWaalsContact O-CB 3.29Å; E329-T333 WeakPolarHBondContact O-CB 3.18Å; E329-T333 PolarHBondContact O-N 2.92Å; E329-T333 PolarHBondContact O-OG1 3.31Å
330	L	96.5	Very high	92.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-54.3	-49.7	174.3	-177.2	76.9	0	0	0	111	M325 T326 L327 S332 T333 Y334 W341 I345 V362 V364	M325-L330 HydrophobicContact CG-CB 4.36Å; M325-L330 HydrophobicContact SD-CB 4.03Å; M325-L330 HydrophobicContact SD-CD1 3.94Å; T326-L330 PolarHBondContact O-N 3.48Å; L327-L330 HydrophobicContact CD1-CD2 4.05Å; L330-S332 VanDerWaalsContact C-N 3.31Å; L330-S332 PolarHBondContact O-N 3.17Å; L330-T333 PolarHBondContact O-N 2.8Å; L330-Y334 HydrophobicContact CD1-CD2 3.71Å; L330-Y334 HydrophobicContact CD1-CE2 4.21Å; L330-Y334 PolarHBondContact O-N 2.94Å; L330-W341 HydrophobicContact CD2-CB 4.08Å; L330-W341 HydrophobicContact CD2-CD2 3.49Å; L330-W341 VanDerWaalsContact CD2-CD2 3.49Å; L330-W341 HydrophobicContact CD2-CE3 3.5Å; L330-W341 HydrophobicContact CD2-CG 3.78Å; L330-W341 HydrophobicContact CD2-CZ3 4.12Å; L330-W341 HydrophobicContact CG-CD2 3.91Å; L330-W341 HydrophobicContact CG-CE3 4.33Å; L330-W341 HydrophobicContact CG-CG 4.08Å; L330-I345 HydrophobicContact CD2-CD1 4.35Å; L330-V362 HydrophobicContact CB-CG2 4.35Å; L330-V362 HydrophobicContact CD2-CG2 4.28Å; L330-V364 HydrophobicContact CD1-CG2 3.51Å
331	Q	95.5	Very high	92.9	Very high	46 Å²	46	44.6 Å²	44.6	22%	0.215	26%	0.263	C	S	.	.	H	α-helix	trans	-61.8	-39	179.1	-175.9	65.6	74.3	0	0	112.5	L327 A328 E329 F339	L327-Q331 WeakPolarHBondContact O-CB 3.35Å; L327-Q331 PolarHBondContact O-N 3.11Å; A328-Q331 PolarHBondContact O-N 3.19Å; E329-Q331 VanDerWaalsContact C-N 3.33Å; E329-Q331 PolarHBondContact O-N 3.49Å; Q331-F339 PolarHBondContact NE2-O 3.1Å
332	S	94.3	Very high	93	Very high	91 Å²	91	44.9 Å²	44.9	64%	0.636	27%	0.266	S	S	*	.	H	α-helix	trans	-75.9	-31.6	-179.9	71.9	0	0	0	0	113.3	A328 E329 L330	A328-S332 PolarHBondContact O-N 2.97Å; A328-S332 PolarHBondContact O-OG 3.17Å; E329-S332 WeakPolarHBondContact CA-OG 3.32Å; E329-S332 PolarHBondContact O-N 3.13Å; E329-S332 VanDerWaalsContact O-N 3.15Å; E329-S332 PolarHBondContact O-OG 3.46Å; L330-S332 VanDerWaalsContact C-N 3.31Å; L330-S332 PolarHBondContact O-N 3.17Å
333	T	94.6	Very high	92.9	Very high	81 Å²	81	50.2 Å²	50.2	50%	0.497	29%	0.286	S	S	.	.	H	α-helix	trans	-84.4	-43.4	-175.5	-53.5	0	0	0	0	111.4	E329 L330	E329-T333 VanDerWaalsContact O-CB 3.29Å; E329-T333 WeakPolarHBondContact O-CB 3.18Å; E329-T333 PolarHBondContact O-N 2.92Å; E329-T333 PolarHBondContact O-OG1 3.31Å; L330-T333 PolarHBondContact O-N 2.8Å
334	Y	93.3	Very high	92.9	Very high	17 Å²	17	47.2 Å²	47.2	7%	0.067	27%	0.27	C	S	.	.			trans	-117.5	63	-174.5	-53.5	-68.8	0	0	0	112.2	M325 L330 F336 W341 V364 S367 L370 E371	M325-Y334 HydrophobicContact CE-CE2 4.04Å; M325-Y334 HydrophobicContact SD-CE2 4.09Å; L330-Y334 HydrophobicContact CD1-CD2 3.71Å; L330-Y334 HydrophobicContact CD1-CE2 4.21Å; L330-Y334 PolarHBondContact O-N 2.94Å; Y334-F336 VanDerWaalsContact C-N 3.32Å; Y334-F336 PolarHBondContact O-N 3.03Å; Y334-W341 PolarHBondContact O-NE1 3.17Å; Y334-V364 HydrophobicContact CE2-CG1 4.33Å; Y334-S367 WeakPolarHBondContact OH-CB 3.43Å; Y334-S367 PolarHBondContact OH-OG 2.96Å; Y334-L370 HydrophobicContact CD1-CB 3.55Å; Y334-L370 HydrophobicContact CD1-CD1 4.36Å; Y334-L370 HydrophobicContact CD2-CD1 3.86Å; Y334-L370 HydrophobicContact CE1-CB 3.97Å; Y334-L370 HydrophobicContact CE2-CD1 4.13Å; Y334-L370 HydrophobicContact CG-CB 3.87Å; Y334-L370 HydrophobicContact CG-CD1 3.97Å; Y334-E371 HydrophobicContact CD1-CG 4.41Å; Y334-E371 HydrophobicContact CE1-CG 3.95Å
335	S	79.9	Confident	92.9	Very high	69 Å²	69	43 Å²	43	48%	0.483	25%	0.252	S	S	.	.			trans	-87.8	60.2	177.1	174.8	0	0	0	0	111.9	N337	S335-N337 PolarHBondContact O-N 3.42Å
336	F	77.9	Confident	92.8	Very high	4 Å²	4	45 Å²	45	2%	0.018	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-73.7	121.6	177.1	44.4	-102.7	0	0	0	112.5	L223 Y334 G338 F339 W341 L370 M373 N374 L377	L223-F336 HydrophobicContact CD1-CZ 4.4Å; L223-F336 HydrophobicContact CD2-CZ 4.22Å; Y334-F336 VanDerWaalsContact C-N 3.32Å; Y334-F336 PolarHBondContact O-N 3.03Å; F336-G338 PolarHBondContact O-N 2.76Å; F336-G338 VanDerWaalsContact O-N 3.11Å; F336-F339 HydrophobicContact CD2-CB 4Å; F336-F339 HydrophobicContact CD2-CG 4.48Å; F336-F339 HydrophobicContact CE2-CB 4.09Å; F336-F339 HydrophobicContact CE2-CD1 4.38Å; F336-F339 HydrophobicContact CE2-CD2 4.48Å; F336-F339 HydrophobicContact CE2-CG 4.08Å; F336-F339 VanDerWaalsContact O-CB 3.28Å; F336-F339 WeakPolarHBondContact O-CB 3.45Å; F336-F339 PolarHBondContact O-N 3.46Å; F336-W341 HydrophobicContact CE1-CH2 4.48Å; F336-W341 AromaticContact CE1-CZ2 3.74Å; F336-W341 HydrophobicContact CE1-CZ2 3.74Å; F336-W341 HydrophobicContact CZ-CH2 4.19Å; F336-W341 AromaticContact CZ-CZ2 3.72Å; F336-W341 HydrophobicContact CZ-CZ2 3.72Å; F336-L370 WeakPolarHBondContact CD1-O 3.48Å; F336-L370 HydrophobicContact CE1-CB 4.18Å; F336-L370 HydrophobicContact CE1-CD2 3.94Å; F336-L370 HydrophobicContact CZ-CD2 4.29Å; F336-M373 HydrophobicContact CD1-CB 4.07Å; F336-M373 HydrophobicContact CE1-CB 4.12Å; F336-M373 HydrophobicContact CG-CB 4.27Å; F336-M373 HydrophobicContact CZ-CB 4.34Å; F336-N374 WeakPolarHBondContact CA-OD1 3.46Å; F336-N374 HydrophobicContact CB-CB 3.47Å; F336-N374 VanDerWaalsContact CB-CB 3.47Å; F336-L377 HydrophobicContact CD2-CD1 3.33Å; F336-L377 HydrophobicContact CE2-CD1 3.55Å; F336-L377 HydrophobicContact CG-CD1 4.35Å
337	N	75	Confident	92.7	Very high	110 Å²	110	44.4 Å²	44.4	59%	0.588	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	50.4	32.5	179.3	-159.4	25.5	0	0	0	115.1	S335 F339 N374	S335-N337 PolarHBondContact O-N 3.42Å; N337-F339 VanDerWaalsContact C-N 3.3Å; N337-F339 PolarHBondContact O-N 2.97Å; N337-N374 PolarHBondContact N-OD1 2.93Å
338	G	82.7	Confident	92.7	Very high	57 Å²	57	44.3 Å²	44.3	59%	0.588	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	72.6	15.7	-179.3	0	0	0	0	0	115.3	F336 N340	F336-G338 PolarHBondContact O-N 2.76Å; F336-G338 VanDerWaalsContact O-N 3.11Å; G338-N340 PolarHBondContact O-N 3.01Å
339	F	92.9	Very high	92.7	Very high	7 Å²	7	42.2 Å²	42.2	3%	0.031	24%	0.243	C	C	.	.			trans	-54.9	126.1	177.9	-173.6	-95.8	0	0	0	111.8	L206 E207 L210 L223 Q331 F336 N337 W341 F344	L206-F339 HydrophobicContact CD2-CD2 4.14Å; L206-F339 HydrophobicContact CD2-CE2 4.21Å; L206-F339 HydrophobicContact CG-CD2 4.4Å; L206-F339 HydrophobicContact CG-CE2 4.09Å; E207-F339 HydrophobicContact CB-CE2 4.4Å; E207-F339 HydrophobicContact CG-CD2 3.86Å; E207-F339 HydrophobicContact CG-CE2 3.69Å; E207-F339 HydrophobicContact CG-CG 4.41Å; E207-F339 HydrophobicContact CG-CZ 4.08Å; L210-F339 HydrophobicContact CD1-CE2 4.02Å; L210-F339 HydrophobicContact CD1-CZ 4.19Å; L223-F339 HydrophobicContact CD1-CE1 3.97Å; L223-F339 HydrophobicContact CD1-CZ 3.82Å; Q331-F339 PolarHBondContact NE2-O 3.1Å; F336-F339 HydrophobicContact CD2-CB 4Å; F336-F339 HydrophobicContact CD2-CG 4.48Å; F336-F339 HydrophobicContact CE2-CB 4.09Å; F336-F339 HydrophobicContact CE2-CD1 4.38Å; F336-F339 HydrophobicContact CE2-CD2 4.48Å; F336-F339 HydrophobicContact CE2-CG 4.08Å; F336-F339 VanDerWaalsContact O-CB 3.28Å; F336-F339 WeakPolarHBondContact O-CB 3.45Å; F336-F339 PolarHBondContact O-N 3.46Å; N337-F339 VanDerWaalsContact C-N 3.3Å; N337-F339 PolarHBondContact O-N 2.97Å; F339-W341 AromaticContact CD1-CD2 3.92Å; F339-W341 HydrophobicContact CD1-CD2 3.92Å; F339-W341 AromaticContact CD1-CE2 3.94Å; F339-W341 HydrophobicContact CD1-CE3 4.38Å; F339-W341 HydrophobicContact CD1-CG 4.1Å; F339-W341 HydrophobicContact CD1-CZ2 4.46Å; F339-W341 AromaticContact CE1-CD2 3.86Å; F339-W341 HydrophobicContact CE1-CD2 3.86Å; F339-W341 AromaticContact CE1-CE3 3.86Å; F339-W341 HydrophobicContact CE1-CE3 3.86Å; F339-W341 HydrophobicContact CE1-CG 4.29Å; F339-W341 HydrophobicContact CE1-CZ3 4.23Å; F339-W341 PolarHBondContact O-N 3.33Å; F339-F344 HydrophobicContact CE1-CB 3.99Å; F339-F344 HydrophobicContact CE1-CD1 4.11Å; F339-F344 HydrophobicContact CE1-CG 4.25Å; F339-F344 HydrophobicContact CZ-CB 3.74Å; F339-F344 HydrophobicContact CZ-CD1 4.01Å; F339-F344 AromaticContact CZ-CG 3.83Å; F339-F344 HydrophobicContact CZ-CG 3.83Å
340	N	95.1	Very high	92.7	Very high	67 Å²	67	41.1 Å²	41.1	36%	0.358	25%	0.246	S	C	.	.			trans	-94.1	94.4	-179	-170.4	-32.5	0	0	0	111.2	E207 G338 T342 R343 F344	E207-N340 HydrophobicContact CG-CB 4.26Å; E207-N340 PolarHBondContact OE1-N 3.02Å; G338-N340 PolarHBondContact O-N 3.01Å; N340-T342 VanDerWaalsContact C-N 3.25Å; N340-T342 PolarHBondContact O-N 3.38Å; N340-T342 WeakPolarHBondContact OD1-CB 3.33Å; N340-T342 PolarHBondContact OD1-N 3.44Å; N340-T342 VanDerWaalsContact OD1-N 3.14Å; N340-R343 HydrophobicContact CB-CB 3.9Å; N340-R343 PolarHBondContact O-N 3.24Å; N340-R343 VanDerWaalsContact O-N 3.15Å; N340-R343 PolarHBondContact OD1-N 2.86Å; N340-F344 PolarHBondContact O-N 3.09Å
341	W	96.4	Very high	92.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-56.6	-40	177.2	-71	98	0	0	0	112.3	L223 I241 L327 L330 Y334 F336 F339 R343 F344 I345 L370	L223-W341 HydrophobicContact CD1-CH2 3.74Å; L223-W341 HydrophobicContact CD1-CZ3 3.77Å; L223-W341 HydrophobicContact CD2-CH2 3.85Å; L223-W341 HydrophobicContact CD2-CZ3 4.48Å; L223-W341 HydrophobicContact CG-CH2 4.45Å; I241-W341 HydrophobicContact CD1-CZ3 4.12Å; I241-W341 HydrophobicContact CG1-CZ3 4.46Å; I241-W341 HydrophobicContact CG2-CH2 3.89Å; I241-W341 HydrophobicContact CG2-CZ3 3.9Å; L327-W341 HydrophobicContact CD1-CB 3.91Å; L330-W341 HydrophobicContact CD2-CB 4.08Å; L330-W341 HydrophobicContact CD2-CD2 3.49Å; L330-W341 VanDerWaalsContact CD2-CD2 3.49Å; L330-W341 HydrophobicContact CD2-CE3 3.5Å; L330-W341 HydrophobicContact CD2-CG 3.78Å; L330-W341 HydrophobicContact CD2-CZ3 4.12Å; L330-W341 HydrophobicContact CG-CD2 3.91Å; L330-W341 HydrophobicContact CG-CE3 4.33Å; L330-W341 HydrophobicContact CG-CG 4.08Å; Y334-W341 PolarHBondContact O-NE1 3.17Å; F336-W341 HydrophobicContact CE1-CH2 4.48Å; F336-W341 AromaticContact CE1-CZ2 3.74Å; F336-W341 HydrophobicContact CE1-CZ2 3.74Å; F336-W341 HydrophobicContact CZ-CH2 4.19Å; F336-W341 AromaticContact CZ-CZ2 3.72Å; F336-W341 HydrophobicContact CZ-CZ2 3.72Å; F339-W341 AromaticContact CD1-CD2 3.92Å; F339-W341 HydrophobicContact CD1-CD2 3.92Å; F339-W341 AromaticContact CD1-CE2 3.94Å; F339-W341 HydrophobicContact CD1-CE3 4.38Å; F339-W341 HydrophobicContact CD1-CG 4.1Å; F339-W341 HydrophobicContact CD1-CZ2 4.46Å; F339-W341 AromaticContact CE1-CD2 3.86Å; F339-W341 HydrophobicContact CE1-CD2 3.86Å; F339-W341 AromaticContact CE1-CE3 3.86Å; F339-W341 HydrophobicContact CE1-CE3 3.86Å; F339-W341 HydrophobicContact CE1-CG 4.29Å; F339-W341 HydrophobicContact CE1-CZ3 4.23Å; F339-W341 PolarHBondContact O-N 3.33Å; W341-R343 VanDerWaalsContact C-N 3.35Å; W341-R343 PolarHBondContact O-N 3.23Å; W341-F344 HydrophobicContact CE3-CD1 4.27Å; W341-F344 HydrophobicContact CZ3-CD1 4.48Å; W341-F344 PolarHBondContact O-N 3.1Å; W341-I345 VanDerWaalsContact O-CG1 3.3Å; W341-I345 WeakPolarHBondContact O-CG1 3.44Å; W341-I345 PolarHBondContact O-N 3.26Å; W341-L370 HydrophobicContact CH2-CD1 4.22Å; W341-L370 HydrophobicContact CH2-CD2 4.07Å; W341-L370 HydrophobicContact CZ2-CD1 4.28Å; W341-L370 HydrophobicContact CZ2-CD2 4.35Å
342	T	95.8	Very high	92.7	Very high	27 Å²	27	42.1 Å²	42.1	17%	0.166	26%	0.255	C	S	.	.	H	α-helix	trans	-63.5	-42.6	179.3	-59.7	0	0	0	0	111.3	L327 N340 K346 L358	L327-T342 HydrophobicContact CD2-CG2 4.4Å; N340-T342 VanDerWaalsContact C-N 3.25Å; N340-T342 PolarHBondContact O-N 3.38Å; N340-T342 WeakPolarHBondContact OD1-CB 3.33Å; N340-T342 PolarHBondContact OD1-N 3.44Å; N340-T342 VanDerWaalsContact OD1-N 3.14Å; T342-K346 HydrophobicContact CG2-CD 3.9Å; T342-K346 HydrophobicContact CG2-CG 4.32Å; T342-K346 WeakPolarHBondContact O-CB 3.49Å; T342-K346 VanDerWaalsContact O-CG 3.23Å; T342-K346 WeakPolarHBondContact O-CG 3.3Å; T342-K346 PolarHBondContact O-N 3.45Å; T342-L358 HydrophobicContact CG2-CD2 4.32Å; T342-L358 WeakPolarHBondContact OG1-CD2 3.46Å
343	R	95.9	Very high	92.8	Very high	120 Å²	120	43.4 Å²	43.4	45%	0.453	26%	0.264	S	S	.	.	H	α-helix	trans	-62.6	-47.6	175.8	-177.6	178.8	-175.8	159.7	4.6	111.2	E207 D208 N340 W341 G347	E207-R343 HydrophobicContact CB-CB 4.39Å; E207-R343 HydrophobicContact CB-CG 4.13Å; D208-R343 IonicContact OD1-CZ 2.82Å; D208-R343 IonicContact OD1-NE 2.86Å; D208-R343 PolarHBondContact OD1-NE 2.87Å; D208-R343 IonicContact OD1-NH2 3.66Å; D208-R343 IonicContact OD2-CZ 2.81Å; D208-R343 VanDerWaalsContact OD2-CZ 3.29Å; D208-R343 IonicContact OD2-NE 2.74Å; D208-R343 PolarHBondContact OD2-NE 3.1Å; D208-R343 IonicContact OD2-NH2 3.29Å; D208-R343 PolarHBondContact OD2-NH2 3.38Å; N340-R343 HydrophobicContact CB-CB 3.9Å; N340-R343 PolarHBondContact O-N 3.24Å; N340-R343 VanDerWaalsContact O-N 3.15Å; N340-R343 PolarHBondContact OD1-N 2.86Å; W341-R343 VanDerWaalsContact C-N 3.35Å; W341-R343 PolarHBondContact O-N 3.23Å; R343-G347 PolarHBondContact O-N 2.79Å
344	F	97.1	Very high	92.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-59.7	-56	179.3	168.3	-123.8	0	0	0	112	E207 L210 A211 L223 L225 F339 N340 W341 K346 G347 V348	E207-F344 HydrophobicContact CB-CB 4.17Å; E207-F344 HydrophobicContact CG-CB 4.42Å; L210-F344 HydrophobicContact CB-CD2 3.88Å; L210-F344 HydrophobicContact CB-CE2 3.61Å; L210-F344 HydrophobicContact CB-CZ 4.46Å; A211-F344 HydrophobicContact CB-CD2 3.98Å; A211-F344 HydrophobicContact CB-CE2 4.39Å; L223-F344 HydrophobicContact CD1-CE1 4.33Å; L225-F344 HydrophobicContact CB-CE1 4.03Å; L225-F344 HydrophobicContact CB-CZ 3.95Å; L225-F344 HydrophobicContact CD1-CD1 4.22Å; L225-F344 HydrophobicContact CD1-CE1 3.52Å; L225-F344 HydrophobicContact CD1-CZ 3.93Å; L225-F344 HydrophobicContact CG-CE1 4.45Å; F339-F344 HydrophobicContact CE1-CB 3.99Å; F339-F344 HydrophobicContact CE1-CD1 4.11Å; F339-F344 HydrophobicContact CE1-CG 4.25Å; F339-F344 HydrophobicContact CZ-CB 3.74Å; F339-F344 HydrophobicContact CZ-CD1 4.01Å; F339-F344 AromaticContact CZ-CG 3.83Å; F339-F344 HydrophobicContact CZ-CG 3.83Å; N340-F344 PolarHBondContact O-N 3.09Å; W341-F344 HydrophobicContact CE3-CD1 4.27Å; W341-F344 HydrophobicContact CZ3-CD1 4.48Å; W341-F344 PolarHBondContact O-N 3.1Å; F344-K346 PolarHBondContact O-N 3.49Å; F344-G347 WeakPolarHBondContact O-CA 3.21Å; F344-G347 PolarHBondContact O-N 3.12Å; F344-G347 VanDerWaalsContact O-N 3.13Å; F344-V348 HydrophobicContact CD2-CG2 4.19Å; F344-V348 HydrophobicContact CE2-CG2 3.78Å; F344-V348 HydrophobicContact CZ-CG2 4.25Å; F344-V348 WeakPolarHBondContact O-CG2 3.43Å; F344-V348 PolarHBondContact O-N 3.22Å
345	I	97.9	Very high	93	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-67.5	-38.8	-175.5	-54.5	-176.9	0	0	0	110.9	L225 I239 L327 L330 W341 G347 V348 L349 I356	L225-I345 HydrophobicContact CD1-CB 4.33Å; L225-I345 HydrophobicContact CD1-CD1 4.28Å; L225-I345 HydrophobicContact CD1-CG1 3.7Å; L225-I345 HydrophobicContact CD1-CG2 4.18Å; I239-I345 HydrophobicContact CD1-CG2 3.86Å; L327-I345 HydrophobicContact CD1-CD1 3.68Å; L330-I345 HydrophobicContact CD2-CD1 4.35Å; W341-I345 VanDerWaalsContact O-CG1 3.3Å; W341-I345 WeakPolarHBondContact O-CG1 3.44Å; W341-I345 PolarHBondContact O-N 3.26Å; I345-G347 VanDerWaalsContact C-N 3.34Å; I345-G347 PolarHBondContact O-N 2.85Å; I345-V348 PolarHBondContact O-N 3.45Å; I345-L349 HydrophobicContact CG2-CD1 3.8Å; I345-L349 HydrophobicContact CG2-CG 4.34Å; I345-L349 PolarHBondContact O-N 2.85Å; I345-I356 HydrophobicContact CB-CD1 3.62Å; I345-I356 HydrophobicContact CG2-CD1 3.35Å
346	K	96.9	Very high	93.7	Very high	70 Å²	70	41.6 Å²	41.6	30%	0.304	25%	0.247	S	C	.	.	H	α-helix	trans	-61.4	-42.2	171.4	-77	-172.7	178.4	-144.3	0	112	T342 F344 V348 L349 S350 D355 I356	T342-K346 HydrophobicContact CG2-CD 3.9Å; T342-K346 HydrophobicContact CG2-CG 4.32Å; T342-K346 WeakPolarHBondContact O-CB 3.49Å; T342-K346 VanDerWaalsContact O-CG 3.23Å; T342-K346 WeakPolarHBondContact O-CG 3.3Å; T342-K346 PolarHBondContact O-N 3.45Å; F344-K346 PolarHBondContact O-N 3.49Å; K346-V348 VanDerWaalsContact C-N 3.28Å; K346-V348 PolarHBondContact O-N 3.1Å; K346-L349 PolarHBondContact O-N 3.46Å; K346-S350 WeakPolarHBondContact O-CB 3.45Å; K346-S350 PolarHBondContact O-N 3.24Å; K346-S350 PolarHBondContact O-OG 2.88Å; K346-D355 IonicContact NZ-OD1 3.2Å; K346-D355 PolarHBondContact NZ-OD1 2.84Å; K346-I356 HydrophobicContact CD-CG1 4.33Å; K346-I356 WeakPolarHBondContact CE-O 3.46Å; K346-I356 HydrophobicContact CG-CD1 3.8Å; K346-I356 HydrophobicContact CG-CG1 3.47Å; K346-I356 VanDerWaalsContact CG-CG1 3.47Å; K346-I356 PolarHBondContact NZ-O 3.44Å
347	G	96.8	Very high	94.5	Very high	23 Å²	23	46.4 Å²	46.4	24%	0.237	27%	0.269	C	S	.	.	H	α-helix	trans	-55.5	-45.8	175.7	0	0	0	0	0	111.5	R343 F344 I345 S350	R343-G347 PolarHBondContact O-N 2.79Å; F344-G347 WeakPolarHBondContact O-CA 3.21Å; F344-G347 PolarHBondContact O-N 3.12Å; F344-G347 VanDerWaalsContact O-N 3.13Å; I345-G347 VanDerWaalsContact C-N 3.34Å; I345-G347 PolarHBondContact O-N 2.85Å; G347-S350 PolarHBondContact O-OG 2.85Å
348	V	97.6	Very high	95.5	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-64.3	-56.2	177.2	176.8	0	0	0	0	111.6	A211 T214 A215 L225 F344 I345 K346 S350 T351 L542	A211-V348 HydrophobicContact CB-CG2 3.88Å; T214-V348 HydrophobicContact CG2-CG1 4Å; T214-V348 HydrophobicContact CG2-CG2 4.13Å; A215-V348 HydrophobicContact CB-CG1 4.3Å; L225-V348 HydrophobicContact CD2-CG1 4.13Å; F344-V348 HydrophobicContact CD2-CG2 4.19Å; F344-V348 HydrophobicContact CE2-CG2 3.78Å; F344-V348 HydrophobicContact CZ-CG2 4.25Å; F344-V348 WeakPolarHBondContact O-CG2 3.43Å; F344-V348 PolarHBondContact O-N 3.22Å; I345-V348 PolarHBondContact O-N 3.45Å; K346-V348 VanDerWaalsContact C-N 3.28Å; K346-V348 PolarHBondContact O-N 3.1Å; V348-S350 PolarHBondContact O-N 3.35Å; V348-T351 PolarHBondContact O-N 3.38Å; V348-T351 PolarHBondContact O-OG1 3.37Å; V348-L542 HydrophobicContact CG1-CD1 3.57Å; V348-L542 HydrophobicContact CG1-CD2 3.62Å; V348-L542 HydrophobicContact CG1-CG 4.25Å
349	L	97.8	Very high	96.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-75.7	-22	-169.9	-69.3	176.7	0	0	0	114.3	I239 I345 K346 T351 V352 S353 I354 I356 L542 L545	I239-L349 HydrophobicContact CD1-CD1 3.8Å; I345-L349 HydrophobicContact CG2-CD1 3.8Å; I345-L349 HydrophobicContact CG2-CG 4.34Å; I345-L349 PolarHBondContact O-N 2.85Å; K346-L349 PolarHBondContact O-N 3.46Å; L349-T351 PolarHBondContact O-N 3.44Å; L349-T351 VanDerWaalsContact O-N 3.16Å; L349-V352 HydrophobicContact CD2-CG2 4.46Å; L349-V352 WeakPolarHBondContact O-CG2 3.37Å; L349-V352 PolarHBondContact O-N 3.14Å; L349-S353 PolarHBondContact O-N 2.77Å; L349-I354 CarbonylContact C-O 3.47Å; L349-I354 HydrophobicContact CB-CB 4.21Å; L349-I354 HydrophobicContact CB-CG2 4.47Å; L349-I354 HydrophobicContact CD1-CG2 4.39Å; L349-I354 PolarHBondContact O-N 2.87Å; L349-I356 HydrophobicContact CD1-CD1 4.38Å; L349-I356 HydrophobicContact CD1-CG2 3.42Å; L349-I356 VanDerWaalsContact CD1-CG2 3.42Å; L349-L542 HydrophobicContact CD2-CB 4.34Å; L349-L542 HydrophobicContact CD2-CD2 4.04Å; L349-L545 HydrophobicContact CD1-CD2 3.62Å; L349-L545 HydrophobicContact CD2-CD2 3.89Å; L349-L545 HydrophobicContact CG-CD2 4.44Å
350	S	96	Very high	96.5	Very high	74 Å²	74	49.7 Å²	49.7	52%	0.517	27%	0.272	S	S	.	.	H	α-helix	trans	-59.3	-27.6	174.3	68.5	0	0	0	0	112.7	K346 G347 V348 V352 S353	K346-S350 WeakPolarHBondContact O-CB 3.45Å; K346-S350 PolarHBondContact O-N 3.24Å; K346-S350 PolarHBondContact O-OG 2.88Å; G347-S350 PolarHBondContact O-OG 2.85Å; V348-S350 PolarHBondContact O-N 3.35Å; S350-V352 PolarHBondContact O-N 3.16Å; S350-S353 PolarHBondContact O-N 3.34Å
351	T	95.6	Very high	96.6	Very high	49 Å²	49	49.6 Å²	49.6	30%	0.301	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-17.3	177.9	68	0	0	0	0	113.9	A215 V348 L349	A215-T351 HydrophobicContact CB-CG2 3.64Å; V348-T351 PolarHBondContact O-N 3.38Å; V348-T351 PolarHBondContact O-OG1 3.37Å; L349-T351 PolarHBondContact O-N 3.44Å; L349-T351 VanDerWaalsContact O-N 3.16Å
352	V	96.6	Very high	96.7	Very high	17 Å²	17	49.6 Å²	49.6	10%	0.103	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	18.9	175.3	-63.3	0	0	0	0	112	L349 S350 I354 Q539 L542 K543	L349-V352 HydrophobicContact CD2-CG2 4.46Å; L349-V352 WeakPolarHBondContact O-CG2 3.37Å; L349-V352 PolarHBondContact O-N 3.14Å; S350-V352 PolarHBondContact O-N 3.16Å; V352-I354 HydrophobicContact CG2-CB 4.4Å; V352-I354 HydrophobicContact CG2-CD1 3.83Å; V352-I354 HydrophobicContact CG2-CG1 4.06Å; V352-I354 PolarHBondContact O-N 3.3Å; V352-Q539 HydrophobicContact CG1-CB 3.96Å; V352-Q539 HydrophobicContact CG1-CG 3.97Å; V352-L542 HydrophobicContact CG1-CB 4.09Å; V352-L542 HydrophobicContact CG2-CB 3.9Å; V352-K543 HydrophobicContact CB-CG 3.79Å; V352-K543 HydrophobicContact CG1-CG 3.81Å
353	S	96.6	Very high	96.9	Very high	119 Å²	119	48.3 Å²	48.3	83%	0.832	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	30.9	176.8	-52.7	0	0	0	0	114.4	L349 S350	L349-S353 PolarHBondContact O-N 2.77Å; S350-S353 PolarHBondContact O-N 3.34Å
354	I	97.3	Very high	97	Very high	23 Å²	23	42.6 Å²	42.6	12%	0.118	24%	0.24	C	C	.	.			trans	-100.7	119.6	171.8	-63.4	171.5	0	0	0	108.1	L349 V352 I356 L545 R546	L349-I354 CarbonylContact C-O 3.47Å; L349-I354 HydrophobicContact CB-CB 4.21Å; L349-I354 HydrophobicContact CB-CG2 4.47Å; L349-I354 HydrophobicContact CD1-CG2 4.39Å; L349-I354 PolarHBondContact O-N 2.87Å; V352-I354 HydrophobicContact CG2-CB 4.4Å; V352-I354 HydrophobicContact CG2-CD1 3.83Å; V352-I354 HydrophobicContact CG2-CG1 4.06Å; V352-I354 PolarHBondContact O-N 3.3Å; I354-I356 HydrophobicContact CG2-CG2 4.33Å; I354-L545 HydrophobicContact CD1-CB 4.13Å; I354-L545 HydrophobicContact CG2-CD2 4.25Å; I354-R546 HydrophobicContact CD1-CG 4.04Å; I354-R546 HydrophobicContact CG1-CG 4.31Å; I354-R546 HydrophobicContact CG2-CG 4.37Å
355	D	94.4	Very high	97	Very high	103 Å²	103	43.9 Å²	43.9	55%	0.551	25%	0.245	S	C	*	.			trans	-91.5	147.5	167.3	-173.9	43.6	0	0	0	109.8	K346 Q357	K346-D355 IonicContact NZ-OD1 3.2Å; K346-D355 PolarHBondContact NZ-OD1 2.84Å; D355-Q357 PolarHBondContact OD2-NE2 2.74Å
356	I	95	Very high	96.9	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.01	25%	0.245	C	C	.	.			trans	-126.2	151.1	179.7	61.5	177.6	0	0	0	110.3	L327 I345 K346 L349 I354 E360	L327-I356 HydrophobicContact CD2-CD1 3.76Å; L327-I356 HydrophobicContact CD2-CG1 4.37Å; I345-I356 HydrophobicContact CB-CD1 3.62Å; I345-I356 HydrophobicContact CG2-CD1 3.35Å; K346-I356 HydrophobicContact CD-CG1 4.33Å; K346-I356 WeakPolarHBondContact CE-O 3.46Å; K346-I356 HydrophobicContact CG-CD1 3.8Å; K346-I356 HydrophobicContact CG-CG1 3.47Å; K346-I356 VanDerWaalsContact CG-CG1 3.47Å; K346-I356 PolarHBondContact NZ-O 3.44Å; L349-I356 HydrophobicContact CD1-CD1 4.38Å; L349-I356 HydrophobicContact CD1-CG2 3.42Å; L349-I356 VanDerWaalsContact CD1-CG2 3.42Å; I354-I356 HydrophobicContact CG2-CG2 4.33Å; I356-E360 HydrophobicContact CB-CB 4.35Å; I356-E360 HydrophobicContact CB-CG 4.33Å; I356-E360 HydrophobicContact CG2-CG 4.19Å
357	Q	95.1	Very high	96.7	Very high	105 Å²	105	41.2 Å²	41.2	49%	0.491	24%	0.236	S	C	.	.			trans	-113.8	171.4	177.3	-61.5	-58.2	-37	0	0	109.6	D355 D359 E360	D355-Q357 PolarHBondContact OD2-NE2 2.74Å; Q357-D359 WeakPolarHBondContact CB-OD1 3.46Å; Q357-D359 PolarHBondContact O-N 3.4Å; Q357-E360 VanDerWaalsContact O-CB 3.26Å; Q357-E360 WeakPolarHBondContact O-CB 3.41Å; Q357-E360 PolarHBondContact O-N 3.03Å; Q357-E360 VanDerWaalsContact O-N 3.13Å
358	L	96.3	Very high	96.6	Very high	97 Å²	97	43 Å²	43	51%	0.508	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-17.7	-176.2	-69.1	179	0	0	0	113.3	L327 A328 T342 E360	L327-L358 PolarHBondContact N-O 2.99Å; A328-L358 HydrophobicContact CB-CB 4.24Å; A328-L358 WeakPolarHBondContact CB-O 3.34Å; A328-L358 PolarHBondContact N-O 3.19Å; T342-L358 HydrophobicContact CG2-CD2 4.32Å; T342-L358 WeakPolarHBondContact OG1-CD2 3.46Å; L358-E360 VanDerWaalsContact C-N 3.34Å
359	D	97.4	Very high	96.6	Very high	120 Å²	120	43 Å²	43	64%	0.642	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.7	3.5	173.7	61.4	-31.6	0	0	0	113.6	Q357 E361	Q357-D359 WeakPolarHBondContact CB-OD1 3.46Å; Q357-D359 PolarHBondContact O-N 3.4Å; D359-E361 PolarHBondContact O-N 3.37Å
360	E	98.3	Very high	96.5	Very high	26 Å²	26	43 Å²	43	12%	0.121	24%	0.243	C	C	.	.			trans	-55.1	127.3	173.2	-173.9	69.2	-157.6	0	0	110.6	I239 T326 L327 I356 Q357 L358 R546	I239-E360 HydrophobicContact CD1-CG 4.09Å; T326-E360 CarbonylContact C-O 3.42Å; T326-E360 VanDerWaalsContact CA-O 3.3Å; T326-E360 WeakPolarHBondContact CA-O 3.32Å; L327-E360 HydrophobicContact CB-CB 4.27Å; L327-E360 PolarHBondContact N-O 3.07Å; I356-E360 HydrophobicContact CB-CB 4.35Å; I356-E360 HydrophobicContact CB-CG 4.33Å; I356-E360 HydrophobicContact CG2-CG 4.19Å; Q357-E360 VanDerWaalsContact O-CB 3.26Å; Q357-E360 WeakPolarHBondContact O-CB 3.41Å; Q357-E360 PolarHBondContact O-N 3.03Å; Q357-E360 VanDerWaalsContact O-N 3.13Å; L358-E360 VanDerWaalsContact C-N 3.34Å; E360-R546 IonicContact OE1-CZ 3.18Å; E360-R546 VanDerWaalsContact OE1-CZ 3.31Å; E360-R546 IonicContact OE1-NH1 3.71Å; E360-R546 PolarHBondContact OE1-NH1 2.95Å; E360-R546 IonicContact OE1-NH2 3.29Å; E360-R546 PolarHBondContact OE1-NH2 3.42Å; E360-R546 IonicContact OE2-CZ 3.56Å; E360-R546 IonicContact OE2-NH1 3.45Å; E360-R546 IonicContact OE2-NH2 2.71Å; E360-R546 PolarHBondContact OE2-NH2 2.71Å
361	E	98.3	Very high	96.3	Very high	65 Å²	65	45.8 Å²	45.8	30%	0.304	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	135.3	176	-63.5	-174.5	123.7	0	0	111.2	R236 I238 K324 D359	R236-E361 IonicContact CZ-OE2 2.92Å; R236-E361 VanDerWaalsContact CZ-OE2 3.24Å; R236-E361 IonicContact NH1-OE2 3.35Å; R236-E361 PolarHBondContact NH1-OE2 2.81Å; R236-E361 IonicContact NH2-OE2 2.62Å; R236-E361 PolarHBondContact NH2-OE2 2.62Å; I238-E361 HydrophobicContact CD1-CB 3.81Å; I238-E361 WeakPolarHBondContact CG1-O 3.34Å; K324-E361 HydrophobicContact CD-CB 4.37Å; K324-E361 WeakPolarHBondContact CE-OE1 3.42Å; K324-E361 IonicContact NZ-OE1 3.58Å; K324-E361 PolarHBondContact NZ-OE1 3.11Å; K324-E361 IonicContact NZ-OE2 3.59Å; D359-E361 PolarHBondContact O-N 3.37Å
362	V	98.5	Very high	96.3	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	151.6	175.5	-55.5	0	0	0	0	109.9	I239 K324 M325 L330 V364	I239-V362 HydrophobicContact CB-CG1 4.13Å; I239-V362 HydrophobicContact CD1-CG1 4.42Å; I239-V362 HydrophobicContact CG2-CG1 4.37Å; I239-V362 CarbonylContact O-C 3.59Å; I239-V362 WeakPolarHBondContact O-CA 3.37Å; K324-V362 WeakPolarHBondContact CA-O 3.43Å; M325-V362 HydrophobicContact CG-CG2 3.84Å; M325-V362 PolarHBondContact N-O 3.3Å; M325-V362 WeakPolarHBondContact O-CG2 3.47Å; M325-V362 PolarHBondContact O-N 3.5Å; M325-V362 VanDerWaalsContact O-O 3.1Å; L330-V362 HydrophobicContact CB-CG2 4.35Å; L330-V362 HydrophobicContact CD2-CG2 4.28Å; V362-V364 HydrophobicContact CG2-CG2 4.45Å
363	V	98.6	Very high	96.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	125	172.5	-179.7	0	0	0	0	109.4	I238 I239 Y240 I241 Y322 K324 Y365	I238-V363 HydrophobicContact CD1-CG2 3.75Å; I238-V363 HydrophobicContact CG1-CG2 4.19Å; I238-V363 HydrophobicContact CG2-CG2 3.9Å; I239-V363 PolarHBondContact O-N 3.12Å; Y240-V363 CarbonylContact C-O 3.57Å; Y240-V363 VanDerWaalsContact CA-O 3.32Å; Y240-V363 WeakPolarHBondContact CA-O 3.44Å; Y240-V363 HydrophobicContact CD1-CB 3.78Å; Y240-V363 HydrophobicContact CD1-CG1 3.78Å; Y240-V363 HydrophobicContact CE1-CB 3.75Å; Y240-V363 HydrophobicContact CE1-CG1 3.54Å; Y240-V363 HydrophobicContact CE1-CG2 4.29Å; Y240-V363 HydrophobicContact CG-CB 4.32Å; I241-V363 PolarHBondContact N-O 3.09Å; Y322-V363 HydrophobicContact CD2-CG1 3.75Å; Y322-V363 HydrophobicContact CD2-CG2 4.35Å; Y322-V363 HydrophobicContact CE2-CG1 3.97Å; Y322-V363 HydrophobicContact CE2-CG2 3.71Å; Y322-V363 HydrophobicContact CG-CG1 4.18Å; K324-V363 HydrophobicContact CB-CG2 4.35Å; K324-V363 HydrophobicContact CG-CG2 4.45Å; V363-Y365 HydrophobicContact CG1-CD1 3.73Å; V363-Y365 HydrophobicContact CG1-CE1 3.66Å
364	V	98.1	Very high	95.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	111.6	178.6	-178.2	0	0	0	0	109.6	I241 N323 M325 L330 Y334 V362 L370	I241-V364 HydrophobicContact CB-CG2 4.45Å; N323-V364 HydrophobicContact CB-CB 4.45Å; N323-V364 WeakPolarHBondContact CB-O 3.33Å; N323-V364 PolarHBondContact N-O 2.94Å; N323-V364 PolarHBondContact ND2-O 3.39Å; N323-V364 PolarHBondContact O-N 3.5Å; M325-V364 HydrophobicContact CE-CB 4.08Å; M325-V364 HydrophobicContact CE-CG2 3.77Å; M325-V364 HydrophobicContact CG-CG2 4.3Å; M325-V364 HydrophobicContact SD-CG2 3.9Å; L330-V364 HydrophobicContact CD1-CG2 3.51Å; Y334-V364 HydrophobicContact CE2-CG1 4.33Å; V362-V364 HydrophobicContact CG2-CG2 4.45Å; V364-L370 HydrophobicContact CG1-CD1 3.63Å
365	Y	97.6	Very high	95.5	Very high	27 Å²	27	48.2 Å²	48.2	11%	0.106	25%	0.245	C	C	.	.	S	Bend	trans	-88.3	-11.8	175.6	-84	6	0	0	0	113.6	D231 Y240 I241 L321 Y322 V363	D231-Y365 PolarHBondContact OD2-OH 3.17Å; Y240-Y365 HydrophobicContact CD1-CD1 4.14Å; Y240-Y365 HydrophobicContact CD1-CD2 4.27Å; Y240-Y365 AromaticContact CD1-CE1 3.91Å; Y240-Y365 HydrophobicContact CD1-CE1 3.91Å; Y240-Y365 HydrophobicContact CD1-CE2 4.05Å; Y240-Y365 HydrophobicContact CD1-CG 4.34Å; Y240-Y365 AromaticContact CD1-CZ 3.88Å; Y240-Y365 HydrophobicContact CE1-CD1 4.19Å; Y240-Y365 AromaticContact CE1-CE1 3.51Å; Y240-Y365 HydrophobicContact CE1-CE1 3.51Å; Y240-Y365 HydrophobicContact CE1-CE2 4.01Å; Y240-Y365 AromaticContact CE1-CZ 3.42Å; Y240-Y365 VanDerWaalsContact CE1-CZ 3.42Å; I241-Y365 PolarHBondContact O-N 3.3Å; L321-Y365 HydrophobicContact CB-CD1 3.98Å; L321-Y365 HydrophobicContact CB-CE1 4.3Å; L321-Y365 HydrophobicContact CB-CG 4.18Å; L321-Y365 WeakPolarHBondContact O-CA 3.36Å; L321-Y365 WeakPolarHBondContact O-CD1 3.32Å; Y322-Y365 HydrophobicContact CD2-CE1 4.34Å; V363-Y365 HydrophobicContact CG1-CD1 3.73Å; V363-Y365 HydrophobicContact CG1-CE1 3.66Å
366	S	95.4	Very high	95.5	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.007	22%	0.221	C	C	.	.			trans	-121	31.7	-165.1	61.3	0	0	0	0	113.5	I241 D242 Q243 Y369 L370	I241-S366 PolarHBondContact O-OG 2.7Å; D242-S366 VanDerWaalsContact CA-OG 3.3Å; D242-S366 WeakPolarHBondContact CA-OG 3.46Å; D242-S366 WeakPolarHBondContact OD1-CB 3.48Å; Q243-S366 VanDerWaalsContact N-CB 3.27Å; Q243-S366 PolarHBondContact N-OG 2.9Å; S366-Y369 WeakPolarHBondContact O-CA 3.48Å; S366-Y369 VanDerWaalsContact O-CB 3.3Å; S366-Y369 WeakPolarHBondContact O-CB 3.14Å; S366-Y369 PolarHBondContact O-N 3.16Å; S366-L370 PolarHBondContact O-N 3.09Å
367	S	94.6	Very high	95.4	Very high	14 Å²	14	44 Å²	44	10%	0.098	22%	0.223	C	C	.	.	H	α-helix	trans	-48.3	-49.6	-176.7	-54.1	0	0	0	0	113.7	Y334 Y369 L370 E371	Y334-S367 WeakPolarHBondContact OH-CB 3.43Å; Y334-S367 PolarHBondContact OH-OG 2.96Å; S367-Y369 VanDerWaalsContact C-N 3.26Å; S367-Y369 PolarHBondContact O-N 3.09Å; S367-L370 PolarHBondContact O-N 3.21Å; S367-E371 WeakPolarHBondContact O-CG 3.49Å; S367-E371 PolarHBondContact O-N 2.85Å; S367-E371 VanDerWaalsContact O-N 3.13Å
368	P	94.1	Very high	95.2	Very high	60 Å²	60	42.2 Å²	42.2	39%	0.39	22%	0.222	S	C	.	.	H	α-helix	trans	-65.3	-27.5	178.5	-20.6	34.3	0	0	0	114.1	K372	P368-K372 WeakPolarHBondContact O-CD 3.41Å; P368-K372 WeakPolarHBondContact O-CG 3.3Å
369	Y	96.6	Very high	95.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-72.6	-49.6	175.7	164.2	-102.9	0	0	0	110.4	V222 L223 Q243 P244 I305 A308 T309 S366 S367 E371 K372 M373	V222-Y369 PolarHBondContact O-OH 3.24Å; L223-Y369 HydrophobicContact CD2-CE1 4.24Å; Q243-Y369 HydrophobicContact CB-CD1 3.84Å; Q243-Y369 HydrophobicContact CB-CD2 4.18Å; Q243-Y369 HydrophobicContact CB-CE1 4.2Å; Q243-Y369 HydrophobicContact CB-CG 3.83Å; P244-Y369 VanDerWaalsContact CD-OH 3.31Å; P244-Y369 WeakPolarHBondContact CD-OH 3.25Å; I305-Y369 HydrophobicContact CG2-CE2 4.21Å; A308-Y369 HydrophobicContact CB-CD2 3.68Å; A308-Y369 HydrophobicContact CB-CE2 3.89Å; T309-Y369 HydrophobicContact CG2-CD2 4.23Å; T309-Y369 HydrophobicContact CG2-CE2 4.22Å; S366-Y369 WeakPolarHBondContact O-CA 3.48Å; S366-Y369 VanDerWaalsContact O-CB 3.3Å; S366-Y369 WeakPolarHBondContact O-CB 3.14Å; S366-Y369 PolarHBondContact O-N 3.16Å; S367-Y369 VanDerWaalsContact C-N 3.26Å; S367-Y369 PolarHBondContact O-N 3.09Å; Y369-E371 VanDerWaalsContact C-N 3.26Å; Y369-E371 PolarHBondContact O-N 3.26Å; Y369-K372 PolarHBondContact O-N 2.81Å; Y369-M373 HydrophobicContact CD1-CG 4.2Å; Y369-M373 HydrophobicContact CD2-CG 4.11Å; Y369-M373 HydrophobicContact CD2-SD 4.28Å; Y369-M373 HydrophobicContact CE1-CG 3.77Å; Y369-M373 HydrophobicContact CE1-SD 4.39Å; Y369-M373 HydrophobicContact CE2-CG 3.68Å; Y369-M373 HydrophobicContact CE2-SD 3.45Å; Y369-M373 WeakPolarHBondContact CE2-SD 3.32Å; Y369-M373 HydrophobicContact CG-CG 4.35Å; Y369-M373 VanDerWaalsContact CZ-CG 3.48Å; Y369-M373 VanDerWaalsContact CZ-SD 3.5Å; Y369-M373 WeakPolarHBondContact O-CG 3.49Å; Y369-M373 PolarHBondContact O-N 3.19Å; Y369-M373 VanDerWaalsContact O-N 3.1Å; Y369-M373 WeakPolarHBondContact OH-CE 3.42Å; Y369-M373 PolarHBondContact OH-SD 2.89Å; Y369-M373 VanDerWaalsContact OH-SD 3.39Å
370	L	95.4	Very high	95.1	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-60.2	-35.2	179.9	-61.3	-175.8	0	0	0	112.4	L223 I241 Y334 F336 W341 V364 S366 S367 K372 M373	L223-L370 HydrophobicContact CD2-CD2 3.49Å; L223-L370 VanDerWaalsContact CD2-CD2 3.49Å; I241-L370 HydrophobicContact CG2-CD1 4.22Å; Y334-L370 HydrophobicContact CD1-CB 3.55Å; Y334-L370 HydrophobicContact CD1-CD1 4.36Å; Y334-L370 HydrophobicContact CD2-CD1 3.86Å; Y334-L370 HydrophobicContact CE1-CB 3.97Å; Y334-L370 HydrophobicContact CE2-CD1 4.13Å; Y334-L370 HydrophobicContact CG-CB 3.87Å; Y334-L370 HydrophobicContact CG-CD1 3.97Å; F336-L370 WeakPolarHBondContact CD1-O 3.48Å; F336-L370 HydrophobicContact CE1-CB 4.18Å; F336-L370 HydrophobicContact CE1-CD2 3.94Å; F336-L370 HydrophobicContact CZ-CD2 4.29Å; W341-L370 HydrophobicContact CH2-CD1 4.22Å; W341-L370 HydrophobicContact CH2-CD2 4.07Å; W341-L370 HydrophobicContact CZ2-CD1 4.28Å; W341-L370 HydrophobicContact CZ2-CD2 4.35Å; V364-L370 HydrophobicContact CG1-CD1 3.63Å; S366-L370 PolarHBondContact O-N 3.09Å; S367-L370 PolarHBondContact O-N 3.21Å; L370-K372 VanDerWaalsContact C-N 3.33Å; L370-K372 PolarHBondContact O-N 2.92Å; L370-M373 PolarHBondContact O-N 2.95Å
371	E	93.3	Very high	95	Very high	132 Å²	132	40.7 Å²	40.7	62%	0.617	21%	0.208	S	C	*	.	H	α-helix	trans	-60.4	-39.7	173.9	-72.2	172.9	-170.3	0	0	112.8	Y334 S367 Y369	Y334-E371 HydrophobicContact CD1-CG 4.41Å; Y334-E371 HydrophobicContact CE1-CG 3.95Å; S367-E371 WeakPolarHBondContact O-CG 3.49Å; S367-E371 PolarHBondContact O-N 2.85Å; S367-E371 VanDerWaalsContact O-N 3.13Å; Y369-E371 VanDerWaalsContact C-N 3.26Å; Y369-E371 PolarHBondContact O-N 3.26Å
372	K	94.8	Very high	94.8	Very high	94 Å²	94	41.2 Å²	41.2	41%	0.409	21%	0.212	S	C	.	.	H	α-helix	trans	-79.3	-24.4	-178.6	-65.6	170.6	-167.6	168.3	0	112.8	A308 P368 Y369 L370 N374 D375 V376	A308-K372 HydrophobicContact CB-CB 3.82Å; A308-K372 HydrophobicContact CB-CD 4.2Å; A308-K372 PolarHBondContact O-NZ 2.89Å; P368-K372 WeakPolarHBondContact O-CD 3.41Å; P368-K372 WeakPolarHBondContact O-CG 3.3Å; Y369-K372 PolarHBondContact O-N 2.81Å; L370-K372 VanDerWaalsContact C-N 3.33Å; L370-K372 PolarHBondContact O-N 2.92Å; K372-N374 PolarHBondContact O-N 3.3Å; K372-D375 PolarHBondContact O-N 3.49Å; K372-V376 PolarHBondContact O-N 3.41Å
373	M	94.4	Very high	94.7	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-65.3	-22.2	-174.6	-76.8	-57	-71.1	0	0	114.1	V222 I305 A308 F336 Y369 L370 V376 L377	V222-M373 HydrophobicContact CG1-CE 3.69Å; I305-M373 HydrophobicContact CG1-CE 4.25Å; I305-M373 HydrophobicContact CG1-SD 4.48Å; A308-M373 HydrophobicContact CB-SD 4.12Å; F336-M373 HydrophobicContact CD1-CB 4.07Å; F336-M373 HydrophobicContact CE1-CB 4.12Å; F336-M373 HydrophobicContact CG-CB 4.27Å; F336-M373 HydrophobicContact CZ-CB 4.34Å; Y369-M373 HydrophobicContact CD1-CG 4.2Å; Y369-M373 HydrophobicContact CD2-CG 4.11Å; Y369-M373 HydrophobicContact CD2-SD 4.28Å; Y369-M373 HydrophobicContact CE1-CG 3.77Å; Y369-M373 HydrophobicContact CE1-SD 4.39Å; Y369-M373 HydrophobicContact CE2-CG 3.68Å; Y369-M373 HydrophobicContact CE2-SD 3.45Å; Y369-M373 WeakPolarHBondContact CE2-SD 3.32Å; Y369-M373 HydrophobicContact CG-CG 4.35Å; Y369-M373 VanDerWaalsContact CZ-CG 3.48Å; Y369-M373 VanDerWaalsContact CZ-SD 3.5Å; Y369-M373 WeakPolarHBondContact O-CG 3.49Å; Y369-M373 PolarHBondContact O-N 3.19Å; Y369-M373 VanDerWaalsContact O-N 3.1Å; Y369-M373 WeakPolarHBondContact OH-CE 3.42Å; Y369-M373 PolarHBondContact OH-SD 2.89Å; Y369-M373 VanDerWaalsContact OH-SD 3.39Å; L370-M373 PolarHBondContact O-N 2.95Å; M373-V376 PolarHBondContact O-N 3.12Å; M373-V376 HydrophobicContact SD-CB 4.19Å; M373-V376 HydrophobicContact SD-CG1 4.44Å; M373-V376 HydrophobicContact SD-CG2 4.3Å; M373-L377 HydrophobicContact CE-CD1 4.29Å; M373-L377 HydrophobicContact CE-CD2 3.98Å; M373-L377 HydrophobicContact CE-CG 3.98Å; M373-L377 WeakPolarHBondContact O-CB 3.44Å; M373-L377 VanDerWaalsContact O-CG 3.31Å; M373-L377 WeakPolarHBondContact O-CG 3.36Å; M373-L377 PolarHBondContact O-N 3.4Å
374	N	88.8	Confident	94.7	Very high	78 Å²	78	44 Å²	44	42%	0.417	23%	0.227	S	C	.	.	H	α-helix	trans	-58	-48.5	171.9	-169.4	50.1	0	0	0	112.9	F336 N337 K372 S378	F336-N374 WeakPolarHBondContact CA-OD1 3.46Å; F336-N374 HydrophobicContact CB-CB 3.47Å; F336-N374 VanDerWaalsContact CB-CB 3.47Å; N337-N374 PolarHBondContact N-OD1 2.93Å; K372-N374 PolarHBondContact O-N 3.3Å; N374-S378 WeakPolarHBondContact O-CB 3.49Å; N374-S378 PolarHBondContact O-N 3.36Å; N374-S378 PolarHBondContact O-OG 3.38Å
375	D	91.3	Very high	94.6	Very high	87 Å²	87	44.5 Å²	44.5	47%	0.465	23%	0.229	S	C	.	.	H	α-helix	trans	-65.1	-46.6	179.3	-177.1	54.8	0	0	0	110.1	K372 L377 S378 R379	K372-D375 PolarHBondContact O-N 3.49Å; D375-L377 PolarHBondContact O-N 3.07Å; D375-S378 PolarHBondContact O-N 3.04Å; D375-S378 PolarHBondContact O-OG 3.42Å; D375-R379 WeakPolarHBondContact O-CG 3.47Å; D375-R379 IonicContact OD2-CZ 3.32Å; D375-R379 IonicContact OD2-NH1 2.99Å; D375-R379 PolarHBondContact OD2-NH1 3.46Å
376	V	94.7	Very high	94.6	Very high	6 Å²	6	43.2 Å²	43.2	4%	0.036	22%	0.224	C	C	.	.	H	α-helix	trans	-56.8	-56.1	-179.6	179.2	0	0	0	0	111.2	L301 D304 I305 A308 K372 M373 S378 R379 Y380	L301-V376 HydrophobicContact CD1-CG1 4Å; D304-V376 HydrophobicContact CB-CG1 3.89Å; D304-V376 HydrophobicContact CB-CG2 4.2Å; I305-V376 HydrophobicContact CG1-CG1 4.07Å; A308-V376 HydrophobicContact CB-CG2 4.41Å; K372-V376 PolarHBondContact O-N 3.41Å; M373-V376 PolarHBondContact O-N 3.12Å; M373-V376 HydrophobicContact SD-CB 4.19Å; M373-V376 HydrophobicContact SD-CG1 4.44Å; M373-V376 HydrophobicContact SD-CG2 4.3Å; V376-S378 VanDerWaalsContact C-N 3.26Å; V376-S378 PolarHBondContact O-N 2.95Å; V376-R379 PolarHBondContact O-N 2.92Å; V376-Y380 HydrophobicContact CG1-CE2 4.45Å; V376-Y380 VanDerWaalsContact O-CD2 3.25Å; V376-Y380 WeakPolarHBondContact O-CD2 3.37Å
377	L	91.8	Very high	94.8	Very high	11 Å²	11	43.2 Å²	43.2	6%	0.058	22%	0.224	C	C	.	.	H	α-helix	trans	-66.3	-28.2	-173.9	-64.5	174.3	0	0	0	113	L206 V222 F336 M373 D375 R379 M385	L206-L377 HydrophobicContact CD2-CD1 4.34Å; L206-L377 HydrophobicContact CD2-CD2 4.43Å; V222-L377 HydrophobicContact CG1-CD2 4.35Å; F336-L377 HydrophobicContact CD2-CD1 3.33Å; F336-L377 HydrophobicContact CE2-CD1 3.55Å; F336-L377 HydrophobicContact CG-CD1 4.35Å; M373-L377 HydrophobicContact CE-CD1 4.29Å; M373-L377 HydrophobicContact CE-CD2 3.98Å; M373-L377 HydrophobicContact CE-CG 3.98Å; M373-L377 WeakPolarHBondContact O-CB 3.44Å; M373-L377 VanDerWaalsContact O-CG 3.31Å; M373-L377 WeakPolarHBondContact O-CG 3.36Å; M373-L377 PolarHBondContact O-N 3.4Å; D375-L377 PolarHBondContact O-N 3.07Å; L377-R379 VanDerWaalsContact C-N 3.25Å; L377-R379 PolarHBondContact O-N 2.92Å; L377-M385 HydrophobicContact CD2-CE 3.33Å; L377-M385 HydrophobicContact CD2-SD 4.48Å
378	S	91.9	Very high	95	Very high	67 Å²	67	42.6 Å²	42.6	47%	0.469	22%	0.219	S	C	.	.	H	α-helix	trans	-69.4	-20.2	178.3	75.4	0	0	0	0	114.1	N374 D375 V376	N374-S378 WeakPolarHBondContact O-CB 3.49Å; N374-S378 PolarHBondContact O-N 3.36Å; N374-S378 PolarHBondContact O-OG 3.38Å; D375-S378 PolarHBondContact O-N 3.04Å; D375-S378 PolarHBondContact O-OG 3.42Å; V376-S378 VanDerWaalsContact C-N 3.26Å; V376-S378 PolarHBondContact O-N 2.95Å
379	R	94.9	Very high	95.2	Very high	124 Å²	124	39.7 Å²	39.7	47%	0.468	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-13.7	-175.3	-66.4	-172.2	-55.9	-149.7	10.9	114.4	D304 D375 V376 L377	D304-R379 IonicContact OD1-NH2 2.69Å; D304-R379 PolarHBondContact OD1-NH2 3.18Å; D304-R379 IonicContact OD2-CZ 3.59Å; D304-R379 IonicContact OD2-NE 3.27Å; D304-R379 IonicContact OD2-NH2 2.65Å; D304-R379 PolarHBondContact OD2-NH2 2.65Å; D375-R379 WeakPolarHBondContact O-CG 3.47Å; D375-R379 IonicContact OD2-CZ 3.32Å; D375-R379 IonicContact OD2-NH1 2.99Å; D375-R379 PolarHBondContact OD2-NH1 3.46Å; V376-R379 PolarHBondContact O-N 2.92Å; L377-R379 VanDerWaalsContact C-N 3.25Å; L377-R379 PolarHBondContact O-N 2.92Å
380	Y	95.7	Very high	95.2	Very high	28 Å²	28	39.7 Å²	39.7	11%	0.11	20%	0.201	C	C	.	.	S	Bend	trans	-117.1	144	-171	-66.9	-81.2	0	0	0	112.1	K300 L301 D304 V376 T384	K300-Y380 VanDerWaalsContact C-OH 3.3Å; K300-Y380 WeakPolarHBondContact CG-OH 3.46Å; K300-Y380 PolarHBondContact O-OH 3.35Å; L301-Y380 VanDerWaalsContact CA-CZ 3.47Å; L301-Y380 HydrophobicContact CB-CD1 3.97Å; L301-Y380 HydrophobicContact CB-CD2 4.28Å; L301-Y380 HydrophobicContact CB-CE1 3.79Å; L301-Y380 HydrophobicContact CB-CE2 4.13Å; L301-Y380 HydrophobicContact CB-CG 4.21Å; L301-Y380 HydrophobicContact CD1-CD2 3.48Å; L301-Y380 VanDerWaalsContact CD1-CD2 3.48Å; L301-Y380 HydrophobicContact CD1-CE2 3.76Å; L301-Y380 HydrophobicContact CD1-CG 3.92Å; L301-Y380 HydrophobicContact CG-CD2 4.39Å; L301-Y380 HydrophobicContact CG-CG 4.45Å; L301-Y380 PolarHBondContact N-OH 2.95Å; D304-Y380 HydrophobicContact CB-CE2 4.37Å; D304-Y380 VanDerWaalsContact OD2-CE2 3.26Å; D304-Y380 WeakPolarHBondContact OD2-CE2 3.22Å; D304-Y380 VanDerWaalsContact OD2-CZ 3.3Å; D304-Y380 PolarHBondContact OD2-OH 3.42Å; V376-Y380 HydrophobicContact CG1-CE2 4.45Å; V376-Y380 VanDerWaalsContact O-CD2 3.25Å; V376-Y380 WeakPolarHBondContact O-CD2 3.37Å; Y380-T384 HydrophobicContact CD1-CG2 3.85Å
381	S	95.4	Very high	95.4	Very high	59 Å²	59	39.6 Å²	39.6	41%	0.413	20%	0.2	S	C	.	.			trans	-71.7	156.2	175	64.3	0	0	0	0	111.4	Q383 T384 M385	S381-Q383 PolarHBondContact O-N 2.84Å; S381-T384 PolarHBondContact O-N 3.37Å; S381-T384 PolarHBondContact OG-N 3.16Å; S381-T384 PolarHBondContact OG-OG1 3Å; S381-M385 PolarHBondContact O-N 3.06Å
382	I	94.8	Very high	95.6	Very high	75 Å²	75	33.6 Å²	33.6	39%	0.385	17%	0.172	S	C	.	.	H	α-helix	trans	-55.9	-32	172.1	62	167.5	0	0	0	112	W196 G201 W204 M385 Q386	W196-I382 HydrophobicContact CH2-CD1 4.17Å; W196-I382 HydrophobicContact CH2-CG1 4.24Å; W196-I382 HydrophobicContact CZ3-CD1 4Å; W196-I382 HydrophobicContact CZ3-CG1 4.02Å; G201-I382 WeakPolarHBondContact O-CD1 3.42Å; W204-I382 HydrophobicContact CE3-CB 3.84Å; W204-I382 HydrophobicContact CE3-CG2 3.81Å; W204-I382 HydrophobicContact CZ3-CB 3.89Å; W204-I382 HydrophobicContact CZ3-CG2 3.65Å; I382-M385 PolarHBondContact O-N 3.39Å; I382-Q386 WeakPolarHBondContact O-CB 3.47Å; I382-Q386 PolarHBondContact O-N 3.12Å
383	Q	96.3	Very high	95.7	Very high	45 Å²	45	29.3 Å²	29.3	21%	0.21	15%	0.154	C	C	.	.	H	α-helix	trans	-64.6	-47.4	175.5	-169.5	-172.3	1.8	0	0	111.6	P190 W196 E294 S381 M385 Q386 N387	P190-Q383 HydrophobicContact CB-CG 3.43Å; P190-Q383 VanDerWaalsContact CB-CG 3.43Å; P190-Q383 HydrophobicContact CG-CG 4Å; W196-Q383 HydrophobicContact CZ3-CB 4.34Å; E294-Q383 PolarHBondContact OE1-NE2 3.43Å; E294-Q383 PolarHBondContact OE2-NE2 3.2Å; S381-Q383 PolarHBondContact O-N 2.84Å; Q383-M385 VanDerWaalsContact C-N 3.29Å; Q383-M385 PolarHBondContact O-N 3.31Å; Q383-Q386 PolarHBondContact O-N 3.39Å; Q383-N387 WeakPolarHBondContact O-CB 3.47Å; Q383-N387 PolarHBondContact O-N 3.38Å
384	T	98	Very high	95.8	Very high	15 Å²	15	29.4 Å²	29.4	9%	0.092	15%	0.154	C	C	.	.	H	α-helix	trans	-64.9	-39.1	178	-51.9	0	0	0	0	110.6	Q297 L301 Y380 S381 N387 Y388	Q297-T384 HydrophobicContact CB-CG2 3.93Å; L301-T384 HydrophobicContact CB-CG2 4.41Å; L301-T384 HydrophobicContact CD2-CG2 4.26Å; Y380-T384 HydrophobicContact CD1-CG2 3.85Å; S381-T384 PolarHBondContact O-N 3.37Å; S381-T384 PolarHBondContact OG-N 3.16Å; S381-T384 PolarHBondContact OG-OG1 3Å; T384-N387 PolarHBondContact O-N 2.95Å; T384-Y388 PolarHBondContact O-N 3.09Å
385	M	97.2	Very high	96.1	Very high	9 Å²	9	25.9 Å²	25.9	4%	0.044	14%	0.135	C	C	.	.	H	α-helix	trans	-62.1	-52.2	175.9	-172	55.3	59.5	0	0	111.4	W204 L206 V222 L301 L377 S381 I382 Q383 N387 Y388 L389	W204-M385 HydrophobicContact CH2-CB 4.14Å; W204-M385 HydrophobicContact CH2-CG 3.76Å; W204-M385 HydrophobicContact CZ2-CB 4.43Å; W204-M385 HydrophobicContact CZ2-CG 4.04Å; L206-M385 HydrophobicContact CD1-CG 3.87Å; L206-M385 HydrophobicContact CD1-SD 4.25Å; V222-M385 HydrophobicContact CG2-SD 4.01Å; L301-M385 HydrophobicContact CD1-CE 3.94Å; L301-M385 HydrophobicContact CD2-CE 3.69Å; L301-M385 HydrophobicContact CD2-SD 4.11Å; L301-M385 HydrophobicContact CG-CE 4.47Å; L377-M385 HydrophobicContact CD2-CE 3.33Å; L377-M385 HydrophobicContact CD2-SD 4.48Å; S381-M385 PolarHBondContact O-N 3.06Å; I382-M385 PolarHBondContact O-N 3.39Å; Q383-M385 VanDerWaalsContact C-N 3.29Å; Q383-M385 PolarHBondContact O-N 3.31Å; M385-N387 VanDerWaalsContact C-N 3.29Å; M385-N387 PolarHBondContact O-N 3.35Å; M385-Y388 WeakPolarHBondContact O-CB 3.42Å; M385-Y388 PolarHBondContact O-N 3.2Å; M385-Y388 HydrophobicContact SD-CD1 4.31Å; M385-L389 HydrophobicContact CG-CD1 4.24Å; M385-L389 HydrophobicContact CG-CG 4.39Å; M385-L389 VanDerWaalsContact O-CG 3.32Å; M385-L389 WeakPolarHBondContact O-CG 3.49Å; M385-L389 PolarHBondContact O-N 3.47Å; M385-L389 HydrophobicContact SD-CD2 4.46Å; M385-L389 HydrophobicContact SD-CG 4.37Å
386	Q	97.8	Very high	96.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61.2	-37.4	177.8	-179.9	64.9	12	0	0	112.3	I186 D188 P190 W196 I382 Q383 Y388 L389 T390	I186-Q386 PolarHBondContact O-NE2 3.11Å; D188-Q386 PolarHBondContact O-NE2 2.9Å; P190-Q386 HydrophobicContact CG-CB 3.84Å; P190-Q386 HydrophobicContact CG-CG 3.76Å; W196-Q386 HydrophobicContact CH2-CB 4Å; W196-Q386 HydrophobicContact CH2-CG 4.4Å; W196-Q386 HydrophobicContact CZ2-CB 3.68Å; W196-Q386 HydrophobicContact CZ2-CG 3.58Å; I382-Q386 WeakPolarHBondContact O-CB 3.47Å; I382-Q386 PolarHBondContact O-N 3.12Å; Q383-Q386 PolarHBondContact O-N 3.39Å; Q386-Y388 VanDerWaalsContact C-N 3.32Å; Q386-Y388 PolarHBondContact O-N 3.39Å; Q386-L389 PolarHBondContact O-N 3.21Å; Q386-T390 PolarHBondContact NE2-OG1 2.85Å; Q386-T390 VanDerWaalsContact O-CB 3.3Å; Q386-T390 WeakPolarHBondContact O-CB 3.39Å; Q386-T390 PolarHBondContact O-N 2.93Å; Q386-T390 PolarHBondContact O-OG1 3.04Å
387	N	98.6	Very high	96.1	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.011	14%	0.136	C	C	.	.	H	α-helix	trans	-59.1	-43.8	173.1	-85.3	-25	0	0	0	112	W189 P190 V191 E294 M295 V298 Q383 T384 M385 W391	W189-N387 PolarHBondContact NE1-O 3.09Å; W189-N387 PolarHBondContact NE1-OD1 3.45Å; P190-N387 WeakPolarHBondContact CB-OD1 3.45Å; P190-N387 VanDerWaalsContact CD-OD1 3.23Å; P190-N387 WeakPolarHBondContact CD-OD1 3.49Å; P190-N387 WeakPolarHBondContact CG-OD1 3.27Å; V191-N387 PolarHBondContact N-OD1 3.44Å; E294-N387 PolarHBondContact OE2-ND2 3.39Å; M295-N387 HydrophobicContact CE-CB 4.18Å; V298-N387 HydrophobicContact CG2-CB 3.52Å; Q383-N387 WeakPolarHBondContact O-CB 3.47Å; Q383-N387 PolarHBondContact O-N 3.38Å; T384-N387 PolarHBondContact O-N 2.95Å; M385-N387 VanDerWaalsContact C-N 3.29Å; M385-N387 PolarHBondContact O-N 3.35Å; N387-W391 WeakPolarHBondContact O-CB 3.37Å; N387-W391 PolarHBondContact O-N 2.89Å
388	Y	98.6	Very high	96.3	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-65.6	-48.9	176.2	171.4	-112.1	0	0	0	112.1	V221 V222 V298 L301 E302 I305 T384 M385 Q386 T390 W391 Q392	V221-Y388 HydrophobicContact CG2-CD1 4.13Å; V221-Y388 HydrophobicContact CG2-CE1 3.44Å; V221-Y388 VanDerWaalsContact CG2-CE1 3.44Å; V222-Y388 HydrophobicContact CG2-CD1 4.31Å; V222-Y388 HydrophobicContact CG2-CE1 3.88Å; V298-Y388 HydrophobicContact CG1-CD2 3.97Å; L301-Y388 HydrophobicContact CD2-CD1 4.07Å; L301-Y388 HydrophobicContact CD2-CG 3.94Å; L301-Y388 HydrophobicContact CG-CG 4.46Å; E302-Y388 HydrophobicContact CB-CD2 4.27Å; E302-Y388 HydrophobicContact CB-CE2 3.74Å; E302-Y388 HydrophobicContact CG-CE2 3.68Å; I305-Y388 HydrophobicContact CD1-CD1 4.23Å; I305-Y388 HydrophobicContact CD1-CE1 3.52Å; T384-Y388 PolarHBondContact O-N 3.09Å; M385-Y388 WeakPolarHBondContact O-CB 3.42Å; M385-Y388 PolarHBondContact O-N 3.2Å; M385-Y388 HydrophobicContact SD-CD1 4.31Å; Q386-Y388 VanDerWaalsContact C-N 3.32Å; Q386-Y388 PolarHBondContact O-N 3.39Å; Y388-T390 VanDerWaalsContact C-N 3.33Å; Y388-T390 PolarHBondContact O-N 3.44Å; Y388-W391 PolarHBondContact O-N 3.29Å; Y388-Q392 HydrophobicContact CD2-CG 3.95Å; Y388-Q392 HydrophobicContact CE1-CG 4.34Å; Y388-Q392 HydrophobicContact CE2-CG 3.56Å; Y388-Q392 HydrophobicContact CG-CG 4.49Å; Y388-Q392 WeakPolarHBondContact O-CB 3.44Å; Y388-Q392 VanDerWaalsContact O-CG 3.27Å; Y388-Q392 WeakPolarHBondContact O-CG 3.4Å; Y388-Q392 PolarHBondContact O-N 2.96Å
389	L	98.1	Very high	96.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-58.4	-45.3	179.2	-64.7	-179.6	0	0	0	111.9	W204 L206 T209 L210 L213 V221 V222 M385 Q386 Q392 L393	W204-L389 HydrophobicContact CZ2-CD1 4Å; L206-L389 HydrophobicContact CD1-CD1 3.87Å; T209-L389 HydrophobicContact CG2-CD1 3.67Å; L210-L389 HydrophobicContact CD2-CD1 4.45Å; L210-L389 HydrophobicContact CD2-CD2 3.67Å; L213-L389 HydrophobicContact CD1-CB 4.03Å; L213-L389 HydrophobicContact CD1-CD2 4.29Å; V221-L389 HydrophobicContact CB-CD2 4.3Å; V221-L389 HydrophobicContact CG1-CD2 3.54Å; V221-L389 HydrophobicContact CG2-CD2 3.77Å; V222-L389 HydrophobicContact CG2-CD2 3.89Å; M385-L389 HydrophobicContact CG-CD1 4.24Å; M385-L389 HydrophobicContact CG-CG 4.39Å; M385-L389 VanDerWaalsContact O-CG 3.32Å; M385-L389 WeakPolarHBondContact O-CG 3.49Å; M385-L389 PolarHBondContact O-N 3.47Å; M385-L389 HydrophobicContact SD-CD2 4.46Å; M385-L389 HydrophobicContact SD-CG 4.37Å; Q386-L389 PolarHBondContact O-N 3.21Å; L389-Q392 PolarHBondContact O-N 2.54Å; L389-L393 PolarHBondContact O-N 2.85Å
390	T	98.1	Very high	96.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-66.3	-46.7	177.9	-56.3	0	0	0	0	110.8	I183 I186 W189 Q386 Y388 Q392 L393 I394	I183-T390 HydrophobicContact CG1-CG2 4.31Å; I186-T390 HydrophobicContact CD1-CG2 3.86Å; W189-T390 HydrophobicContact CB-CG2 3.66Å; W189-T390 HydrophobicContact CD2-CG2 3.92Å; W189-T390 HydrophobicContact CG-CG2 3.45Å; W189-T390 VanDerWaalsContact CG-CG2 3.45Å; Q386-T390 PolarHBondContact NE2-OG1 2.85Å; Q386-T390 VanDerWaalsContact O-CB 3.3Å; Q386-T390 WeakPolarHBondContact O-CB 3.39Å; Q386-T390 PolarHBondContact O-N 2.93Å; Q386-T390 PolarHBondContact O-OG1 3.04Å; Y388-T390 VanDerWaalsContact C-N 3.33Å; Y388-T390 PolarHBondContact O-N 3.44Å; T390-Q392 VanDerWaalsContact C-N 3.31Å; T390-Q392 PolarHBondContact O-N 2.73Å; T390-L393 WeakPolarHBondContact O-CB 3.39Å; T390-L393 PolarHBondContact O-N 3.02Å; T390-L393 VanDerWaalsContact O-N 3.09Å; T390-I394 HydrophobicContact CG2-CD1 3.59Å; T390-I394 HydrophobicContact CG2-CG1 4.15Å; T390-I394 VanDerWaalsContact O-CG1 3.26Å; T390-I394 WeakPolarHBondContact O-CG1 3.24Å; T390-I394 PolarHBondContact O-N 2.91Å
391	W	98.4	Very high	96.3	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-56.9	-43.9	177.3	168.2	-113	0	0	0	112.5	W189 Y267 F270 M271 I274 N387 Y388 L393 I394 T395	W189-W391 HydrophobicContact CH2-CE3 4.24Å; W189-W391 HydrophobicContact CZ2-CB 4.35Å; W189-W391 HydrophobicContact CZ2-CE3 4.23Å; Y267-W391 HydrophobicContact CD2-CZ2 4.41Å; Y267-W391 AromaticContact CE2-CZ2 3.75Å; Y267-W391 HydrophobicContact CE2-CZ2 3.75Å; Y267-W391 AromaticContact CE2-NE1 3.93Å; Y267-W391 AromaticContact CZ-NE1 3.41Å; Y267-W391 PolarHBondContact OH-NE1 2.78Å; F270-W391 AromaticContact CD1-CH2 3.46Å; F270-W391 HydrophobicContact CD1-CH2 3.46Å; F270-W391 VanDerWaalsContact CD1-CH2 3.46Å; F270-W391 AromaticContact CD1-CZ2 3.74Å; F270-W391 HydrophobicContact CD1-CZ2 3.74Å; F270-W391 HydrophobicContact CD2-CH2 4.2Å; F270-W391 AromaticContact CE1-CH2 3.51Å; F270-W391 HydrophobicContact CE1-CH2 3.51Å; F270-W391 AromaticContact CE1-CZ2 3.92Å; F270-W391 HydrophobicContact CE1-CZ2 3.92Å; F270-W391 HydrophobicContact CE2-CH2 4.24Å; F270-W391 AromaticContact CG-CH2 3.82Å; F270-W391 HydrophobicContact CG-CH2 3.82Å; F270-W391 HydrophobicContact CG-CZ2 4.39Å; F270-W391 AromaticContact CZ-CH2 3.91Å; F270-W391 HydrophobicContact CZ-CH2 3.91Å; M271-W391 HydrophobicContact CB-CD2 4.44Å; M271-W391 HydrophobicContact CB-CH2 4.3Å; M271-W391 HydrophobicContact CB-CZ2 4.22Å; M271-W391 HydrophobicContact CB-CZ3 4.47Å; M271-W391 HydrophobicContact CE-CG 4.5Å; M271-W391 HydrophobicContact CE-CZ2 4.5Å; M271-W391 HydrophobicContact CG-CD2 3.74Å; M271-W391 HydrophobicContact CG-CE3 4.25Å; M271-W391 HydrophobicContact CG-CG 4.27Å; M271-W391 HydrophobicContact CG-CH2 3.93Å; M271-W391 HydrophobicContact CG-CZ2 3.37Å; M271-W391 HydrophobicContact CG-CZ3 4.35Å; I274-W391 HydrophobicContact CB-CZ3 4Å; I274-W391 HydrophobicContact CG1-CZ3 4.1Å; I274-W391 HydrophobicContact CG2-CZ3 4.25Å; N387-W391 WeakPolarHBondContact O-CB 3.37Å; N387-W391 PolarHBondContact O-N 2.89Å; Y388-W391 PolarHBondContact O-N 3.29Å; W391-L393 VanDerWaalsContact C-N 3.26Å; W391-L393 PolarHBondContact O-N 3.18Å; W391-I394 PolarHBondContact O-N 3.3Å; W391-I394 VanDerWaalsContact O-N 3.13Å; W391-T395 PolarHBondContact O-N 3.29Å
392	Q	97.6	Very high	96.4	Very high	5 Å²	5	16 Å²	16	2%	0.023	8%	0.081	C	C	.	.	H	α-helix	trans	-61.3	-35	177.9	-73.3	-64.4	-36	0	0	112.3	K219 V221 Y267 E302 Y388 L389 T390 T395	K219-Q392 VanDerWaalsContact CE-C 3.49Å; K219-Q392 WeakPolarHBondContact CE-O 3.48Å; K219-Q392 PolarHBondContact NZ-O 3.43Å; V221-Q392 HydrophobicContact CB-CB 4.42Å; V221-Q392 HydrophobicContact CG2-CB 3.89Å; V221-Q392 HydrophobicContact CG2-CG 3.72Å; Y267-Q392 PolarHBondContact OH-NE2 2.88Å; E302-Q392 PolarHBondContact OE1-NE2 3.49Å; Y388-Q392 HydrophobicContact CD2-CG 3.95Å; Y388-Q392 HydrophobicContact CE1-CG 4.34Å; Y388-Q392 HydrophobicContact CE2-CG 3.56Å; Y388-Q392 HydrophobicContact CG-CG 4.49Å; Y388-Q392 WeakPolarHBondContact O-CB 3.44Å; Y388-Q392 VanDerWaalsContact O-CG 3.27Å; Y388-Q392 WeakPolarHBondContact O-CG 3.4Å; Y388-Q392 PolarHBondContact O-N 2.96Å; L389-Q392 PolarHBondContact O-N 2.54Å; T390-Q392 VanDerWaalsContact C-N 3.31Å; T390-Q392 PolarHBondContact O-N 2.73Å; Q392-T395 VanDerWaalsContact O-CG2 3.32Å; Q392-T395 WeakPolarHBondContact O-CG2 3.4Å
393	L	96.6	Very high	96.4	Very high	5 Å²	5	17.5 Å²	17.5	3%	0.026	8%	0.082	C	C	.	.	H	α-helix	trans	-71.7	-42.9	173.1	-177.8	62.9	0	0	0	111.8	L182 I186 L213 F217 K219 L389 T390 W391	L182-L393 HydrophobicContact CD1-CD2 3.97Å; L182-L393 HydrophobicContact CD2-CD2 3.97Å; L182-L393 HydrophobicContact CD2-CG 4.12Å; L182-L393 HydrophobicContact CG-CD2 3.94Å; I186-L393 HydrophobicContact CD1-CD2 3.78Å; I186-L393 HydrophobicContact CG2-CD2 4.05Å; L213-L393 HydrophobicContact CD2-CB 4.4Å; L213-L393 HydrophobicContact CD2-CD2 3.94Å; F217-L393 HydrophobicContact CB-CD1 3.8Å; F217-L393 HydrophobicContact CD2-CD2 4.39Å; F217-L393 HydrophobicContact CG-CD1 4.11Å; F217-L393 HydrophobicContact CG-CD2 4.44Å; K219-L393 HydrophobicContact CB-CD1 4.34Å; L389-L393 PolarHBondContact O-N 2.85Å; T390-L393 WeakPolarHBondContact O-CB 3.39Å; T390-L393 PolarHBondContact O-N 3.02Å; T390-L393 VanDerWaalsContact O-N 3.09Å; W391-L393 VanDerWaalsContact C-N 3.26Å; W391-L393 PolarHBondContact O-N 3.18Å
394	I	97.1	Very high	96.5	Very high	1 Å²	1	19 Å²	19	1%	0.005	9%	0.086	C	C	.	.	H	α-helix	trans	-67.1	-43.4	-175.4	-66.1	176.4	0	0	0	111.8	L179 I183 W189 I274 T390 W391 D396 R397 V398	L179-I394 HydrophobicContact CD1-CB 4.45Å; L179-I394 HydrophobicContact CD1-CD1 4.27Å; L179-I394 HydrophobicContact CD1-CG1 3.85Å; L179-I394 HydrophobicContact CD1-CG2 4.07Å; L179-I394 HydrophobicContact CD2-CG2 4.48Å; I183-I394 HydrophobicContact CD1-CD1 3.75Å; I183-I394 HydrophobicContact CG1-CD1 3.88Å; I183-I394 HydrophobicContact CG1-CG1 4.46Å; W189-I394 HydrophobicContact CD2-CD1 3.95Å; W189-I394 HydrophobicContact CE3-CD1 3.55Å; W189-I394 HydrophobicContact CH2-CD1 4.1Å; W189-I394 HydrophobicContact CZ2-CD1 4.43Å; W189-I394 HydrophobicContact CZ3-CD1 3.64Å; I274-I394 HydrophobicContact CG2-CG2 3.71Å; T390-I394 HydrophobicContact CG2-CD1 3.59Å; T390-I394 HydrophobicContact CG2-CG1 4.15Å; T390-I394 VanDerWaalsContact O-CG1 3.26Å; T390-I394 WeakPolarHBondContact O-CG1 3.24Å; T390-I394 PolarHBondContact O-N 2.91Å; W391-I394 PolarHBondContact O-N 3.3Å; W391-I394 VanDerWaalsContact O-N 3.13Å; I394-D396 PolarHBondContact O-N 3.34Å; I394-D396 VanDerWaalsContact O-N 3.08Å; I394-R397 WeakPolarHBondContact O-CA 3.29Å; I394-R397 PolarHBondContact O-N 2.99Å; I394-V398 HydrophobicContact CG2-CG2 4.18Å; I394-V398 PolarHBondContact O-N 2.74Å
395	T	95.1	Very high	96.4	Very high	5 Å²	5	18.3 Å²	18.3	3%	0.031	8%	0.082	C	C	.	.	H	α-helix	trans	-54.5	-34.6	-174.1	-178.7	0	0	0	0	112.9	W391 Q392	W391-T395 PolarHBondContact O-N 3.29Å; Q392-T395 VanDerWaalsContact O-CG2 3.32Å; Q392-T395 WeakPolarHBondContact O-CG2 3.4Å
396	D	91.6	Very high	96.3	Very high	66 Å²	66	19.2 Å²	19.2	35%	0.353	9%	0.085	S	C	.	.	H	α-helix	trans	-78.4	-23.4	179.4	-62.6	-26.3	0	0	0	112.4	K219 I394	K219-D396 IonicContact NZ-OD2 2.8Å; K219-D396 PolarHBondContact NZ-OD2 3.37Å; I394-D396 PolarHBondContact O-N 3.34Å; I394-D396 VanDerWaalsContact O-N 3.08Å
397	R	94.9	Very high	96.2	Very high	40 Å²	40	23 Å²	23	15%	0.151	11%	0.105	C	C	.	.	H	α-helix	trans	-90.7	-14.1	-176.2	-62.8	-57.1	95.1	-117	-0.1	114.6	L182 I394 N399 S400 F527	L182-R397 HydrophobicContact CD2-CG 4.18Å; I394-R397 WeakPolarHBondContact O-CA 3.29Å; I394-R397 PolarHBondContact O-N 2.99Å; R397-N399 PolarHBondContact O-N 3.41Å; R397-S400 PolarHBondContact NH1-OG 3.3Å; R397-S400 VanDerWaalsContact NH1-OG 3.08Å; R397-S400 WeakPolarHBondContact O-CB 3.26Å; R397-S400 PolarHBondContact O-N 3.22Å; R397-F527 HydrophobicContact CB-CE2 3.89Å; R397-F527 HydrophobicContact CB-CZ 4.03Å; R397-F527 HydrophobicContact CG-CE2 4.42Å; R397-F527 HydrophobicContact CG-CZ 4.19Å
398	V	95.2	Very high	96.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-54.2	-36.9	-179	164.8	0	0	0	0	113.3	F270 I274 I394 S400 L401 F405 R409	F270-V398 HydrophobicContact CE2-CG1 4.06Å; F270-V398 HydrophobicContact CE2-CG2 4.13Å; F270-V398 HydrophobicContact CZ-CB 4.13Å; F270-V398 HydrophobicContact CZ-CG1 4.02Å; F270-V398 HydrophobicContact CZ-CG2 3.82Å; I274-V398 HydrophobicContact CD1-CG1 4.42Å; I274-V398 HydrophobicContact CD1-CG2 3.79Å; I274-V398 HydrophobicContact CG1-CG2 4.31Å; I394-V398 HydrophobicContact CG2-CG2 4.18Å; I394-V398 PolarHBondContact O-N 2.74Å; V398-S400 PolarHBondContact O-N 3.19Å; V398-L401 PolarHBondContact O-N 2.8Å; V398-F405 HydrophobicContact CG1-CB 4.14Å; V398-F405 WeakPolarHBondContact CG1-O 3.48Å; V398-R409 HydrophobicContact CG1-CB 4.14Å
399	N	92.1	Very high	95.9	Very high	53 Å²	53	25.8 Å²	25.8	28%	0.283	12%	0.121	S	C	.	.	G	3₁₀ helix	trans	-71.5	-9	179.9	-71.1	9.1	0	0	0	113.8	R397 K406 R409	R397-N399 PolarHBondContact O-N 3.41Å; N399-K406 WeakPolarHBondContact O-CE 3.31Å; N399-R409 PolarHBondContact ND2-NH1 3.27Å; N399-R409 WeakPolarHBondContact OD1-CD 3.39Å; N399-R409 PolarHBondContact OD1-NH1 3.05Å
400	S	94.6	Very high	95.8	Very high	9 Å²	9	27.1 Å²	27.1	6%	0.063	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-104.4	10.1	-178.1	-49	0	0	0	0	112.8	R397 V398 I530	R397-S400 PolarHBondContact NH1-OG 3.3Å; R397-S400 VanDerWaalsContact NH1-OG 3.08Å; R397-S400 WeakPolarHBondContact O-CB 3.26Å; R397-S400 PolarHBondContact O-N 3.22Å; V398-S400 PolarHBondContact O-N 3.19Å; S400-I530 WeakPolarHBondContact OG-CD1 3.48Å
401	L	96.9	Very high	95.6	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.016	16%	0.157	C	C	.	.	S	Bend	trans	-112.5	-178.3	179.9	-62	171.5	0	0	0	110.5	P178 L179 V398 F405 F527	P178-L401 HydrophobicContact CG-CD2 3.86Å; L179-L401 HydrophobicContact CB-CD1 3.9Å; L179-L401 HydrophobicContact CB-CD2 4.05Å; L179-L401 HydrophobicContact CD1-CD1 4.44Å; L179-L401 HydrophobicContact CD2-CD1 3.73Å; L179-L401 HydrophobicContact CG-CD1 4.23Å; V398-L401 PolarHBondContact O-N 2.8Å; L401-F405 HydrophobicContact CB-CB 3.84Å; L401-F405 HydrophobicContact CB-CD2 3.79Å; L401-F405 HydrophobicContact CB-CG 3.84Å; L401-F405 HydrophobicContact CD1-CB 4.25Å; L401-F405 HydrophobicContact CD1-CD1 3.75Å; L401-F405 HydrophobicContact CD1-CD2 4.18Å; L401-F405 HydrophobicContact CD1-CE1 4.13Å; L401-F405 HydrophobicContact CD1-CG 3.79Å; L401-F405 HydrophobicContact CG-CG 4.48Å; L401-F527 HydrophobicContact CD2-CD2 3.67Å; L401-F527 HydrophobicContact CD2-CE2 3.57Å; L401-F527 HydrophobicContact CG-CD2 4.35Å; L401-F527 HydrophobicContact CG-CE2 4.04Å
402	S	96.9	Very high	95.5	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.014	16%	0.158	C	C	.	.			trans	-60.4	166.5	178.4	68.3	0	0	0	0	113.6	E172 D175 R404 F405 K406	E172-S402 WeakPolarHBondContact OE1-CA 3.4Å; E172-S402 WeakPolarHBondContact OE2-CB 3.42Å; D175-S402 WeakPolarHBondContact OD1-CB 3.42Å; D175-S402 PolarHBondContact OD1-OG 2.88Å; S402-R404 VanDerWaalsContact C-N 3.26Å; S402-R404 PolarHBondContact O-N 3.21Å; S402-R404 VanDerWaalsContact O-N 3.14Å; S402-F405 WeakPolarHBondContact O-CB 3.47Å; S402-F405 PolarHBondContact O-N 3.23Å; S402-F405 WeakPolarHBondContact OG-CD2 3.44Å; S402-K406 PolarHBondContact O-N 2.79Å
403	R	95.7	Very high	95.5	Very high	108 Å²	108	35.2 Å²	35.2	41%	0.408	16%	0.162	S	C	.	.	H	α-helix	trans	-51.1	-40.5	-175.7	-172.7	71.6	-153.2	165.6	12.9	113.4	E172 F405 K406 D407 E422	E172-R403 WeakPolarHBondContact OE1-CB 3.48Å; E172-R403 PolarHBondContact OE1-N 3.46Å; E172-R403 PolarHBondContact OE2-N 3.05Å; R403-F405 VanDerWaalsContact C-N 3.27Å; R403-F405 PolarHBondContact O-N 2.88Å; R403-K406 WeakPolarHBondContact O-CB 3.35Å; R403-K406 PolarHBondContact O-N 2.95Å; R403-K406 VanDerWaalsContact O-N 3.16Å; R403-D407 IonicContact CZ-OD1 3.78Å; R403-D407 VanDerWaalsContact CZ-OD1 3.27Å; R403-D407 IonicContact NE-OD1 3.83Å; R403-D407 PolarHBondContact NE-OD1 3.32Å; R403-D407 IonicContact NE-OD2 3.65Å; R403-D407 IonicContact NH2-OD1 3.73Å; R403-D407 PolarHBondContact NH2-OD1 3.27Å; R403-D407 WeakPolarHBondContact O-CB 3.39Å; R403-D407 VanDerWaalsContact O-CG 3.26Å; R403-D407 PolarHBondContact O-N 2.85Å; R403-E422 IonicContact CZ-OE2 2.77Å; R403-E422 IonicContact NH1-OE2 3.17Å; R403-E422 PolarHBondContact NH1-OE2 3.36Å; R403-E422 IonicContact NH2-OE2 3.31Å; R403-E422 PolarHBondContact NH2-OE2 3.09Å
404	R	96.6	Very high	95.4	Very high	76 Å²	76	40.3 Å²	40.3	29%	0.287	18%	0.184	S	C	.	.	H	α-helix	trans	-64	-30.5	-178.1	64.9	177.7	176.9	145.7	4	113.3	D175 D281 S402 A408	D175-R404 VanDerWaalsContact CG-NH2 3.25Å; D175-R404 IonicContact OD1-CZ 2.87Å; D175-R404 IonicContact OD1-NE 2.76Å; D175-R404 PolarHBondContact OD1-NE 3.35Å; D175-R404 IonicContact OD1-NH2 3.44Å; D175-R404 PolarHBondContact OD1-NH2 2.93Å; D175-R404 IonicContact OD2-CZ 2.92Å; D175-R404 IonicContact OD2-NE 3.97Å; D175-R404 PolarHBondContact OD2-NE 3.48Å; D175-R404 IonicContact OD2-NH2 3.47Å; D175-R404 PolarHBondContact OD2-NH2 2.96Å; D281-R404 IonicContact OD1-CZ 3.56Å; D281-R404 VanDerWaalsContact OD1-CZ 3.32Å; D281-R404 IonicContact OD1-NH1 2.66Å; D281-R404 PolarHBondContact OD1-NH1 3.02Å; D281-R404 IonicContact OD1-NH2 2.89Å; D281-R404 PolarHBondContact OD1-NH2 3.03Å; D281-R404 IonicContact OD2-CZ 3.66Å; D281-R404 IonicContact OD2-NH1 3.61Å; D281-R404 IonicContact OD2-NH2 3.02Å; D281-R404 PolarHBondContact OD2-NH2 3.1Å; S402-R404 VanDerWaalsContact C-N 3.26Å; S402-R404 PolarHBondContact O-N 3.21Å; S402-R404 VanDerWaalsContact O-N 3.14Å; R404-A408 PolarHBondContact O-N 3.16Å; R404-A408 VanDerWaalsContact O-N 3.16Å
405	F	97.1	Very high	95.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-72.4	-44.3	173.9	-71.3	-87.6	0	0	0	111	D175 L179 I274 I277 V398 L401 S402 R403 D407 A408 R409	D175-F405 WeakPolarHBondContact OD1-CE2 3.4Å; L179-F405 HydrophobicContact CD2-CD1 4.25Å; L179-F405 HydrophobicContact CD2-CE1 3.58Å; L179-F405 HydrophobicContact CD2-CZ 4.14Å; I274-F405 HydrophobicContact CD1-CD1 3.72Å; I274-F405 HydrophobicContact CD1-CE1 4.45Å; I277-F405 HydrophobicContact CB-CE1 4.37Å; I277-F405 HydrophobicContact CG2-CD1 4.45Å; I277-F405 HydrophobicContact CG2-CE1 3.6Å; I277-F405 HydrophobicContact CG2-CE2 4.06Å; I277-F405 HydrophobicContact CG2-CZ 3.35Å; V398-F405 HydrophobicContact CG1-CB 4.14Å; V398-F405 WeakPolarHBondContact CG1-O 3.48Å; L401-F405 HydrophobicContact CB-CB 3.84Å; L401-F405 HydrophobicContact CB-CD2 3.79Å; L401-F405 HydrophobicContact CB-CG 3.84Å; L401-F405 HydrophobicContact CD1-CB 4.25Å; L401-F405 HydrophobicContact CD1-CD1 3.75Å; L401-F405 HydrophobicContact CD1-CD2 4.18Å; L401-F405 HydrophobicContact CD1-CE1 4.13Å; L401-F405 HydrophobicContact CD1-CG 3.79Å; L401-F405 HydrophobicContact CG-CG 4.48Å; S402-F405 WeakPolarHBondContact O-CB 3.47Å; S402-F405 PolarHBondContact O-N 3.23Å; S402-F405 WeakPolarHBondContact OG-CD2 3.44Å; R403-F405 VanDerWaalsContact C-N 3.27Å; R403-F405 PolarHBondContact O-N 2.88Å; F405-D407 VanDerWaalsContact C-N 3.31Å; F405-D407 PolarHBondContact O-N 3.34Å; F405-A408 WeakPolarHBondContact O-CB 3.45Å; F405-A408 PolarHBondContact O-N 2.94Å; F405-R409 PolarHBondContact O-N 3Å
406	K	94.5	Very high	95.3	Very high	28 Å²	28	41 Å²	41	12%	0.122	19%	0.19	C	C	.	.	H	α-helix	trans	-58.7	-43.3	174.2	-64	-170.5	-178.8	-163.8	0	111.8	N399 S402 R403 A408 R409 A410 E428	N399-K406 WeakPolarHBondContact O-CE 3.31Å; S402-K406 PolarHBondContact O-N 2.79Å; R403-K406 WeakPolarHBondContact O-CB 3.35Å; R403-K406 PolarHBondContact O-N 2.95Å; R403-K406 VanDerWaalsContact O-N 3.16Å; K406-A408 VanDerWaalsContact C-N 3.33Å; K406-A408 PolarHBondContact O-N 3.39Å; K406-R409 WeakPolarHBondContact O-CB 3.5Å; K406-R409 PolarHBondContact O-N 3.06Å; K406-R409 VanDerWaalsContact O-N 3.07Å; K406-A410 PolarHBondContact O-N 3.45Å; K406-E428 IonicContact NZ-OE2 2.77Å
407	D	95.4	Very high	95.5	Very high	79 Å²	79	41.1 Å²	41.1	42%	0.422	19%	0.186	S	C	.	.	H	α-helix	trans	-64.6	-35.7	178.3	-70.5	-19.9	0	0	0	112.2	R403 F405 R409 A410	R403-D407 IonicContact CZ-OD1 3.78Å; R403-D407 VanDerWaalsContact CZ-OD1 3.27Å; R403-D407 IonicContact NE-OD1 3.83Å; R403-D407 PolarHBondContact NE-OD1 3.32Å; R403-D407 IonicContact NE-OD2 3.65Å; R403-D407 IonicContact NH2-OD1 3.73Å; R403-D407 PolarHBondContact NH2-OD1 3.27Å; R403-D407 WeakPolarHBondContact O-CB 3.39Å; R403-D407 VanDerWaalsContact O-CG 3.26Å; R403-D407 PolarHBondContact O-N 2.85Å; F405-D407 VanDerWaalsContact C-N 3.31Å; F405-D407 PolarHBondContact O-N 3.34Å; D407-R409 PolarHBondContact O-N 3.41Å; D407-A410 VanDerWaalsContact O-CB 3.27Å; D407-A410 WeakPolarHBondContact O-CB 3.33Å; D407-A410 PolarHBondContact O-N 3.2Å; D407-A410 VanDerWaalsContact O-N 3.08Å
408	A	96.6	Very high	95.5	Very high	21 Å²	21	39.4 Å²	39.4	17%	0.174	18%	0.18	C	C	.	.	H	α-helix	trans	-61.1	-28.2	173.7	0	0	0	0	0	112.9	F270 I274 I277 R404 F405 K406	F270-A408 HydrophobicContact CD2-CB 4.48Å; F270-A408 WeakPolarHBondContact CD2-O 3.45Å; I274-A408 HydrophobicContact CD1-CB 3.91Å; I274-A408 HydrophobicContact CG1-CB 4.46Å; I277-A408 HydrophobicContact CD1-CB 4.22Å; R404-A408 PolarHBondContact O-N 3.16Å; R404-A408 VanDerWaalsContact O-N 3.16Å; F405-A408 WeakPolarHBondContact O-CB 3.45Å; F405-A408 PolarHBondContact O-N 2.94Å; K406-A408 VanDerWaalsContact C-N 3.33Å; K406-A408 PolarHBondContact O-N 3.39Å
409	R	95.8	Very high	95.5	Very high	41 Å²	41	39.7 Å²	39.7	16%	0.155	18%	0.182	C	C	.	.	H	α-helix	trans	-82.4	-19.7	175.8	-168.7	177.1	179.8	173.8	5.8	113.4	F270 V398 N399 F405 K406 D407 R411 Y412 R413	F270-R409 HydrophobicContact CD2-CB 4.22Å; F270-R409 HydrophobicContact CE1-CG 4.05Å; F270-R409 HydrophobicContact CE2-CB 3.67Å; F270-R409 HydrophobicContact CE2-CG 4.12Å; F270-R409 HydrophobicContact CZ-CB 3.85Å; F270-R409 HydrophobicContact CZ-CG 3.8Å; V398-R409 HydrophobicContact CG1-CB 4.14Å; N399-R409 PolarHBondContact ND2-NH1 3.27Å; N399-R409 WeakPolarHBondContact OD1-CD 3.39Å; N399-R409 PolarHBondContact OD1-NH1 3.05Å; F405-R409 PolarHBondContact O-N 3Å; K406-R409 WeakPolarHBondContact O-CB 3.5Å; K406-R409 PolarHBondContact O-N 3.06Å; K406-R409 VanDerWaalsContact O-N 3.07Å; D407-R409 PolarHBondContact O-N 3.41Å; R409-R411 VanDerWaalsContact C-N 3.31Å; R409-R411 PolarHBondContact O-N 3.17Å; R409-R411 VanDerWaalsContact O-N 3.16Å; R409-Y412 PolarHBondContact O-N 2.87Å; R409-R413 PolarHBondContact O-N 3.42Å
410	A	94.6	Very high	95.4	Very high	28 Å²	28	39.8 Å²	39.8	23%	0.231	19%	0.185	C	C	.	.	H	α-helix	trans	-55.9	-41	-167.5	0	0	0	0	0	113.6	K406 D407 K414	K406-A410 PolarHBondContact O-N 3.45Å; D407-A410 VanDerWaalsContact O-CB 3.27Å; D407-A410 WeakPolarHBondContact O-CB 3.33Å; D407-A410 PolarHBondContact O-N 3.2Å; D407-A410 VanDerWaalsContact O-N 3.08Å; A410-K414 WeakPolarHBondContact O-CB 3.4Å; A410-K414 PolarHBondContact O-N 2.96Å
411	R	95.3	Very high	95.2	Very high	140 Å²	140	43.1 Å²	43.1	53%	0.528	21%	0.205	S	C	.	.	H	α-helix	trans	-64.9	-42.3	177.6	-174.8	178.3	176.3	-167.2	-5.3	112.1	A266 H269 R409 A415	A266-R411 HydrophobicContact CB-CG 4.22Å; H269-R411 PolarHBondContact CD2-NH1 3.38Å; H269-R411 PolarHBondContact NE2-NH1 3.12Å; R409-R411 VanDerWaalsContact C-N 3.31Å; R409-R411 PolarHBondContact O-N 3.17Å; R409-R411 VanDerWaalsContact O-N 3.16Å; R411-A415 WeakPolarHBondContact O-CB 3.1Å; R411-A415 PolarHBondContact O-N 3.35Å
412	Y	96.5	Very high	94.8	Very high	7 Å²	7	44.1 Å²	44.1	3%	0.027	21%	0.209	C	C	.	.	H	α-helix	trans	-67	-46.6	177.4	178.2	-124.9	0	0	0	111.4	G247 M248 V263 A266 Y267 F270 R409 K414 A415 L416	G247-Y412 PolarHBondContact O-OH 3.01Å; M248-Y412 HydrophobicContact CG-CE2 4.35Å; M248-Y412 WeakPolarHBondContact CG-OH 3.46Å; V263-Y412 HydrophobicContact CG1-CD2 4.39Å; V263-Y412 HydrophobicContact CG1-CE2 3.8Å; A266-Y412 HydrophobicContact CB-CD2 4.31Å; Y267-Y412 HydrophobicContact CD2-CD1 4.22Å; Y267-Y412 HydrophobicContact CD2-CD2 4.1Å; Y267-Y412 AromaticContact CD2-CE1 3.72Å; Y267-Y412 HydrophobicContact CD2-CE1 3.72Å; Y267-Y412 AromaticContact CD2-CE2 3.6Å; Y267-Y412 HydrophobicContact CD2-CE2 3.6Å; Y267-Y412 HydrophobicContact CD2-CG 4.39Å; Y267-Y412 AromaticContact CD2-CZ 3.36Å; Y267-Y412 HydrophobicContact CE2-CE1 4.12Å; Y267-Y412 AromaticContact CE2-CZ 3.97Å; Y267-Y412 HydrophobicContact CG-CD2 4.44Å; Y267-Y412 AromaticContact CG-CE2 3.92Å; Y267-Y412 HydrophobicContact CG-CE2 3.92Å; F270-Y412 AromaticContact CD1-CD1 3.8Å; F270-Y412 HydrophobicContact CD1-CD1 3.8Å; F270-Y412 HydrophobicContact CD1-CE1 4.44Å; F270-Y412 HydrophobicContact CD1-CG 4.29Å; F270-Y412 HydrophobicContact CE1-CD1 4.23Å; R409-Y412 PolarHBondContact O-N 2.87Å; Y412-K414 VanDerWaalsContact C-N 3.34Å; Y412-K414 PolarHBondContact O-N 3.05Å; Y412-A415 PolarHBondContact O-N 3.11Å; Y412-L416 HydrophobicContact CD1-CD1 4.24Å; Y412-L416 HydrophobicContact CD2-CD1 4.2Å; Y412-L416 HydrophobicContact CD2-CG 4.31Å; Y412-L416 HydrophobicContact CE1-CD1 3.65Å; Y412-L416 HydrophobicContact CE2-CD1 3.57Å; Y412-L416 HydrophobicContact CE2-CG 3.86Å; Y412-L416 HydrophobicContact CG-CD1 4.5Å; Y412-L416 PolarHBondContact O-N 3.5Å; Y412-L416 WeakPolarHBondContact OH-CD1 3.49Å
413	R	95.5	Very high	94.4	Very high	28 Å²	28	45.5 Å²	45.5	11%	0.106	22%	0.217	C	C	.	.	H	α-helix	trans	-54.2	-49.9	174.3	-177.6	-173.1	63.4	-125	4.7	111.2	R409 A415 L416 Y417 T419 E422	R409-R413 PolarHBondContact O-N 3.42Å; R413-A415 PolarHBondContact O-N 3.15Å; R413-L416 PolarHBondContact O-N 3.16Å; R413-Y417 HydrophobicContact CG-CD2 3.94Å; R413-Y417 WeakPolarHBondContact O-CB 3.27Å; R413-Y417 WeakPolarHBondContact O-CD2 3.38Å; R413-Y417 PolarHBondContact O-N 3.42Å; R413-T419 WeakPolarHBondContact CD-OG1 3.34Å; R413-T419 WeakPolarHBondContact CG-OG1 3.39Å; R413-E422 IonicContact CZ-OE1 2.63Å; R413-E422 IonicContact NH1-OE1 3.73Å; R413-E422 PolarHBondContact NH1-OE1 3.12Å
414	K	95.8	Very high	94.3	Very high	111 Å²	111	42.6 Å²	42.6	48%	0.483	22%	0.216	S	C	.	.	H	α-helix	trans	-61.9	-42.4	179.6	-176.5	175.7	178.9	174.4	0	112.3	A410 Y412 L416 G418 T419 T420	A410-K414 WeakPolarHBondContact O-CB 3.4Å; A410-K414 PolarHBondContact O-N 2.96Å; Y412-K414 VanDerWaalsContact C-N 3.34Å; Y412-K414 PolarHBondContact O-N 3.05Å; K414-L416 VanDerWaalsContact C-N 3.28Å; K414-L416 PolarHBondContact O-N 3.23Å; K414-G418 VanDerWaalsContact O-CA 3.22Å; K414-G418 WeakPolarHBondContact O-CA 3.42Å; K414-G418 PolarHBondContact O-N 3.08Å; K414-T419 WeakPolarHBondContact CA-O 3.16Å; K414-T419 WeakPolarHBondContact CB-O 3.47Å; K414-T420 HydrophobicContact CD-CG2 4.4Å
415	A	96.1	Very high	94.1	Very high	19 Å²	19	40.4 Å²	40.4	16%	0.157	21%	0.212	C	C	.	.	H	α-helix	trans	-64.4	-33.4	179.3	0	0	0	0	0	112.7	V263 A266 R411 Y412 R413	V263-A415 HydrophobicContact CG2-CB 3.85Å; V263-A415 VanDerWaalsContact CG2-O 3.31Å; V263-A415 WeakPolarHBondContact CG2-O 3.17Å; A266-A415 HydrophobicContact CB-CB 4Å; R411-A415 WeakPolarHBondContact O-CB 3.1Å; R411-A415 PolarHBondContact O-N 3.35Å; Y412-A415 PolarHBondContact O-N 3.11Å; R413-A415 PolarHBondContact O-N 3.15Å
416	L	94	Very high	94.2	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.016	22%	0.22	C	C	.	.	H	α-helix	trans	-81.3	-46	178.5	-83	-179.7	0	0	0	114	P249 Y253 V263 Y412 R413 K414 E720	P249-L416 HydrophobicContact CG-CD1 4.29Å; P249-L416 HydrophobicContact CG-CD2 3.62Å; Y253-L416 HydrophobicContact CE1-CD2 3.82Å; V263-L416 HydrophobicContact CB-CD2 4.43Å; V263-L416 HydrophobicContact CG1-CD2 3.44Å; V263-L416 VanDerWaalsContact CG1-CD2 3.44Å; V263-L416 HydrophobicContact CG1-CG 3.9Å; V263-L416 HydrophobicContact CG2-CD2 4.13Å; Y412-L416 HydrophobicContact CD1-CD1 4.24Å; Y412-L416 HydrophobicContact CD2-CD1 4.2Å; Y412-L416 HydrophobicContact CD2-CG 4.31Å; Y412-L416 HydrophobicContact CE1-CD1 3.65Å; Y412-L416 HydrophobicContact CE2-CD1 3.57Å; Y412-L416 HydrophobicContact CE2-CG 3.86Å; Y412-L416 HydrophobicContact CG-CD1 4.5Å; Y412-L416 PolarHBondContact O-N 3.5Å; Y412-L416 WeakPolarHBondContact OH-CD1 3.49Å; R413-L416 PolarHBondContact O-N 3.16Å; K414-L416 VanDerWaalsContact C-N 3.28Å; K414-L416 PolarHBondContact O-N 3.23Å; L416-E720 CarbonylContact O-C 3.43Å
417	Y	94.8	Very high	94.3	Very high	68 Å²	68	43.2 Å²	43.2	27%	0.267	22%	0.222	S	C	.	.	H	α-helix	trans	-113.8	-12.9	-163.9	-63.4	-60.9	0	0	0	113.1	S124 R413 T419 Y721	S124-Y417 WeakPolarHBondContact CB-O 3.46Å; S124-Y417 WeakPolarHBondContact OG-CB 3Å; R413-Y417 HydrophobicContact CG-CD2 3.94Å; R413-Y417 WeakPolarHBondContact O-CB 3.27Å; R413-Y417 WeakPolarHBondContact O-CD2 3.38Å; R413-Y417 PolarHBondContact O-N 3.42Å; Y417-T419 PolarHBondContact O-N 3.31Å; Y417-Y721 AromaticContact CD1-CD2 3.83Å; Y417-Y721 HydrophobicContact CD1-CD2 3.83Å; Y417-Y721 HydrophobicContact CD1-CE2 4.25Å; Y417-Y721 HydrophobicContact CE1-CD2 4.33Å; Y417-Y721 HydrophobicContact CE1-CE2 4.38Å
418	G	95.6	Very high	94.2	Very high	3 Å²	3	41.9 Å²	41.9	3%	0.031	21%	0.213	C	C	.	.			trans	72.8	1	-174.7	0	0	0	0	0	114	K414 R718	K414-G418 VanDerWaalsContact O-CA 3.22Å; K414-G418 WeakPolarHBondContact O-CA 3.42Å; K414-G418 PolarHBondContact O-N 3.08Å; G418-R718 WeakPolarHBondContact O-CD 3.45Å
419	T	95	Very high	94.3	Very high	6 Å²	6	41 Å²	41	4%	0.037	21%	0.205	C	C	.	.			trans	-78.9	132.8	-178.4	56.5	0	0	0	0	111.2	E121 T122 S123 R413 K414 Y417	E121-T419 WeakPolarHBondContact O-CA 3.49Å; T122-T419 VanDerWaalsContact O-CG2 3.31Å; T122-T419 WeakPolarHBondContact O-CG2 3.29Å; S123-T419 VanDerWaalsContact C-CG2 3.41Å; R413-T419 WeakPolarHBondContact CD-OG1 3.34Å; R413-T419 WeakPolarHBondContact CG-OG1 3.39Å; K414-T419 WeakPolarHBondContact CA-O 3.16Å; K414-T419 WeakPolarHBondContact CB-O 3.47Å; Y417-T419 PolarHBondContact O-N 3.31Å
420	T	90.6	Very high	94.4	Very high	56 Å²	56	39 Å²	39	34%	0.344	20%	0.198	S	C	.	.			trans	-101.6	-24	-175.3	60.6	0	0	0	0	112	E121 K414	E121-T420 PolarHBondContact O-N 3.25Å; E121-T420 WeakPolarHBondContact OE2-CG2 3.36Å; E121-T420 PolarHBondContact OE2-OG1 3.07Å; K414-T420 HydrophobicContact CD-CG2 4.4Å
421	V	91.2	Very high	94.6	Very high	79 Å²	79	41.9 Å²	41.9	48%	0.479	20%	0.203	S	C	.	.	S	Bend	trans	-124.3	151	-178.5	-172	0	0	0	0	109.1	E121 T122	E121-V421 HydrophobicContact CB-CB 4.43Å; E121-V421 HydrophobicContact CB-CG2 4.13Å; E121-V421 PolarHBondContact O-N 3.42Å; T122-V421 HydrophobicContact CG2-CB 4.02Å; T122-V421 HydrophobicContact CG2-CG1 4.19Å
422	E	87.5	Confident	94.7	Very high	23 Å²	23	37.2 Å²	37.2	11%	0.107	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-77.7	154.3	171.3	-71.5	177.6	160.1	0	0	110.7	T122 R403 R413	T122-E422 WeakPolarHBondContact CG2-O 3.47Å; R403-E422 IonicContact CZ-OE2 2.77Å; R403-E422 IonicContact NH1-OE2 3.17Å; R403-E422 PolarHBondContact NH1-OE2 3.36Å; R403-E422 IonicContact NH2-OE2 3.31Å; R403-E422 PolarHBondContact NH2-OE2 3.09Å; R413-E422 IonicContact CZ-OE1 2.63Å; R413-E422 IonicContact NH1-OE1 3.73Å; R413-E422 PolarHBondContact NH1-OE1 3.12Å
423	D	88	Confident	94.7	Very high	32 Å²	32	36.9 Å²	36.9	17%	0.171	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-60.6	157.4	170.6	-83.3	-36.2	0	0	0	110.3	T122 S425 R427 E428 R431	T122-D423 WeakPolarHBondContact CB-OD1 3.22Å; T122-D423 PolarHBondContact OG1-OD1 2.61Å; D423-S425 PolarHBondContact O-N 2.89Å; D423-R427 HydrophobicContact CB-CB 4.4Å; D423-E428 HydrophobicContact CB-CG 4.22Å; D423-R431 IonicContact OD2-CZ 2.61Å; D423-R431 IonicContact OD2-NH1 2.67Å; D423-R431 PolarHBondContact OD2-NH1 2.86Å; D423-R431 IonicContact OD2-NH2 3Å
424	A	94	Very high	94.8	Very high	47 Å²	47	37.4 Å²	37.4	39%	0.388	19%	0.188	S	C	.	.	P	Polyproline II helix	trans	-58.5	134.3	170.7	0	0	0	0	0	109	W426 R427 E428	A424-W426 HydrophobicContact CB-CG 4.46Å; A424-W426 PolarHBondContact O-N 2.84Å; A424-R427 WeakPolarHBondContact O-CA 3.42Å; A424-R427 WeakPolarHBondContact O-CB 3.39Å; A424-R427 PolarHBondContact O-N 3.02Å; A424-E428 PolarHBondContact O-N 3.32Å
425	S	93.4	Very high	94.8	Very high	29 Å²	29	36.2 Å²	36.2	20%	0.203	19%	0.194	C	C	.	.	H	α-helix	trans	-55.4	-34	-172.2	-48.2	0	0	0	0	113.4	E168 D423 R427 E428 C429	E168-S425 WeakPolarHBondContact OE1-CB 3.49Å; E168-S425 PolarHBondContact OE1-OG 3.08Å; D423-S425 PolarHBondContact O-N 2.89Å; S425-R427 VanDerWaalsContact C-N 3.27Å; S425-R427 PolarHBondContact O-N 2.68Å; S425-E428 PolarHBondContact O-N 2.9Å; S425-C429 WeakPolarHBondContact O-CB 3.44Å; S425-C429 PolarHBondContact O-N 3.3Å; S425-C429 PolarHBondContact O-SG 2.76Å
426	W	97.3	Very high	94.8	Very high	47 Å²	47	36.8 Å²	36.8	18%	0.178	20%	0.196	C	C	.	.	H	α-helix	trans	-60.6	-32.9	174.4	74	-99.8	0	0	0	113.6	E137 I138 K141 M166 A424 V430	E137-W426 HydrophobicContact CB-CH2 4.4Å; E137-W426 HydrophobicContact CB-CZ3 4.05Å; I138-W426 HydrophobicContact CG1-CH2 3.85Å; K141-W426 HydrophobicContact CB-CE3 3.76Å; K141-W426 HydrophobicContact CB-CZ3 3.8Å; K141-W426 HydrophobicContact CD-CD2 3.61Å; K141-W426 HydrophobicContact CD-CE3 3.55Å; K141-W426 HydrophobicContact CD-CG 4.09Å; K141-W426 HydrophobicContact CD-CH2 4.32Å; K141-W426 HydrophobicContact CD-CZ2 4.38Å; K141-W426 HydrophobicContact CD-CZ3 3.92Å; K141-W426 HydrophobicContact CG-CD2 4.25Å; K141-W426 HydrophobicContact CG-CE3 3.8Å; K141-W426 HydrophobicContact CG-CZ3 4.26Å; M166-W426 HydrophobicContact CE-CB 3.84Å; M166-W426 WeakPolarHBondContact SD-CA 3.43Å; M166-W426 HydrophobicContact SD-CB 3.68Å; A424-W426 HydrophobicContact CB-CG 4.46Å; A424-W426 PolarHBondContact O-N 2.84Å; W426-V430 HydrophobicContact CE3-CG2 3.99Å; W426-V430 HydrophobicContact CZ3-CG2 4.38Å; W426-V430 WeakPolarHBondContact O-CB 3.41Å; W426-V430 WeakPolarHBondContact O-CG2 3.43Å; W426-V430 PolarHBondContact O-N 3.12Å
427	R	96.8	Very high	95	Very high	41 Å²	41	36.7 Å²	36.7	16%	0.155	20%	0.196	C	C	.	.	H	α-helix	trans	-69.4	-44.8	175.5	-68.1	-172.2	178.2	-79.6	2.6	110.7	D134 E137 D423 A424 S425 C429 V430 R431	D134-R427 PolarHBondContact O-NH1 3.23Å; D134-R427 IonicContact OD1-NH1 3.95Å; E137-R427 WeakPolarHBondContact OE2-CD 3.46Å; E137-R427 WeakPolarHBondContact OE2-CG 3.35Å; E137-R427 IonicContact OE2-CZ 3.53Å; E137-R427 IonicContact OE2-NH1 3.17Å; E137-R427 PolarHBondContact OE2-NH1 2.82Å; D423-R427 HydrophobicContact CB-CB 4.4Å; A424-R427 WeakPolarHBondContact O-CA 3.42Å; A424-R427 WeakPolarHBondContact O-CB 3.39Å; A424-R427 PolarHBondContact O-N 3.02Å; S425-R427 VanDerWaalsContact C-N 3.27Å; S425-R427 PolarHBondContact O-N 2.68Å; R427-C429 VanDerWaalsContact C-N 3.3Å; R427-C429 PolarHBondContact O-N 2.05Å; R427-V430 PolarHBondContact O-N 2.82Å; R427-R431 WeakPolarHBondContact O-CB 3.31Å; R427-R431 VanDerWaalsContact O-CG 3.32Å; R427-R431 WeakPolarHBondContact O-CG 3.4Å; R427-R431 PolarHBondContact O-N 2.64Å
428	E	94.9	Very high	95	Very high	50 Å²	50	36.2 Å²	36.2	23%	0.234	20%	0.196	C	C	.	.	H	α-helix	trans	-58	-45.7	175.1	-60	-171.2	157.1	0	0	110.6	K406 D423 A424 S425 R431 Y432	K406-E428 IonicContact NZ-OE2 2.77Å; D423-E428 HydrophobicContact CB-CG 4.22Å; A424-E428 PolarHBondContact O-N 3.32Å; S425-E428 PolarHBondContact O-N 2.9Å; E428-R431 PolarHBondContact O-N 3.3Å; E428-Y432 VanDerWaalsContact O-CB 3.29Å; E428-Y432 WeakPolarHBondContact O-CB 3.35Å; E428-Y432 PolarHBondContact O-N 3.34Å
429	C	97.9	Very high	95.1	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.014	20%	0.198	C	C	.	.	H	α-helix	trans	-66.3	-43.2	178.1	-62	0	0	0	0	113.1	Y162 C165 M166 S425 R427 Y432 V433	Y162-C429 HydrophobicContact CD2-CB 3.83Å; Y162-C429 HydrophobicContact CE2-CB 3.79Å; C165-C429 HydrophobicContact CB-CB 3.64Å; C165-C429 WeakPolarHBondContact CB-SG 3.27Å; C165-C429 PolarHBondContact O-SG 2.69Å; C165-C429 WeakPolarHBondContact SG-CA 3.4Å; C165-C429 WeakPolarHBondContact SG-CB 3.42Å; C165-C429 CovalentContact SG-SG 2.03Å; C165-C429 PolarHBondContact SG-SG 3.27Å; M166-C429 HydrophobicContact CG-CB 4.35Å; M166-C429 HydrophobicContact SD-CB 4.08Å; S425-C429 WeakPolarHBondContact O-CB 3.44Å; S425-C429 PolarHBondContact O-N 3.3Å; S425-C429 PolarHBondContact O-SG 2.76Å; R427-C429 VanDerWaalsContact C-N 3.3Å; R427-C429 PolarHBondContact O-N 2.05Å; C429-Y432 PolarHBondContact O-N 3.35Å; C429-V433 VanDerWaalsContact O-CG2 3.23Å; C429-V433 WeakPolarHBondContact O-CG2 3.35Å; C429-V433 PolarHBondContact O-N 2.65Å
430	V	98.4	Very high	95.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-58.6	-51.3	174.9	161.8	0	0	0	0	110.4	E137 L140 K141 L144 Y162 W426 R427 Y432 V433 Q434	E137-V430 HydrophobicContact CB-CG1 4.18Å; E137-V430 HydrophobicContact CG-CG1 4.13Å; L140-V430 HydrophobicContact CB-CG1 3.52Å; L140-V430 HydrophobicContact CB-CG2 4.46Å; L140-V430 HydrophobicContact CD1-CG1 3.75Å; L140-V430 HydrophobicContact CG-CG1 4.26Å; K141-V430 HydrophobicContact CB-CG2 4.05Å; L144-V430 HydrophobicContact CD1-CG2 4.18Å; Y162-V430 HydrophobicContact CD2-CG2 4.43Å; Y162-V430 HydrophobicContact CE2-CG2 3.83Å; W426-V430 HydrophobicContact CE3-CG2 3.99Å; W426-V430 HydrophobicContact CZ3-CG2 4.38Å; W426-V430 WeakPolarHBondContact O-CB 3.41Å; W426-V430 WeakPolarHBondContact O-CG2 3.43Å; W426-V430 PolarHBondContact O-N 3.12Å; R427-V430 PolarHBondContact O-N 2.82Å; V430-Y432 VanDerWaalsContact C-N 3.28Å; V430-Y432 PolarHBondContact O-N 3.04Å; V430-V433 PolarHBondContact O-N 2.86Å; V430-Q434 WeakPolarHBondContact O-CB 3.48Å; V430-Q434 PolarHBondContact O-N 3.2Å
431	R	97.2	Very high	95.5	Very high	88 Å²	88	33.8 Å²	33.8	33%	0.332	18%	0.18	S	C	.	.	H	α-helix	trans	-59.8	-41.1	179.5	-72.4	174.3	-179	156.8	8.8	111.5	E137 D423 R427 E428 Q434 S435	E137-R431 HydrophobicContact CG-CG 4.47Å; E137-R431 IonicContact OE1-CZ 3.74Å; E137-R431 IonicContact OE1-NE 3.68Å; E137-R431 PolarHBondContact OE1-NE 3.21Å; E137-R431 IonicContact OE1-NH2 2.65Å; E137-R431 PolarHBondContact OE1-NH2 2.97Å; E137-R431 IonicContact OE2-CZ 2.71Å; E137-R431 IonicContact OE2-NE 3.17Å; E137-R431 IonicContact OE2-NH2 3.99Å; E137-R431 PolarHBondContact OE2-NH2 3.06Å; D423-R431 IonicContact OD2-CZ 2.61Å; D423-R431 IonicContact OD2-NH1 2.67Å; D423-R431 PolarHBondContact OD2-NH1 2.86Å; D423-R431 IonicContact OD2-NH2 3Å; R427-R431 WeakPolarHBondContact O-CB 3.31Å; R427-R431 VanDerWaalsContact O-CG 3.32Å; R427-R431 WeakPolarHBondContact O-CG 3.4Å; R427-R431 PolarHBondContact O-N 2.64Å; E428-R431 PolarHBondContact O-N 3.3Å; R431-Q434 PolarHBondContact O-N 2.99Å; R431-S435 PolarHBondContact O-N 2.51Å; R431-S435 PolarHBondContact O-OG 2.87Å
432	Y	97.4	Very high	95.8	Very high	43 Å²	43	30 Å²	30	17%	0.169	16%	0.157	C	C	.	.	H	α-helix	trans	-65.2	-43.7	179.6	-177.6	-108.1	0	0	0	112.8	L161 E428 C429 V430 S435 S436 Y526 I530 N533	L161-Y432 HydrophobicContact CD1-CE1 4.02Å; L161-Y432 HydrophobicContact CD2-CD1 4.36Å; L161-Y432 HydrophobicContact CD2-CE1 4Å; L161-Y432 HydrophobicContact CG-CD1 4.43Å; L161-Y432 HydrophobicContact CG-CE1 4.17Å; E428-Y432 VanDerWaalsContact O-CB 3.29Å; E428-Y432 WeakPolarHBondContact O-CB 3.35Å; E428-Y432 PolarHBondContact O-N 3.34Å; C429-Y432 PolarHBondContact O-N 3.35Å; V430-Y432 VanDerWaalsContact C-N 3.28Å; V430-Y432 PolarHBondContact O-N 3.04Å; Y432-S435 PolarHBondContact O-OG 2.99Å; Y432-S436 VanDerWaalsContact O-CB 3.31Å; Y432-S436 WeakPolarHBondContact O-CB 3.45Å; Y432-S436 PolarHBondContact O-N 3.19Å; Y432-S436 PolarHBondContact O-OG 2.94Å; Y432-Y526 AromaticContact CD1-CE2 3.82Å; Y432-Y526 HydrophobicContact CD1-CE2 3.82Å; Y432-Y526 AromaticContact CE1-CE2 3.86Å; Y432-Y526 HydrophobicContact CE1-CE2 3.86Å; Y432-I530 HydrophobicContact CE1-CG1 3.93Å; Y432-I530 HydrophobicContact CE2-CG1 4.31Å; Y432-I530 VanDerWaalsContact OH-CA 3.28Å; Y432-I530 WeakPolarHBondContact OH-CA 2.99Å; Y432-I530 WeakPolarHBondContact OH-CG1 3.36Å; Y432-N533 PolarHBondContact OH-ND2 2.81Å
433	V	98	Very high	96.2	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-69.7	-40.5	177.2	179.4	0	0	0	0	110.5	L144 A158 L161 C429 V430 S435 S436 M437 V441	L144-V433 HydrophobicContact CD1-CG1 4.42Å; L144-V433 HydrophobicContact CD2-CG1 4.19Å; A158-V433 HydrophobicContact CB-CG1 3.89Å; A158-V433 WeakPolarHBondContact O-CG1 3.31Å; L161-V433 HydrophobicContact CB-CG2 4.13Å; L161-V433 HydrophobicContact CD2-CG2 4.04Å; L161-V433 HydrophobicContact CG-CG2 3.91Å; C429-V433 VanDerWaalsContact O-CG2 3.23Å; C429-V433 WeakPolarHBondContact O-CG2 3.35Å; C429-V433 PolarHBondContact O-N 2.65Å; V430-V433 PolarHBondContact O-N 2.86Å; V433-S435 VanDerWaalsContact C-N 3.35Å; V433-S435 PolarHBondContact O-N 2.89Å; V433-S436 PolarHBondContact O-N 3.03Å; V433-M437 PolarHBondContact O-N 3.43Å; V433-V441 HydrophobicContact CG1-CG2 3.76Å
434	Q	97.4	Very high	96.6	Very high	38 Å²	38	28.1 Å²	28.1	18%	0.178	15%	0.148	C	C	.	.	H	α-helix	trans	-57.2	-44.8	174.6	179.8	-162.7	-8.5	0	0	111.9	L140 V430 R431 E438 V441 A559	L140-Q434 HydrophobicContact CD1-CB 4.1Å; L140-Q434 HydrophobicContact CD1-CG 4Å; V430-Q434 WeakPolarHBondContact O-CB 3.48Å; V430-Q434 PolarHBondContact O-N 3.2Å; R431-Q434 PolarHBondContact O-N 2.99Å; Q434-E438 WeakPolarHBondContact O-CA 3.37Å; Q434-E438 PolarHBondContact O-N 2.75Å; Q434-V441 HydrophobicContact CB-CG1 4.21Å; Q434-V441 HydrophobicContact CG-CG1 4.36Å; Q434-A559 PolarHBondContact NE2-O 3.46Å
435	S	95.4	Very high	96.7	Very high	87 Å²	87	26.2 Å²	26.2	61%	0.608	13%	0.131	S	C	*	.	H	α-helix	trans	-73.8	-34.2	178.8	66.6	0	0	0	0	112.9	R431 Y432 V433	R431-S435 PolarHBondContact O-N 2.51Å; R431-S435 PolarHBondContact O-OG 2.87Å; Y432-S435 PolarHBondContact O-OG 2.99Å; V433-S435 VanDerWaalsContact C-N 3.35Å; V433-S435 PolarHBondContact O-N 2.89Å
436	S	96.4	Very high	96.8	Very high	31 Å²	31	25 Å²	25	22%	0.217	12%	0.122	C	C	.	.	H	α-helix	trans	-81.4	-27.7	-176.5	-53	0	0	0	0	113	Y432 V433 N533	Y432-S436 VanDerWaalsContact O-CB 3.31Å; Y432-S436 WeakPolarHBondContact O-CB 3.45Å; Y432-S436 PolarHBondContact O-N 3.19Å; Y432-S436 PolarHBondContact O-OG 2.94Å; V433-S436 PolarHBondContact O-N 3.03Å; S436-N533 PolarHBondContact OG-ND2 3.01Å
437	M	97.3	Very high	96.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	-135.7	51.8	-173.9	-59.1	-169.9	76.3	0	0	111.8	A154 K157 A158 L161 V433 N439 A440 V441 Y516 Y521	A154-M437 WeakPolarHBondContact O-CE 3.31Å; K157-M437 HydrophobicContact CB-CE 3.79Å; K157-M437 HydrophobicContact CB-SD 4.35Å; A158-M437 WeakPolarHBondContact CA-SD 3.32Å; A158-M437 HydrophobicContact CB-CE 4.28Å; A158-M437 HydrophobicContact CB-SD 3.75Å; A158-M437 PolarHBondContact N-SD 3.43Å; L161-M437 HydrophobicContact CD2-SD 4.46Å; V433-M437 PolarHBondContact O-N 3.43Å; M437-N439 VanDerWaalsContact C-N 3.3Å; M437-N439 PolarHBondContact O-N 3.46Å; M437-N439 VanDerWaalsContact O-N 3.17Å; M437-A440 HydrophobicContact CB-CB 4.23Å; M437-A440 HydrophobicContact CE-CB 4.27Å; M437-A440 PolarHBondContact O-N 2.86Å; M437-A440 VanDerWaalsContact O-N 3.13Å; M437-V441 WeakPolarHBondContact O-CG2 3.29Å; M437-V441 PolarHBondContact O-N 3.19Å; M437-Y516 VanDerWaalsContact C-OH 3.24Å; M437-Y516 WeakPolarHBondContact CA-OH 3.46Å; M437-Y516 HydrophobicContact CB-CE1 4.06Å; M437-Y516 HydrophobicContact CE-CD1 3.69Å; M437-Y516 HydrophobicContact CE-CD2 3.81Å; M437-Y516 HydrophobicContact CE-CE1 4.14Å; M437-Y516 HydrophobicContact CE-CE2 4.23Å; M437-Y516 HydrophobicContact CE-CG 3.51Å; M437-Y516 HydrophobicContact CG-CD1 4.28Å; M437-Y516 HydrophobicContact CG-CE1 4.04Å; M437-Y521 HydrophobicContact CE-CE2 4.41Å; M437-Y521 HydrophobicContact SD-CE2 3.65Å
438	E	96.2	Very high	96.4	Very high	59 Å²	59	31.9 Å²	31.9	28%	0.276	15%	0.154	S	C	.	.	H	α-helix	trans	-54.2	-37.3	-169.8	69.1	178.7	173.7	0	0	115	Q434 G442 Y516 G557	Q434-E438 WeakPolarHBondContact O-CA 3.37Å; Q434-E438 PolarHBondContact O-N 2.75Å; E438-G442 WeakPolarHBondContact O-CA 3.06Å; E438-G442 PolarHBondContact O-N 2.94Å; E438-Y516 PolarHBondContact N-OH 3.42Å; E438-G557 PolarHBondContact OE2-N 3.4Å
439	N	96.7	Very high	96.1	Very high	14 Å²	14	32.3 Å²	32.3	8%	0.075	16%	0.159	C	C	.	.	H	α-helix	trans	-79.2	-36.8	-179.3	-73.4	-33.9	0	0	0	111.9	M437 A443 I504 L512 E515 Y516	M437-N439 VanDerWaalsContact C-N 3.3Å; M437-N439 PolarHBondContact O-N 3.46Å; M437-N439 VanDerWaalsContact O-N 3.17Å; N439-A443 WeakPolarHBondContact O-CB 3.48Å; N439-A443 PolarHBondContact O-N 3.17Å; N439-I504 HydrophobicContact CB-CG2 3.94Å; N439-L512 HydrophobicContact CB-CD1 3.61Å; N439-E515 PolarHBondContact ND2-OE2 2.67Å; N439-Y516 PolarHBondContact N-OH 3.37Å
440	A	97.1	Very high	95.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-67.4	-46.6	176.5	0	0	0	0	0	111	A154 A158 M437 A443 L444 Y516	A154-A440 HydrophobicContact CB-CB 4.2Å; A158-A440 HydrophobicContact CB-CB 4.42Å; M437-A440 HydrophobicContact CB-CB 4.23Å; M437-A440 HydrophobicContact CE-CB 4.27Å; M437-A440 PolarHBondContact O-N 2.86Å; M437-A440 VanDerWaalsContact O-N 3.13Å; A440-A443 PolarHBondContact O-N 3.24Å; A440-L444 PolarHBondContact O-N 3.38Å; A440-Y516 HydrophobicContact CB-CD2 4.39Å; A440-Y516 HydrophobicContact CB-CE2 3.82Å
441	V	97.4	Very high	94.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-68.6	-38.5	175.9	178.2	0	0	0	0	111.1	L140 A158 V433 Q434 M437 A443 L444 Y445	L140-V441 HydrophobicContact CD1-CG1 3.69Å; L140-V441 HydrophobicContact CD2-CG1 3.45Å; L140-V441 VanDerWaalsContact CD2-CG1 3.45Å; L140-V441 HydrophobicContact CG-CG1 4.15Å; A158-V441 HydrophobicContact CB-CG2 4.47Å; V433-V441 HydrophobicContact CG1-CG2 3.76Å; Q434-V441 HydrophobicContact CB-CG1 4.21Å; Q434-V441 HydrophobicContact CG-CG1 4.36Å; M437-V441 WeakPolarHBondContact O-CG2 3.29Å; M437-V441 PolarHBondContact O-N 3.19Å; V441-A443 VanDerWaalsContact C-N 3.32Å; V441-A443 PolarHBondContact O-N 3.18Å; V441-L444 PolarHBondContact O-N 3.24Å; V441-Y445 PolarHBondContact O-N 3.29Å
442	G	97.1	Very high	93.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-57.9	-42.2	173.5	0	0	0	0	0	112.6	E438 L444 Y445 V446	E438-G442 WeakPolarHBondContact O-CA 3.06Å; E438-G442 PolarHBondContact O-N 2.94Å; G442-L444 PolarHBondContact O-N 2.91Å; G442-Y445 PolarHBondContact O-N 2.85Å; G442-V446 WeakPolarHBondContact O-CB 3.08Å; G442-V446 WeakPolarHBondContact O-CG2 3.32Å; G442-V446 PolarHBondContact O-N 3.17Å
443	A	95.9	Very high	92.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.3	-44	176	0	0	0	0	0	112	N439 A440 V441 R447 I504 L505 L512	N439-A443 WeakPolarHBondContact O-CB 3.48Å; N439-A443 PolarHBondContact O-N 3.17Å; A440-A443 PolarHBondContact O-N 3.24Å; V441-A443 VanDerWaalsContact C-N 3.32Å; V441-A443 PolarHBondContact O-N 3.18Å; A443-R447 WeakPolarHBondContact O-CD 3.16Å; A443-R447 WeakPolarHBondContact O-CG 3.49Å; A443-R447 PolarHBondContact O-N 3.08Å; A443-I504 HydrophobicContact CB-CB 4.12Å; A443-I504 HydrophobicContact CB-CD1 4.31Å; A443-I504 HydrophobicContact CB-CG1 4.09Å; A443-I504 WeakPolarHBondContact CB-O 3.38Å; A443-L505 HydrophobicContact CB-CD2 4.33Å; A443-L512 HydrophobicContact CB-CD2 4.25Å
444	L	95.8	Very high	91.9	Very high	15 Å²	15	38.8 Å²	38.8	8%	0.079	22%	0.219	C	C	.	.	H	α-helix	trans	-62.4	-47.7	176	-69.3	174.3	0	0	0	111.8	V143 L144 I155 A440 V441 G442 E448	V143-L444 HydrophobicContact CB-CB 4.14Å; V143-L444 HydrophobicContact CB-CD1 4.47Å; V143-L444 HydrophobicContact CG2-CB 3.72Å; V143-L444 HydrophobicContact CG2-CD1 4.08Å; V143-L444 HydrophobicContact CG2-CG 4.45Å; L144-L444 HydrophobicContact CD2-CD1 4.17Å; I155-L444 HydrophobicContact CD1-CD2 3.97Å; I155-L444 HydrophobicContact CD1-CG 4.43Å; I155-L444 HydrophobicContact CG1-CD2 4.39Å; I155-L444 HydrophobicContact CG1-CG 4.44Å; I155-L444 HydrophobicContact CG2-CD1 4.18Å; I155-L444 HydrophobicContact CG2-CD2 3.96Å; I155-L444 HydrophobicContact CG2-CG 4.38Å; A440-L444 PolarHBondContact O-N 3.38Å; V441-L444 PolarHBondContact O-N 3.24Å; G442-L444 PolarHBondContact O-N 2.91Å; L444-E448 PolarHBondContact O-N 3.07Å
445	Y	96.7	Very high	91.5	Very high	7 Å²	7	39.7 Å²	39.7	3%	0.027	22%	0.223	C	C	.	.	H	α-helix	trans	-60.2	-50.8	-179.2	179.5	-106.9	0	0	0	112.2	L136 V139 L140 V441 G442 R447 E448 T449 A559 A576 Q580	L136-Y445 HydrophobicContact CB-CE2 4.32Å; L136-Y445 HydrophobicContact CD1-CD2 4.46Å; L136-Y445 HydrophobicContact CD1-CE1 4.16Å; L136-Y445 HydrophobicContact CD1-CE2 3.84Å; L136-Y445 HydrophobicContact CG-CD2 4.12Å; L136-Y445 HydrophobicContact CG-CE2 3.61Å; V139-Y445 HydrophobicContact CB-CD2 4.36Å; V139-Y445 HydrophobicContact CB-CE2 4.37Å; V139-Y445 HydrophobicContact CG1-CD2 3.94Å; V139-Y445 HydrophobicContact CG1-CE2 4.26Å; L140-Y445 HydrophobicContact CD2-CD2 4.04Å; L140-Y445 HydrophobicContact CD2-CG 4.31Å; V441-Y445 PolarHBondContact O-N 3.29Å; G442-Y445 PolarHBondContact O-N 2.85Å; Y445-R447 VanDerWaalsContact C-N 3.32Å; Y445-R447 PolarHBondContact O-N 2.76Å; Y445-E448 PolarHBondContact O-N 3.43Å; Y445-E448 VanDerWaalsContact O-N 3.08Å; Y445-T449 HydrophobicContact CD2-CG2 4.09Å; Y445-T449 WeakPolarHBondContact CE1-OG1 3.38Å; Y445-T449 HydrophobicContact CE2-CG2 3.71Å; Y445-T449 PolarHBondContact O-N 3.17Å; Y445-T449 PolarHBondContact O-OG1 3.02Å; Y445-T449 VanDerWaalsContact O-OG1 3.11Å; Y445-A559 HydrophobicContact CD1-CB 3.95Å; Y445-A559 HydrophobicContact CG-CB 3.83Å; Y445-A576 HydrophobicContact CD1-CB 4.42Å; Y445-A576 HydrophobicContact CE1-CB 4.14Å; Y445-Q580 PolarHBondContact OH-NE2 3.19Å
446	V	95.3	Very high	91.4	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.018	23%	0.232	C	C	.	.	H	α-helix	trans	-63.7	-37.9	-175.4	170.8	0	0	0	0	111.6	G442 E448 F450 Y500 L505 A558 A576	G442-V446 WeakPolarHBondContact O-CB 3.08Å; G442-V446 WeakPolarHBondContact O-CG2 3.32Å; G442-V446 PolarHBondContact O-N 3.17Å; V446-E448 PolarHBondContact O-N 3.5Å; V446-F450 HydrophobicContact CB-CB 4.34Å; V446-F450 HydrophobicContact CG1-CB 3.83Å; V446-F450 HydrophobicContact CG1-CD1 4.36Å; V446-F450 HydrophobicContact CG1-CG 4.42Å; V446-F450 WeakPolarHBondContact O-CB 3.49Å; V446-F450 PolarHBondContact O-N 2.8Å; V446-Y500 HydrophobicContact CB-CD1 4.26Å; V446-Y500 HydrophobicContact CG1-CD1 3.29Å; V446-Y500 HydrophobicContact CG1-CD2 4.34Å; V446-Y500 HydrophobicContact CG1-CE1 3.39Å; V446-Y500 HydrophobicContact CG1-CE2 4.43Å; V446-Y500 HydrophobicContact CG1-CG 3.82Å; V446-Y500 HydrophobicContact CG2-CD1 3.9Å; V446-Y500 HydrophobicContact CG2-CG 4.04Å; V446-L505 HydrophobicContact CB-CD2 4.48Å; V446-L505 HydrophobicContact CG1-CD1 3.75Å; V446-L505 HydrophobicContact CG1-CD2 4.32Å; V446-L505 HydrophobicContact CG1-CG 4.4Å; V446-A558 HydrophobicContact CG2-CB 3.74Å; V446-A576 HydrophobicContact CG2-CB 3.92Å
447	R	92.9	Very high	91.2	Very high	98 Å²	98	47.4 Å²	47.4	37%	0.37	24%	0.237	S	C	.	.	H	α-helix	trans	-60	-34.9	175.5	-74.3	169.6	-169.2	177.2	-0.2	112.5	A443 Y445 L505 E507	A443-R447 WeakPolarHBondContact O-CD 3.16Å; A443-R447 WeakPolarHBondContact O-CG 3.49Å; A443-R447 PolarHBondContact O-N 3.08Å; Y445-R447 VanDerWaalsContact C-N 3.32Å; Y445-R447 PolarHBondContact O-N 2.76Å; R447-L505 HydrophobicContact CG-CD2 3.75Å; R447-E507 IonicContact CZ-OE1 2.89Å; R447-E507 IonicContact NE-OE1 2.79Å; R447-E507 IonicContact NH1-OE1 3.73Å; R447-E507 IonicContact NH2-OE1 3.75Å; R447-E507 PolarHBondContact NH2-OE1 3.42Å; R447-E507 IonicContact NH2-OE2 3.24Å
448	E	92.2	Very high	91.1	Very high	135 Å²	135	47.4 Å²	47.4	63%	0.631	24%	0.237	S	C	*	.	H	α-helix	trans	-83.7	-39.7	-177.5	-170.3	60.2	-154.4	0	0	112.3	V139 V143 L444 Y445 V446	V139-E448 HydrophobicContact CG1-CB 4.21Å; V139-E448 HydrophobicContact CG1-CG 3.95Å; V143-E448 HydrophobicContact CG1-CB 4.34Å; V143-E448 HydrophobicContact CG1-CG 4.43Å; L444-E448 PolarHBondContact O-N 3.07Å; Y445-E448 PolarHBondContact O-N 3.43Å; Y445-E448 VanDerWaalsContact O-N 3.08Å; V446-E448 PolarHBondContact O-N 3.5Å
449	T	89.6	Confident	91.1	Very high	58 Å²	58	46.6 Å²	46.6	36%	0.356	24%	0.238	S	C	.	.	H	α-helix	trans	-114.4	-22.1	-164.7	67.5	0	0	0	0	115.5	V139 Y445	V139-T449 HydrophobicContact CG1-CG2 3.77Å; V139-T449 HydrophobicContact CG2-CG2 4.15Å; Y445-T449 HydrophobicContact CD2-CG2 4.09Å; Y445-T449 WeakPolarHBondContact CE1-OG1 3.38Å; Y445-T449 HydrophobicContact CE2-CG2 3.71Å; Y445-T449 PolarHBondContact O-N 3.17Å; Y445-T449 PolarHBondContact O-OG1 3.02Å; Y445-T449 VanDerWaalsContact O-OG1 3.11Å
450	F	84.1	Confident	91.1	Very high	26 Å²	26	49.7 Å²	49.7	11%	0.114	25%	0.254	C	S	.	.			trans	-105.9	112.4	-163.2	-164.6	-98.4	0	0	0	112.9	V446 K455 Y500 A576 L579	V446-F450 HydrophobicContact CB-CB 4.34Å; V446-F450 HydrophobicContact CG1-CB 3.83Å; V446-F450 HydrophobicContact CG1-CD1 4.36Å; V446-F450 HydrophobicContact CG1-CG 4.42Å; V446-F450 WeakPolarHBondContact O-CB 3.49Å; V446-F450 PolarHBondContact O-N 2.8Å; F450-K455 HydrophobicContact CE1-CB 4.36Å; F450-Y500 HydrophobicContact CD1-CD1 4.09Å; F450-Y500 AromaticContact CD1-CE1 3.68Å; F450-Y500 HydrophobicContact CD1-CE1 3.68Å; F450-Y500 HydrophobicContact CE1-CD1 4.28Å; F450-Y500 AromaticContact CE1-CE1 3.91Å; F450-Y500 HydrophobicContact CE1-CE1 3.91Å; F450-A576 HydrophobicContact CB-CB 4.39Å; F450-A576 HydrophobicContact CD2-CB 3.57Å; F450-A576 HydrophobicContact CE2-CB 4.01Å; F450-A576 HydrophobicContact CG-CB 4.02Å; F450-L579 HydrophobicContact CE2-CB 3.95Å; F450-L579 HydrophobicContact CE2-CD1 3.69Å; F450-L579 HydrophobicContact CE2-CG 4.44Å; F450-L579 HydrophobicContact CZ-CD1 3.88Å
451	A	74.8	Confident	91.1	Very high	49 Å²	49	49.9 Å²	49.9	41%	0.405	26%	0.256	S	S	.	.			trans	-76.2	125.4	173.6	0	0	0	0	0	111	E453 S454	A451-E453 PolarHBondContact O-N 2.89Å; A451-S454 WeakPolarHBondContact O-CB 3.45Å; A451-S454 PolarHBondContact O-N 3.3Å; A451-S454 PolarHBondContact O-OG 3.2Å
452	G	70.8	Confident	91.1	Very high	55 Å²	55	50 Å²	50	57%	0.567	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-25.7	-175.5	0	0	0	0	0	115.7	S454 K455	G452-S454 VanDerWaalsContact C-N 3.29Å; G452-S454 PolarHBondContact O-N 3.07Å; G452-K455 PolarHBondContact O-N 3.3Å
453	E	82.6	Confident	91.1	Very high	126 Å²	126	52.8 Å²	52.8	59%	0.589	28%	0.275	S	S	*	.	H	α-helix	trans	-65.6	-28.4	176.1	-67	-176.8	152.1	0	0	113.4	A451 K455 R456 M457 K586	A451-E453 PolarHBondContact O-N 2.89Å; E453-K455 PolarHBondContact O-N 3.24Å; E453-R456 PolarHBondContact O-N 2.85Å; E453-R456 VanDerWaalsContact O-N 3.14Å; E453-M457 PolarHBondContact O-N 2.74Å; E453-K586 IonicContact OE2-NZ 3.86Å; E453-K586 PolarHBondContact OE2-NZ 3.34Å
454	S	87.6	Confident	91.2	Very high	13 Å²	13	55.5 Å²	55.5	9%	0.091	29%	0.287	C	S	.	.	H	α-helix	trans	-59.4	-34.5	-179.4	-63.2	0	0	0	0	112.1	A451 G452 R456 M457 V458	A451-S454 WeakPolarHBondContact O-CB 3.45Å; A451-S454 PolarHBondContact O-N 3.3Å; A451-S454 PolarHBondContact O-OG 3.2Å; G452-S454 VanDerWaalsContact C-N 3.29Å; G452-S454 PolarHBondContact O-N 3.07Å; S454-R456 VanDerWaalsContact C-N 3.31Å; S454-R456 PolarHBondContact O-N 2.71Å; S454-M457 PolarHBondContact O-N 3.17Å; S454-V458 VanDerWaalsContact O-CG2 3.28Å; S454-V458 WeakPolarHBondContact O-CG2 3.5Å; S454-V458 PolarHBondContact O-N 3.11Å
455	K	90.6	Very high	91.3	Very high	58 Å²	58	54.8 Å²	54.8	25%	0.252	28%	0.284	S	S	.	.	H	α-helix	trans	-59.1	-41.5	178.2	-170.1	168.8	179.6	168.7	0	111.8	F450 G452 E453 S459 I498 D502	F450-K455 HydrophobicContact CE1-CB 4.36Å; G452-K455 PolarHBondContact O-N 3.3Å; E453-K455 PolarHBondContact O-N 3.24Å; K455-S459 WeakPolarHBondContact O-CB 3.31Å; K455-S459 PolarHBondContact O-N 3.44Å; K455-S459 VanDerWaalsContact O-N 3.14Å; K455-I498 HydrophobicContact CB-CG2 4.5Å; K455-I498 HydrophobicContact CG-CB 4.1Å; K455-I498 HydrophobicContact CG-CG2 4.07Å; K455-D502 IonicContact NZ-OD1 2.64Å; K455-D502 PolarHBondContact NZ-OD1 3.03Å; K455-D502 IonicContact NZ-OD2 3.85Å
456	R	92.1	Very high	91.4	Very high	216 Å²	216	55.8 Å²	55.8	82%	0.815	29%	0.288	S	S	*	.	H	α-helix	trans	-71	-41.2	-179.5	-169.5	-178.8	-176	174.3	1.7	112.3	E453 S454 S459 D460	E453-R456 PolarHBondContact O-N 2.85Å; E453-R456 VanDerWaalsContact O-N 3.14Å; S454-R456 VanDerWaalsContact C-N 3.31Å; S454-R456 PolarHBondContact O-N 2.71Å; R456-S459 PolarHBondContact O-N 2.88Å; R456-D460 PolarHBondContact O-N 2.98Å; R456-D460 VanDerWaalsContact O-N 3.11Å
457	M	92.9	Very high	91.4	Very high	63 Å²	63	58.6 Å²	58.6	31%	0.31	31%	0.306	S	S	.	.	H	α-helix	trans	-67.4	-39.4	179.3	-68	-176.7	70.5	0	0	112.1	E453 S454 D460 L461 F584 K586	E453-M457 PolarHBondContact O-N 2.74Å; S454-M457 PolarHBondContact O-N 3.17Å; M457-D460 PolarHBondContact O-N 3.22Å; M457-L461 PolarHBondContact O-N 3.43Å; M457-F584 HydrophobicContact CB-CE2 4.28Å; M457-F584 HydrophobicContact CB-CZ 3.85Å; M457-F584 HydrophobicContact CE-CZ 4.43Å; M457-F584 HydrophobicContact SD-CZ 4.28Å; M457-K586 HydrophobicContact CE-CB 3.9Å; M457-K586 HydrophobicContact SD-CB 3.4Å; M457-K586 WeakPolarHBondContact SD-CB 3.13Å
458	V	95.1	Very high	91.6	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-68.1	-39	177	175.1	0	0	0	0	111	S454 D460 L461 I462 I498 L579 F584 I601	S454-V458 VanDerWaalsContact O-CG2 3.28Å; S454-V458 WeakPolarHBondContact O-CG2 3.5Å; S454-V458 PolarHBondContact O-N 3.11Å; V458-D460 VanDerWaalsContact C-N 3.32Å; V458-D460 PolarHBondContact O-N 3.48Å; V458-L461 WeakPolarHBondContact O-CB 3.37Å; V458-L461 PolarHBondContact O-N 3.31Å; V458-L461 VanDerWaalsContact O-N 3.16Å; V458-I462 HydrophobicContact CG1-CD1 4.1Å; V458-I462 HydrophobicContact CG1-CG1 4.48Å; V458-I462 WeakPolarHBondContact O-CG1 3.46Å; V458-I462 PolarHBondContact O-N 2.89Å; V458-I498 HydrophobicContact CB-CG2 3.87Å; V458-I498 HydrophobicContact CG1-CD1 4.34Å; V458-I498 HydrophobicContact CG1-CG1 4.45Å; V458-I498 HydrophobicContact CG1-CG2 3.75Å; V458-L579 HydrophobicContact CG1-CD2 4.14Å; V458-L579 HydrophobicContact CG2-CD1 4.19Å; V458-L579 HydrophobicContact CG2-CD2 3.8Å; V458-F584 HydrophobicContact CG2-CD1 4.29Å; V458-F584 HydrophobicContact CG2-CD2 4.28Å; V458-F584 HydrophobicContact CG2-CE1 4.17Å; V458-F584 HydrophobicContact CG2-CE2 4.14Å; V458-F584 HydrophobicContact CG2-CG 4.34Å; V458-F584 HydrophobicContact CG2-CZ 4.09Å; V458-I601 HydrophobicContact CG1-CD1 4.42Å
459	S	96.1	Very high	91.8	Very high	42 Å²	42	47.6 Å²	47.6	29%	0.294	26%	0.258	S	S	.	.	H	α-helix	trans	-59.6	-41	173	-177.1	0	0	0	0	112	K455 R456 I462 S463 E496	K455-S459 WeakPolarHBondContact O-CB 3.31Å; K455-S459 PolarHBondContact O-N 3.44Å; K455-S459 VanDerWaalsContact O-N 3.14Å; R456-S459 PolarHBondContact O-N 2.88Å; S459-I462 PolarHBondContact O-N 2.65Å; S459-S463 PolarHBondContact O-N 2.87Å; S459-E496 WeakPolarHBondContact CB-OE1 3.45Å; S459-E496 PolarHBondContact OG-OE1 3.08Å
460	D	96	Very high	92.1	Very high	79 Å²	79	45.9 Å²	45.9	42%	0.422	25%	0.248	S	C	.	.	H	α-helix	trans	-63.6	-41.4	173.6	-178.2	59.5	0	0	0	112.4	R456 M457 V458 I462 S463 K464	R456-D460 PolarHBondContact O-N 2.98Å; R456-D460 VanDerWaalsContact O-N 3.11Å; M457-D460 PolarHBondContact O-N 3.22Å; V458-D460 VanDerWaalsContact C-N 3.32Å; V458-D460 PolarHBondContact O-N 3.48Å; D460-I462 PolarHBondContact O-N 3.25Å; D460-S463 PolarHBondContact O-N 3.43Å; D460-K464 WeakPolarHBondContact O-CG 3.28Å; D460-K464 PolarHBondContact O-N 2.89Å; D460-K464 IonicContact OD1-NZ 2.66Å; D460-K464 PolarHBondContact OD1-NZ 2.96Å; D460-K464 WeakPolarHBondContact OD2-CE 3.48Å; D460-K464 IonicContact OD2-NZ 2.67Å; D460-K464 PolarHBondContact OD2-NZ 3.22Å
461	L	97	Very high	92.6	Very high	5 Å²	5	48.4 Å²	48.4	3%	0.026	26%	0.26	C	S	.	.	H	α-helix	trans	-60.8	-43.8	173.5	-72.5	172.5	0	0	0	111.9	M457 V458 S463 K464 I465 F584 F594 I597 I601	M457-L461 PolarHBondContact O-N 3.43Å; V458-L461 WeakPolarHBondContact O-CB 3.37Å; V458-L461 PolarHBondContact O-N 3.31Å; V458-L461 VanDerWaalsContact O-N 3.16Å; L461-S463 PolarHBondContact O-N 3.48Å; L461-K464 PolarHBondContact O-N 3.3Å; L461-I465 WeakPolarHBondContact O-CD1 3.38Å; L461-I465 VanDerWaalsContact O-CG1 3.29Å; L461-I465 WeakPolarHBondContact O-CG1 3.42Å; L461-I465 PolarHBondContact O-N 3.28Å; L461-F584 HydrophobicContact CD1-CD2 4.17Å; L461-F584 HydrophobicContact CD1-CE2 4.11Å; L461-F594 HydrophobicContact CD2-CD1 4.26Å; L461-F594 HydrophobicContact CD2-CD2 4.36Å; L461-F594 HydrophobicContact CD2-CE1 3.74Å; L461-F594 HydrophobicContact CD2-CE2 3.87Å; L461-F594 HydrophobicContact CD2-CZ 3.54Å; L461-I597 HydrophobicContact CD1-CG2 3.8Å; L461-I601 HydrophobicContact CB-CD1 3.95Å
462	I	97.8	Very high	93.5	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.015	24%	0.243	C	C	.	.	H	α-helix	trans	-59	-48.2	176.6	-65.3	164.6	0	0	0	110.4	V458 S459 D460 K464 I465 Q466 E496 I498 I572 F574 I601	V458-I462 HydrophobicContact CG1-CD1 4.1Å; V458-I462 HydrophobicContact CG1-CG1 4.48Å; V458-I462 WeakPolarHBondContact O-CG1 3.46Å; V458-I462 PolarHBondContact O-N 2.89Å; S459-I462 PolarHBondContact O-N 2.65Å; D460-I462 PolarHBondContact O-N 3.25Å; I462-K464 VanDerWaalsContact C-N 3.32Å; I462-K464 PolarHBondContact O-N 3.47Å; I462-I465 PolarHBondContact O-N 3.08Å; I462-Q466 VanDerWaalsContact O-CB 3.3Å; I462-Q466 WeakPolarHBondContact O-CB 3.45Å; I462-Q466 PolarHBondContact O-N 3.04Å; I462-E496 WeakPolarHBondContact CB-OE2 3.48Å; I462-E496 HydrophobicContact CD1-CB 4.09Å; I462-E496 WeakPolarHBondContact CG2-OE2 3.25Å; I462-I498 HydrophobicContact CD1-CD1 3.65Å; I462-I498 HydrophobicContact CD1-CG1 3.87Å; I462-I572 HydrophobicContact CG2-CD1 3.98Å; I462-F574 HydrophobicContact CD1-CD2 3.89Å; I462-F574 HydrophobicContact CD1-CE2 3.72Å; I462-F574 HydrophobicContact CG1-CE2 4.17Å; I462-I601 HydrophobicContact CB-CG2 4.28Å; I462-I601 HydrophobicContact CG1-CD1 3.77Å; I462-I601 HydrophobicContact CG1-CG1 3.94Å; I462-I601 HydrophobicContact CG1-CG2 3.8Å; I462-I601 HydrophobicContact CG2-CG2 4.45Å
463	S	97.8	Very high	94.7	Very high	57 Å²	57	44 Å²	44	40%	0.399	22%	0.217	S	C	.	.	H	α-helix	trans	-58.7	-42	177.9	-176.3	0	0	0	0	112.7	S459 D460 L461 T467	S459-S463 PolarHBondContact O-N 2.87Å; D460-S463 PolarHBondContact O-N 3.43Å; L461-S463 PolarHBondContact O-N 3.48Å; S463-T467 WeakPolarHBondContact O-CB 3.42Å; S463-T467 PolarHBondContact O-N 3.46Å; S463-T467 PolarHBondContact O-OG1 2.86Å
464	K	97.7	Very high	95.1	Very high	58 Å²	58	42.9 Å²	42.9	25%	0.252	21%	0.211	S	C	.	.	H	α-helix	trans	-65.9	-40	177.5	-67.7	-172.8	-148.2	-44.2	0	112.5	D460 L461 I462 T467 A468 F594 A680	D460-K464 WeakPolarHBondContact O-CG 3.28Å; D460-K464 PolarHBondContact O-N 2.89Å; D460-K464 IonicContact OD1-NZ 2.66Å; D460-K464 PolarHBondContact OD1-NZ 2.96Å; D460-K464 WeakPolarHBondContact OD2-CE 3.48Å; D460-K464 IonicContact OD2-NZ 2.67Å; D460-K464 PolarHBondContact OD2-NZ 3.22Å; L461-K464 PolarHBondContact O-N 3.3Å; I462-K464 VanDerWaalsContact C-N 3.32Å; I462-K464 PolarHBondContact O-N 3.47Å; K464-T467 PolarHBondContact O-N 3.32Å; K464-A468 PolarHBondContact O-N 3.3Å; K464-F594 HydrophobicContact CD-CZ 4.17Å; K464-A680 HydrophobicContact CB-CB 4.38Å
465	I	98.4	Very high	95.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-74.4	-39.8	-179	-65.5	161.4	0	0	0	110.8	L461 I462 T467 A468 Y469 F594 G598 I601 I605 Q676 A680	L461-I465 WeakPolarHBondContact O-CD1 3.38Å; L461-I465 VanDerWaalsContact O-CG1 3.29Å; L461-I465 WeakPolarHBondContact O-CG1 3.42Å; L461-I465 PolarHBondContact O-N 3.28Å; I462-I465 PolarHBondContact O-N 3.08Å; I465-T467 VanDerWaalsContact C-N 3.29Å; I465-T467 PolarHBondContact O-N 3.19Å; I465-A468 CarbonylContact O-C 3.52Å; I465-A468 WeakPolarHBondContact O-CB 3.42Å; I465-A468 PolarHBondContact O-N 3.26Å; I465-A468 VanDerWaalsContact O-N 3.13Å; I465-Y469 PolarHBondContact O-N 2.89Å; I465-F594 HydrophobicContact CG1-CE1 4.45Å; I465-G598 VanDerWaalsContact CD1-CA 3.45Å; I465-G598 VanDerWaalsContact CD1-O 3.32Å; I465-G598 WeakPolarHBondContact CD1-O 3.42Å; I465-I601 HydrophobicContact CB-CG2 4.04Å; I465-I601 HydrophobicContact CD1-CB 3.74Å; I465-I601 HydrophobicContact CD1-CD1 4.05Å; I465-I601 HydrophobicContact CD1-CG2 3.67Å; I465-I601 HydrophobicContact CG1-CG2 4.48Å; I465-I601 HydrophobicContact CG2-CG2 4.06Å; I465-I605 HydrophobicContact CG2-CD1 3.99Å; I465-Q676 HydrophobicContact CG2-CB 4.06Å; I465-A680 HydrophobicContact CG1-CB 3.89Å
466	Q	97.2	Very high	95.6	Very high	28 Å²	28	44.7 Å²	44.7	13%	0.131	22%	0.22	C	C	.	.	H	α-helix	trans	-59.3	-41.5	171.5	-172.2	-176.1	49.5	0	0	111.2	I462 Y469 V470 A491 M492 I605	I462-Q466 VanDerWaalsContact O-CB 3.3Å; I462-Q466 WeakPolarHBondContact O-CB 3.45Å; I462-Q466 PolarHBondContact O-N 3.04Å; Q466-Y469 WeakPolarHBondContact O-CB 3.38Å; Q466-Y469 PolarHBondContact O-N 3.37Å; Q466-V470 WeakPolarHBondContact O-CG2 3.11Å; Q466-V470 PolarHBondContact O-N 3.37Å; Q466-A491 PolarHBondContact NE2-O 3.36Å; Q466-M492 HydrophobicContact CG-SD 4.33Å; Q466-I605 HydrophobicContact CB-CD1 4.32Å
467	T	96.3	Very high	95.8	Very high	62 Å²	62	39.7 Å²	39.7	38%	0.38	22%	0.218	S	C	.	.	H	α-helix	trans	-63.2	-43.9	173.4	-57.8	0	0	0	0	111.5	S463 K464 I465 Y469 V470 E471	S463-T467 WeakPolarHBondContact O-CB 3.42Å; S463-T467 PolarHBondContact O-N 3.46Å; S463-T467 PolarHBondContact O-OG1 2.86Å; K464-T467 PolarHBondContact O-N 3.32Å; I465-T467 VanDerWaalsContact C-N 3.29Å; I465-T467 PolarHBondContact O-N 3.19Å; T467-Y469 VanDerWaalsContact C-N 3.32Å; T467-Y469 PolarHBondContact O-N 3.2Å; T467-V470 PolarHBondContact O-N 2.96Å; T467-E471 PolarHBondContact O-N 2.86Å; T467-E471 VanDerWaalsContact O-N 3.1Å
468	A	97.1	Very high	95.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.7	-39.8	175.9	0	0	0	0	0	112.1	K464 I465 T472 K679 A680	K464-A468 PolarHBondContact O-N 3.3Å; I465-A468 CarbonylContact O-C 3.52Å; I465-A468 WeakPolarHBondContact O-CB 3.42Å; I465-A468 PolarHBondContact O-N 3.26Å; I465-A468 VanDerWaalsContact O-N 3.13Å; A468-T472 PolarHBondContact O-N 3.48Å; A468-T472 PolarHBondContact O-OG1 2.64Å; A468-K679 HydrophobicContact CB-CB 4.28Å; A468-K679 HydrophobicContact CB-CD 4.37Å; A468-K679 HydrophobicContact CB-CG 4.21Å; A468-A680 HydrophobicContact CB-CB 3.95Å
469	Y	96.6	Very high	96	Very high	1 Å²	1	37.7 Å²	37.7	0%	0.004	21%	0.207	C	C	.	.	H	α-helix	trans	-58.7	-54.1	173.8	-178.7	-89.9	0	0	0	111.5	I465 Q466 T467 E471 T472 L473 A491 I605 F609 Q676 W769	I465-Y469 PolarHBondContact O-N 2.89Å; Q466-Y469 WeakPolarHBondContact O-CB 3.38Å; Q466-Y469 PolarHBondContact O-N 3.37Å; T467-Y469 VanDerWaalsContact C-N 3.32Å; T467-Y469 PolarHBondContact O-N 3.2Å; Y469-E471 VanDerWaalsContact C-N 3.28Å; Y469-E471 PolarHBondContact O-N 3.47Å; Y469-T472 WeakPolarHBondContact O-CB 3.13Å; Y469-T472 PolarHBondContact O-N 2.61Å; Y469-L473 HydrophobicContact CD1-CD1 4.47Å; Y469-L473 HydrophobicContact CD1-CG 4.49Å; Y469-L473 HydrophobicContact CE1-CD1 4.1Å; Y469-L473 HydrophobicContact CE1-CD2 3.97Å; Y469-L473 HydrophobicContact CE1-CG 4.14Å; Y469-L473 PolarHBondContact O-N 3.03Å; Y469-A491 HydrophobicContact CD1-CB 3.68Å; Y469-A491 HydrophobicContact CE1-CB 3.76Å; Y469-I605 HydrophobicContact CD1-CG2 4.49Å; Y469-I605 HydrophobicContact CD2-CG2 3.93Å; Y469-I605 HydrophobicContact CE2-CG2 4.42Å; Y469-I605 HydrophobicContact CG-CG2 4Å; Y469-F609 HydrophobicContact CE1-CD2 4.05Å; Y469-F609 HydrophobicContact CE1-CE1 4.39Å; Y469-F609 AromaticContact CE1-CE2 3.64Å; Y469-F609 HydrophobicContact CE1-CE2 3.64Å; Y469-F609 AromaticContact CE1-CZ 3.84Å; Y469-F609 HydrophobicContact CE1-CZ 3.84Å; Y469-F609 HydrophobicContact CE2-CD2 4.05Å; Y469-F609 HydrophobicContact CE2-CE2 4.35Å; Y469-F609 AromaticContact CZ-CD2 3.45Å; Y469-F609 VanDerWaalsContact CZ-CD2 3.45Å; Y469-F609 AromaticContact CZ-CE2 3.55Å; Y469-F609 AromaticContact CZ-CG 3.87Å; Y469-F609 WeakPolarHBondContact OH-CB 3.5Å; Y469-F609 VanDerWaalsContact OH-CD1 3.31Å; Y469-F609 WeakPolarHBondContact OH-CD1 3.41Å; Y469-F609 WeakPolarHBondContact OH-CD2 3.32Å; Y469-F609 WeakPolarHBondContact OH-CE2 3.48Å; Y469-F609 WeakPolarHBondContact OH-CG 2.97Å; Y469-Q676 HydrophobicContact CD2-CG 4.23Å; Y469-W769 HydrophobicContact CE2-CE3 4.42Å
470	V	96.2	Very high	96.1	Very high	22 Å²	22	37.6 Å²	37.6	13%	0.133	20%	0.203	C	C	.	.	H	α-helix	trans	-58.2	-41.1	-177.9	166	0	0	0	0	111.7	Q466 T467 T472 L473 R488 A491 M492	Q466-V470 WeakPolarHBondContact O-CG2 3.11Å; Q466-V470 PolarHBondContact O-N 3.37Å; T467-V470 PolarHBondContact O-N 2.96Å; V470-T472 VanDerWaalsContact C-N 3.35Å; V470-L473 WeakPolarHBondContact O-CB 3.45Å; V470-L473 PolarHBondContact O-N 3.38Å; V470-R488 HydrophobicContact CG1-CG 3.71Å; V470-R488 HydrophobicContact CG2-CG 4.12Å; V470-A491 HydrophobicContact CG2-CB 4.2Å; V470-M492 HydrophobicContact CG2-CG 4.31Å; V470-M492 HydrophobicContact CG2-SD 3.96Å
471	E	94.6	Very high	96.2	Very high	80 Å²	80	37.3 Å²	37.3	37%	0.374	21%	0.212	S	C	.	.	H	α-helix	trans	-70.7	-31.6	176.5	-74.3	179.2	-156.2	0	0	113.4	T467 Y469 L473 E474 K679 K683	T467-E471 PolarHBondContact O-N 2.86Å; T467-E471 VanDerWaalsContact O-N 3.1Å; Y469-E471 VanDerWaalsContact C-N 3.28Å; Y469-E471 PolarHBondContact O-N 3.47Å; E471-L473 PolarHBondContact O-N 3.19Å; E471-E474 WeakPolarHBondContact O-CB 3.41Å; E471-E474 PolarHBondContact O-N 3.15Å; E471-K679 IonicContact OE2-NZ 2.58Å; E471-K683 IonicContact OE1-NZ 3.98Å; E471-K683 PolarHBondContact OE1-NZ 3.28Å; E471-K683 WeakPolarHBondContact OE2-CE 3.34Å; E471-K683 IonicContact OE2-NZ 3.96Å; E471-K683 PolarHBondContact OE2-NZ 2.91Å
472	T	94	Very high	96.1	Very high	9 Å²	9	41.5 Å²	41.5	6%	0.055	24%	0.24	C	C	.	.	H	α-helix	trans	-64.6	-30.6	176.3	-59.7	0	0	0	0	111.3	A468 Y469 V470 E474 E475 L476 K679 W769	A468-T472 PolarHBondContact O-N 3.48Å; A468-T472 PolarHBondContact O-OG1 2.64Å; Y469-T472 WeakPolarHBondContact O-CB 3.13Å; Y469-T472 PolarHBondContact O-N 2.61Å; V470-T472 VanDerWaalsContact C-N 3.35Å; T472-E474 PolarHBondContact O-N 3Å; T472-E474 VanDerWaalsContact O-N 3.16Å; T472-E475 WeakPolarHBondContact O-CB 3.39Å; T472-E475 PolarHBondContact O-N 2.79Å; T472-L476 HydrophobicContact CG2-CD2 4.43Å; T472-L476 WeakPolarHBondContact O-CG 3.23Å; T472-L476 PolarHBondContact O-N 3.46Å; T472-K679 PolarHBondContact OG1-NZ 3.5Å; T472-W769 WeakPolarHBondContact CG2-OXT 3.47Å
473	L	94.4	Very high	96.1	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-54	-35.8	173.1	-61.5	175.4	0	0	0	112.4	Y469 V470 E471 E475 L476 K484 A487 R488 W769	Y469-L473 HydrophobicContact CD1-CD1 4.47Å; Y469-L473 HydrophobicContact CD1-CG 4.49Å; Y469-L473 HydrophobicContact CE1-CD1 4.1Å; Y469-L473 HydrophobicContact CE1-CD2 3.97Å; Y469-L473 HydrophobicContact CE1-CG 4.14Å; Y469-L473 PolarHBondContact O-N 3.03Å; V470-L473 WeakPolarHBondContact O-CB 3.45Å; V470-L473 PolarHBondContact O-N 3.38Å; E471-L473 PolarHBondContact O-N 3.19Å; L473-E475 VanDerWaalsContact C-N 3.28Å; L473-E475 PolarHBondContact O-N 3.07Å; L473-L476 HydrophobicContact CD2-CD1 4.11Å; L473-L476 PolarHBondContact O-N 3Å; L473-K484 VanDerWaalsContact O-CD 3.25Å; L473-K484 WeakPolarHBondContact O-CD 3.23Å; L473-K484 WeakPolarHBondContact O-CE 3.5Å; L473-K484 PolarHBondContact O-NZ 2.93Å; L473-A487 HydrophobicContact CD1-CB 3.92Å; L473-A487 HydrophobicContact CD2-CB 4.05Å; L473-R488 HydrophobicContact CD1-CB 4.14Å; L473-W769 HydrophobicContact CD2-CE3 4.12Å; L473-W769 HydrophobicContact CD2-CZ3 3.75Å
474	E	92.3	Very high	96.1	Very high	103 Å²	103	39.9 Å²	39.9	48%	0.481	23%	0.226	S	C	.	.	H	α-helix	trans	-66.5	-31.6	178.6	-59.9	-51.9	138.1	0	0	112.4	E471 T472 L476 K484 R488	E471-E474 WeakPolarHBondContact O-CB 3.41Å; E471-E474 PolarHBondContact O-N 3.15Å; T472-E474 PolarHBondContact O-N 3Å; T472-E474 VanDerWaalsContact O-N 3.16Å; E474-L476 VanDerWaalsContact C-N 3.35Å; E474-K484 PolarHBondContact O-NZ 3.17Å; E474-K484 VanDerWaalsContact O-NZ 3.07Å; E474-R488 IonicContact OE1-CZ 3.59Å; E474-R488 IonicContact OE1-NH2 2.91Å; E474-R488 PolarHBondContact OE1-NH2 3.33Å
475	E	93.1	Very high	96.1	Very high	105 Å²	105	41.2 Å²	41.2	49%	0.491	23%	0.233	S	C	.	.	H	α-helix	trans	-76.6	-19.9	179.3	-57.3	171.7	-166	0	0	113.2	T472 L473 S477 K679 R767	T472-E475 WeakPolarHBondContact O-CB 3.39Å; T472-E475 PolarHBondContact O-N 2.79Å; L473-E475 VanDerWaalsContact C-N 3.28Å; L473-E475 PolarHBondContact O-N 3.07Å; E475-S477 PolarHBondContact O-N 3.44Å; E475-K679 IonicContact OE1-NZ 2.68Å; E475-K679 PolarHBondContact OE1-NZ 3.49Å; E475-R767 IonicContact OE2-NH2 3.56Å; E475-R767 PolarHBondContact OE2-NH2 2.88Å; E475-R767 VanDerWaalsContact OE2-NH2 3.12Å
476	L	95	Very high	96.1	Very high	5 Å²	5	45.3 Å²	45.3	3%	0.026	25%	0.25	C	S	.	.			trans	-72.7	109.7	-175.7	-57.9	-178.5	0	0	0	110.8	T472 L473 E474 W478 K484 V768 W769	T472-L476 HydrophobicContact CG2-CD2 4.43Å; T472-L476 WeakPolarHBondContact O-CG 3.23Å; T472-L476 PolarHBondContact O-N 3.46Å; L473-L476 HydrophobicContact CD2-CD1 4.11Å; L473-L476 PolarHBondContact O-N 3Å; E474-L476 VanDerWaalsContact C-N 3.35Å; L476-W478 VanDerWaalsContact C-N 3.3Å; L476-W478 HydrophobicContact CD1-CZ2 3.81Å; L476-W478 PolarHBondContact O-N 3.11Å; L476-K484 WeakPolarHBondContact O-CE 3.41Å; L476-K484 PolarHBondContact O-NZ 3.36Å; L476-V768 WeakPolarHBondContact CD2-O 3.43Å; L476-W769 HydrophobicContact CD1-CE3 3.62Å; L476-W769 HydrophobicContact CD1-CZ3 3.79Å
477	S	95.4	Very high	96.1	Very high	110 Å²	110	44 Å²	44	77%	0.769	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-17.5	178.7	59.7	0	0	0	0	113.7	E475	E475-S477 PolarHBondContact O-N 3.44Å
478	W	96.8	Very high	96.1	Very high	13 Å²	13	44.1 Å²	44.1	5%	0.049	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-8.3	-173.9	63.9	-104.8	0	0	0	113.4	L476 W626 H633 F634 Q637 V768 W769	L476-W478 VanDerWaalsContact C-N 3.3Å; L476-W478 HydrophobicContact CD1-CZ2 3.81Å; L476-W478 PolarHBondContact O-N 3.11Å; W478-W626 AromaticContact CH2-CH2 3.81Å; W478-W626 HydrophobicContact CH2-CH2 3.81Å; W478-W626 AromaticContact CH2-CZ3 3.92Å; W478-W626 HydrophobicContact CH2-CZ3 3.92Å; W478-W626 HydrophobicContact CZ3-CH2 4.01Å; W478-W626 AromaticContact CZ3-CZ3 3.61Å; W478-W626 HydrophobicContact CZ3-CZ3 3.61Å; W478-H633 HydrophobicContact CB-CB 4.15Å; W478-H633 HydrophobicContact CE3-CB 4.27Å; W478-H633 WeakPolarHBondContact O-CB 3.48Å; W478-F634 HydrophobicContact CH2-CB 4.38Å; W478-F634 AromaticContact CH2-CD2 3.97Å; W478-F634 HydrophobicContact CH2-CD2 3.97Å; W478-F634 HydrophobicContact CZ3-CB 3.96Å; W478-F634 HydrophobicContact CZ3-CD2 4.4Å; W478-Q637 HydrophobicContact CB-CG 4.2Å; W478-Q637 HydrophobicContact CD2-CG 4.08Å; W478-Q637 HydrophobicContact CG-CG 3.77Å; W478-V768 HydrophobicContact CZ2-CG1 4.05Å; W478-V768 VanDerWaalsContact CZ2-O 3.31Å; W478-V768 WeakPolarHBondContact CZ2-O 3.22Å; W478-V768 PolarHBondContact NE1-O 2.88Å; W478-W769 AromaticContact CH2-CH2 3.65Å; W478-W769 HydrophobicContact CH2-CH2 3.65Å; W478-W769 HydrophobicContact CH2-CZ2 4.04Å; W478-W769 AromaticContact CH2-CZ3 3.9Å; W478-W769 HydrophobicContact CH2-CZ3 3.9Å; W478-W769 HydrophobicContact CZ2-CE3 4.18Å; W478-W769 HydrophobicContact CZ2-CH2 4.13Å; W478-W769 HydrophobicContact CZ2-CZ2 4.43Å; W478-W769 AromaticContact CZ2-CZ3 3.98Å; W478-W769 HydrophobicContact CZ2-CZ3 3.98Å
479	M	97.4	Very high	96.2	Very high	8 Å²	8	47.5 Å²	47.5	4%	0.039	25%	0.254	C	S	.	.	S	Bend	trans	-114	136.7	-177.3	-162.8	178.4	-158	0	0	110.6	S483 K484 A487 W626 W769	M479-S483 WeakPolarHBondContact CE-O 3.48Å; M479-K484 HydrophobicContact CB-CG 4.07Å; M479-K484 HydrophobicContact CG-CG 3.92Å; M479-K484 WeakPolarHBondContact O-CE 3.48Å; M479-K484 HydrophobicContact SD-CG 3.89Å; M479-A487 HydrophobicContact CE-CB 3.9Å; M479-A487 HydrophobicContact SD-CB 4.43Å; M479-W626 HydrophobicContact CE-CD2 4.01Å; M479-W626 HydrophobicContact CE-CE3 4.03Å; M479-W626 HydrophobicContact CE-CH2 3.66Å; M479-W626 HydrophobicContact CE-CZ2 3.6Å; M479-W626 HydrophobicContact CE-CZ3 3.87Å; M479-W769 HydrophobicContact CE-CH2 4.32Å; M479-W769 HydrophobicContact SD-CH2 4.41Å; M479-W769 HydrophobicContact SD-CZ3 4.26Å
480	D	97.4	Very high	96.2	Very high	40 Å²	40	47.5 Å²	47.5	21%	0.214	25%	0.254	C	S	.	.			trans	-80.3	160.4	177.4	65.3	31.9	0	0	0	113.6	P482 S483 K484 S627 Y629 S630	D480-P482 WeakPolarHBondContact OD1-CD 3.48Å; D480-S483 PolarHBondContact O-N 3.32Å; D480-S483 WeakPolarHBondContact OD1-CB 3.43Å; D480-S483 PolarHBondContact OD1-N 3.16Å; D480-S483 PolarHBondContact OD1-OG 2.69Å; D480-K484 WeakPolarHBondContact O-CG 3.06Å; D480-K484 PolarHBondContact O-N 2.94Å; D480-S627 WeakPolarHBondContact OD2-CB 3.5Å; D480-S627 PolarHBondContact OD2-OG 3.29Å; D480-Y629 HydrophobicContact CB-CD1 4.1Å; D480-Y629 HydrophobicContact CB-CE1 4.49Å; D480-S630 VanDerWaalsContact CG-OG 3.31Å; D480-S630 PolarHBondContact N-OG 3.46Å; D480-S630 VanDerWaalsContact N-OG 3.08Å; D480-S630 PolarHBondContact OD1-OG 3.21Å
481	A	96.9	Very high	96.3	Very high	74 Å²	74	46.5 Å²	46.5	61%	0.612	25%	0.247	S	C	*	.	H	α-helix	trans	-57.2	-42.5	-176.4	0	0	0	0	0	114.2	K484 E485	A481-K484 PolarHBondContact O-N 3.41Å; A481-E485 PolarHBondContact O-N 3.44Å
482	P	96.7	Very high	96.4	Very high	93 Å²	93	48 Å²	48	60%	0.604	26%	0.256	S	S	*	.	H	α-helix	trans	-60.5	-43.5	174.5	-25.4	35.3	0	0	0	113.6	D480 E485 K486	D480-P482 WeakPolarHBondContact OD1-CD 3.48Å; P482-E485 PolarHBondContact O-N 3.19Å; P482-K486 PolarHBondContact O-N 3.12Å
483	S	97.6	Very high	96.5	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.014	27%	0.268	C	S	.	.	H	α-helix	trans	-69.1	-38.1	179.5	-50.4	0	0	0	0	110.7	M479 D480 E485 K486 A487 S627 S630	M479-S483 WeakPolarHBondContact CE-O 3.48Å; D480-S483 PolarHBondContact O-N 3.32Å; D480-S483 WeakPolarHBondContact OD1-CB 3.43Å; D480-S483 PolarHBondContact OD1-N 3.16Å; D480-S483 PolarHBondContact OD1-OG 2.69Å; S483-E485 VanDerWaalsContact C-N 3.34Å; S483-E485 PolarHBondContact O-N 3.4Å; S483-K486 PolarHBondContact O-N 3.41Å; S483-A487 PolarHBondContact O-N 2.79Å; S483-S627 PolarHBondContact OG-N 2.83Å; S483-S630 WeakPolarHBondContact CB-OG 3.36Å; S483-S630 WeakPolarHBondContact OG-CB 3.38Å; S483-S630 PolarHBondContact OG-OG 3.42Å
484	K	97.8	Very high	96.7	Very high	24 Å²	24	50.1 Å²	50.1	10%	0.104	27%	0.272	C	S	.	.	H	α-helix	trans	-59.2	-42	173.1	-73.3	-178.3	-176.9	-161.5	0	112.4	L473 E474 L476 M479 D480 A481 K486 A487 R488	L473-K484 VanDerWaalsContact O-CD 3.25Å; L473-K484 WeakPolarHBondContact O-CD 3.23Å; L473-K484 WeakPolarHBondContact O-CE 3.5Å; L473-K484 PolarHBondContact O-NZ 2.93Å; E474-K484 PolarHBondContact O-NZ 3.17Å; E474-K484 VanDerWaalsContact O-NZ 3.07Å; L476-K484 WeakPolarHBondContact O-CE 3.41Å; L476-K484 PolarHBondContact O-NZ 3.36Å; M479-K484 HydrophobicContact CB-CG 4.07Å; M479-K484 HydrophobicContact CG-CG 3.92Å; M479-K484 WeakPolarHBondContact O-CE 3.48Å; M479-K484 HydrophobicContact SD-CG 3.89Å; D480-K484 WeakPolarHBondContact O-CG 3.06Å; D480-K484 PolarHBondContact O-N 2.94Å; A481-K484 PolarHBondContact O-N 3.41Å; K484-K486 VanDerWaalsContact C-N 3.34Å; K484-K486 PolarHBondContact O-N 3.3Å; K484-A487 PolarHBondContact O-N 2.84Å; K484-R488 WeakPolarHBondContact O-CB 3.1Å; K484-R488 PolarHBondContact O-N 2.97Å
485	E	96.8	Very high	96.8	Very high	86 Å²	86	49 Å²	49	40%	0.402	27%	0.266	S	S	.	.	H	α-helix	trans	-60	-45.7	175.6	-171	62.8	-130.1	0	0	111	A481 P482 S483 A487 R488 E489	A481-E485 PolarHBondContact O-N 3.44Å; P482-E485 PolarHBondContact O-N 3.19Å; S483-E485 VanDerWaalsContact C-N 3.34Å; S483-E485 PolarHBondContact O-N 3.4Å; E485-A487 PolarHBondContact O-N 3.23Å; E485-R488 WeakPolarHBondContact O-CB 3.4Å; E485-R488 PolarHBondContact O-N 3.35Å; E485-R488 IonicContact OE1-NH1 3.42Å; E485-R488 PolarHBondContact OE1-NH1 3.2Å; E485-R488 IonicContact OE2-CZ 3.47Å; E485-R488 IonicContact OE2-NH1 3.44Å; E485-R488 PolarHBondContact OE2-NH1 2.97Å; E485-E489 WeakPolarHBondContact O-CG 3.35Å; E485-E489 PolarHBondContact O-N 3.49Å
486	K	97.6	Very high	96.9	Very high	85 Å²	85	47.4 Å²	47.4	37%	0.37	26%	0.258	S	S	.	.	H	α-helix	trans	-65.1	-38.2	176.6	-66.8	-49.2	-170.8	-169.2	0	113.3	P482 S483 K484 R488 E489 K490 W625	P482-K486 PolarHBondContact O-N 3.12Å; S483-K486 PolarHBondContact O-N 3.41Å; K484-K486 VanDerWaalsContact C-N 3.34Å; K484-K486 PolarHBondContact O-N 3.3Å; K486-R488 VanDerWaalsContact C-N 3.3Å; K486-R488 PolarHBondContact O-N 3.16Å; K486-E489 VanDerWaalsContact CD-OE2 3.31Å; K486-E489 WeakPolarHBondContact CD-OE2 3.14Å; K486-E489 IonicContact NZ-OE1 3.65Å; K486-E489 PolarHBondContact NZ-OE1 3.32Å; K486-E489 IonicContact NZ-OE2 3.47Å; K486-E489 PolarHBondContact NZ-OE2 3.04Å; K486-E489 PolarHBondContact O-N 3.03Å; K486-K490 WeakPolarHBondContact O-CB 3.38Å; K486-K490 PolarHBondContact O-N 3.49Å; K486-W625 HydrophobicContact CB-CD2 4.41Å; K486-W625 HydrophobicContact CB-CE3 3.4Å; K486-W625 VanDerWaalsContact CB-CE3 3.4Å; K486-W625 HydrophobicContact CB-CZ3 3.84Å; K486-W625 HydrophobicContact CG-CE3 4.42Å
487	A	97.9	Very high	96.9	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-63.3	-39.3	173.9	0	0	0	0	0	111.4	L473 M479 S483 K484 E485 K490 A491 F609 W625	L473-A487 HydrophobicContact CD1-CB 3.92Å; L473-A487 HydrophobicContact CD2-CB 4.05Å; M479-A487 HydrophobicContact CE-CB 3.9Å; M479-A487 HydrophobicContact SD-CB 4.43Å; S483-A487 PolarHBondContact O-N 2.79Å; K484-A487 PolarHBondContact O-N 2.84Å; E485-A487 PolarHBondContact O-N 3.23Å; A487-K490 PolarHBondContact O-N 3.35Å; A487-A491 VanDerWaalsContact O-CB 3.31Å; A487-A491 WeakPolarHBondContact O-CB 3.14Å; A487-A491 PolarHBondContact O-N 3.14Å; A487-F609 HydrophobicContact CB-CD1 4.44Å; A487-F609 HydrophobicContact CB-CE1 4.03Å; A487-F609 WeakPolarHBondContact O-CZ 3.5Å; A487-W625 HydrophobicContact CB-CH2 4.36Å; A487-W625 HydrophobicContact CB-CZ3 4.12Å
488	R	97.6	Very high	96.9	Very high	65 Å²	65	43.7 Å²	43.7	25%	0.245	23%	0.228	C	C	.	.	H	α-helix	trans	-64.1	-48.8	174	-168.9	-175.7	-49.5	122.8	0.1	111.8	V470 L473 E474 K484 E485 K486 K490 A491 M492	V470-R488 HydrophobicContact CG1-CG 3.71Å; V470-R488 HydrophobicContact CG2-CG 4.12Å; L473-R488 HydrophobicContact CD1-CB 4.14Å; E474-R488 IonicContact OE1-CZ 3.59Å; E474-R488 IonicContact OE1-NH2 2.91Å; E474-R488 PolarHBondContact OE1-NH2 3.33Å; K484-R488 WeakPolarHBondContact O-CB 3.1Å; K484-R488 PolarHBondContact O-N 2.97Å; E485-R488 WeakPolarHBondContact O-CB 3.4Å; E485-R488 PolarHBondContact O-N 3.35Å; E485-R488 IonicContact OE1-NH1 3.42Å; E485-R488 PolarHBondContact OE1-NH1 3.2Å; E485-R488 IonicContact OE2-CZ 3.47Å; E485-R488 IonicContact OE2-NH1 3.44Å; E485-R488 PolarHBondContact OE2-NH1 2.97Å; K486-R488 VanDerWaalsContact C-N 3.3Å; K486-R488 PolarHBondContact O-N 3.16Å; R488-K490 VanDerWaalsContact C-N 3.28Å; R488-K490 PolarHBondContact O-N 3.11Å; R488-A491 PolarHBondContact O-N 2.89Å; R488-M492 HydrophobicContact CG-CG 4.37Å; R488-M492 WeakPolarHBondContact O-CB 3.39Å; R488-M492 VanDerWaalsContact O-CG 3.29Å; R488-M492 WeakPolarHBondContact O-CG 3.22Å; R488-M492 PolarHBondContact O-N 3.28Å
489	E	97.6	Very high	96.9	Very high	71 Å²	71	43 Å²	43	33%	0.332	23%	0.226	S	C	.	.	H	α-helix	trans	-54.3	-46.4	176.3	-73.7	176.1	-161.4	0	0	111	E485 K486 A493	E485-E489 WeakPolarHBondContact O-CG 3.35Å; E485-E489 PolarHBondContact O-N 3.49Å; K486-E489 VanDerWaalsContact CD-OE2 3.31Å; K486-E489 WeakPolarHBondContact CD-OE2 3.14Å; K486-E489 IonicContact NZ-OE1 3.65Å; K486-E489 PolarHBondContact NZ-OE1 3.32Å; K486-E489 IonicContact NZ-OE2 3.47Å; K486-E489 PolarHBondContact NZ-OE2 3.04Å; K486-E489 PolarHBondContact O-N 3.03Å; E489-A493 WeakPolarHBondContact O-CB 3.47Å; E489-A493 PolarHBondContact O-N 3.16Å
490	K	98.1	Very high	96.8	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.009	23%	0.23	C	C	.	.	H	α-helix	trans	-65	-47.7	177.6	179.6	172.8	-173.4	-177.9	0	112.4	K486 A487 R488 M492 A493 I494 Y565 N570 G608 F609 G613 F616 K618 W625	K486-K490 WeakPolarHBondContact O-CB 3.38Å; K486-K490 PolarHBondContact O-N 3.49Å; A487-K490 PolarHBondContact O-N 3.35Å; R488-K490 VanDerWaalsContact C-N 3.28Å; R488-K490 PolarHBondContact O-N 3.11Å; K490-M492 VanDerWaalsContact C-N 3.29Å; K490-M492 PolarHBondContact O-N 2.9Å; K490-A493 PolarHBondContact O-N 3.4Å; K490-I494 PolarHBondContact O-N 3.12Å; K490-Y565 PolarHBondContact NZ-OH 3.26Å; K490-N570 PolarHBondContact O-ND2 2.93Å; K490-G608 WeakPolarHBondContact CE-O 3Å; K490-G608 PolarHBondContact NZ-O 3.41Å; K490-F609 HydrophobicContact CB-CE1 4.01Å; K490-F609 HydrophobicContact CB-CZ 4.05Å; K490-F609 HydrophobicContact CD-CD1 4.46Å; K490-F609 HydrophobicContact CD-CE1 3.82Å; K490-F609 HydrophobicContact CD-CZ 4.09Å; K490-F609 HydrophobicContact CG-CE1 4.01Å; K490-F609 HydrophobicContact CG-CZ 3.88Å; K490-G613 PolarHBondContact NZ-O 3.14Å; K490-F616 WeakPolarHBondContact CE-O 3.18Å; K490-F616 PolarHBondContact NZ-O 3.26Å; K490-K618 HydrophobicContact CB-CB 4.22Å; K490-W625 HydrophobicContact CD-CH2 4.18Å; K490-W625 HydrophobicContact CD-CZ2 3.74Å
491	A	97.6	Very high	96.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-59.8	-42.7	-177.7	0	0	0	0	0	111	Q466 Y469 V470 A487 R488 A493 I494 F609	Q466-A491 PolarHBondContact NE2-O 3.36Å; Y469-A491 HydrophobicContact CD1-CB 3.68Å; Y469-A491 HydrophobicContact CE1-CB 3.76Å; V470-A491 HydrophobicContact CG2-CB 4.2Å; A487-A491 VanDerWaalsContact O-CB 3.31Å; A487-A491 WeakPolarHBondContact O-CB 3.14Å; A487-A491 PolarHBondContact O-N 3.14Å; R488-A491 PolarHBondContact O-N 2.89Å; A491-A493 VanDerWaalsContact C-N 3.26Å; A491-A493 PolarHBondContact O-N 3.03Å; A491-I494 WeakPolarHBondContact O-CB 3.31Å; A491-I494 WeakPolarHBondContact O-CG1 3.45Å; A491-I494 PolarHBondContact O-N 3.24Å; A491-F609 HydrophobicContact CB-CE2 4.17Å; A491-F609 HydrophobicContact CB-CZ 3.75Å
492	M	96.6	Very high	96.3	Very high	112 Å²	112	43.1 Å²	43.1	55%	0.552	21%	0.214	S	C	*	.	H	α-helix	trans	-72.1	-18.4	178.1	-65.9	-59.3	-63.9	0	0	113.6	Q466 V470 R488 K490	Q466-M492 HydrophobicContact CG-SD 4.33Å; V470-M492 HydrophobicContact CG2-CG 4.31Å; V470-M492 HydrophobicContact CG2-SD 3.96Å; R488-M492 HydrophobicContact CG-CG 4.37Å; R488-M492 WeakPolarHBondContact O-CB 3.39Å; R488-M492 VanDerWaalsContact O-CG 3.29Å; R488-M492 WeakPolarHBondContact O-CG 3.22Å; R488-M492 PolarHBondContact O-N 3.28Å; K490-M492 VanDerWaalsContact C-N 3.29Å; K490-M492 PolarHBondContact O-N 2.9Å
493	A	97	Very high	96.1	Very high	37 Å²	37	40.3 Å²	40.3	31%	0.306	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-4.9	176.7	0	0	0	0	0	113.6	E489 K490 A491 K495 K618	E489-A493 WeakPolarHBondContact O-CB 3.47Å; E489-A493 PolarHBondContact O-N 3.16Å; K490-A493 PolarHBondContact O-N 3.4Å; A491-A493 VanDerWaalsContact C-N 3.26Å; A491-A493 PolarHBondContact O-N 3.03Å; A493-K495 PolarHBondContact O-N 2.85Å; A493-K618 HydrophobicContact CB-CB 3.86Å
494	I	97	Very high	95.9	Very high	17 Å²	17	40.2 Å²	40.2	9%	0.087	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-59.1	127.3	177.7	-68.6	170.1	0	0	0	109.6	K490 A491 N570 I572 I605 F609	K490-I494 PolarHBondContact O-N 3.12Å; A491-I494 WeakPolarHBondContact O-CB 3.31Å; A491-I494 WeakPolarHBondContact O-CG1 3.45Å; A491-I494 PolarHBondContact O-N 3.24Å; I494-N570 CarbonylContact C-O 3.59Å; I494-N570 VanDerWaalsContact CA-O 3.32Å; I494-N570 WeakPolarHBondContact CA-O 3.39Å; I494-N570 WeakPolarHBondContact CG1-OD1 3.08Å; I494-I572 HydrophobicContact CG2-CB 4.34Å; I494-I572 HydrophobicContact CG2-CD1 3.85Å; I494-I572 HydrophobicContact CG2-CG1 3.78Å; I494-I572 HydrophobicContact CG2-CG2 3.84Å; I494-I605 HydrophobicContact CD1-CB 4.47Å; I494-I605 HydrophobicContact CD1-CG1 4.41Å; I494-I605 HydrophobicContact CD1-CG2 4.02Å; I494-F609 HydrophobicContact CD1-CE2 4.29Å
495	K	95.5	Very high	95.7	Very high	81 Å²	81	41.4 Å²	41.4	35%	0.352	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	133.7	175.3	-65.1	-177.3	178.6	-173.4	0	110.9	A493 D552 N570 Q571 I572	A493-K495 PolarHBondContact O-N 2.85Å; K495-D552 IonicContact NZ-OD1 3.41Å; K495-N570 PolarHBondContact N-O 3.23Å; K495-Q571 HydrophobicContact CB-CB 4.38Å; K495-Q571 HydrophobicContact CB-CG 4.34Å; K495-Q571 CarbonylContact O-C 3.52Å; K495-Q571 VanDerWaalsContact O-CA 3.31Å; K495-Q571 WeakPolarHBondContact O-CA 3.31Å; K495-I572 PolarHBondContact O-N 3.41Å
496	E	94.8	Very high	95.5	Very high	70 Å²	70	41.5 Å²	41.5	33%	0.327	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	138.4	178.1	64.9	-177.8	-141	0	0	113.2	S459 I462 I498 I572	S459-E496 WeakPolarHBondContact CB-OE1 3.45Å; S459-E496 PolarHBondContact OG-OE1 3.08Å; I462-E496 WeakPolarHBondContact CB-OE2 3.48Å; I462-E496 HydrophobicContact CD1-CB 4.09Å; I462-E496 WeakPolarHBondContact CG2-OE2 3.25Å; E496-I498 HydrophobicContact CG-CD1 4.34Å; E496-I572 HydrophobicContact CB-CD1 4.47Å; E496-I572 HydrophobicContact CB-CG1 4.18Å
497	H	95.4	Very high	95	Very high	30 Å²	30	42.5 Å²	42.5	14%	0.139	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	121.2	170.8	-79.4	-14.8	0	0	0	110.3	W554 Q571 I572 V573 F574	H497-W554 HydrophobicContact CB-CD2 4.12Å; H497-W554 HydrophobicContact CB-CE3 4.41Å; H497-W554 HydrophobicContact CB-CH2 3.83Å; H497-W554 HydrophobicContact CB-CZ2 3.52Å; H497-W554 HydrophobicContact CB-CZ3 4.28Å; H497-W554 AromaticContact CD2-CD1 3.51Å; H497-W554 AromaticContact CD2-CE2 3.85Å; H497-W554 AromaticContact CD2-CG 3.98Å; H497-W554 AromaticContact CD2-NE1 3.42Å; H497-W554 PolarHBondContact CD2-NE1 3.41Å; H497-W554 AromaticContact CE1-NE1 3.86Å; H497-W554 AromaticContact CG-CE2 3.61Å; H497-W554 AromaticContact CG-CZ2 3.87Å; H497-W554 AromaticContact CG-NE1 3.49Å; H497-W554 AromaticContact ND1-NE1 3.77Å; H497-W554 AromaticContact NE2-CD1 3.74Å; H497-W554 AromaticContact NE2-NE1 3.68Å; H497-Q571 PolarHBondContact CD2-NE2 3.44Å; H497-Q571 PolarHBondContact NE2-NE2 3.12Å; H497-I572 PolarHBondContact N-O 3.09Å; H497-V573 HydrophobicContact CB-CB 4.35Å; H497-V573 HydrophobicContact CB-CG1 4.01Å; H497-V573 HydrophobicContact CB-CG2 4.04Å; H497-V573 WeakPolarHBondContact O-CA 3.38Å; H497-F574 PolarHBondContact O-N 2.98Å
498	I	95.8	Very high	94.6	Very high	7 Å²	7	48.1 Å²	48.1	4%	0.036	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	124.4	-166	-52.6	169.1	0	0	0	110.3	K455 V458 I462 E496 Y500 L579	K455-I498 HydrophobicContact CB-CG2 4.5Å; K455-I498 HydrophobicContact CG-CB 4.1Å; K455-I498 HydrophobicContact CG-CG2 4.07Å; V458-I498 HydrophobicContact CB-CG2 3.87Å; V458-I498 HydrophobicContact CG1-CD1 4.34Å; V458-I498 HydrophobicContact CG1-CG1 4.45Å; V458-I498 HydrophobicContact CG1-CG2 3.75Å; I462-I498 HydrophobicContact CD1-CD1 3.65Å; I462-I498 HydrophobicContact CD1-CG1 3.87Å; E496-I498 HydrophobicContact CG-CD1 4.34Å; I498-Y500 PolarHBondContact O-N 2.96Å; I498-L579 HydrophobicContact CG2-CD1 3.87Å
499	G	95.3	Very high	94.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	79.1	-76.2	177.2	0	0	0	0	0	112.7	A558 F574 P575 A576	G499-A558 VanDerWaalsContact O-CB 3.29Å; G499-A558 WeakPolarHBondContact O-CB 3.47Å; G499-F574 PolarHBondContact N-O 3.43Å; G499-P575 CarbonylContact O-C 3.54Å; G499-A576 PolarHBondContact O-N 2.95Å
500	Y	95.1	Very high	94.2	Very high	33 Å²	33	50.2 Å²	50.2	13%	0.129	26%	0.259	C	S	.	.	S	Bend	trans	-159.2	156.4	-173.6	60.3	-85.2	0	0	0	112.6	V446 F450 I498 I504 L505 W554	V446-Y500 HydrophobicContact CB-CD1 4.26Å; V446-Y500 HydrophobicContact CG1-CD1 3.29Å; V446-Y500 HydrophobicContact CG1-CD2 4.34Å; V446-Y500 HydrophobicContact CG1-CE1 3.39Å; V446-Y500 HydrophobicContact CG1-CE2 4.43Å; V446-Y500 HydrophobicContact CG1-CG 3.82Å; V446-Y500 HydrophobicContact CG2-CD1 3.9Å; V446-Y500 HydrophobicContact CG2-CG 4.04Å; F450-Y500 HydrophobicContact CD1-CD1 4.09Å; F450-Y500 AromaticContact CD1-CE1 3.68Å; F450-Y500 HydrophobicContact CD1-CE1 3.68Å; F450-Y500 HydrophobicContact CE1-CD1 4.28Å; F450-Y500 AromaticContact CE1-CE1 3.91Å; F450-Y500 HydrophobicContact CE1-CE1 3.91Å; I498-Y500 PolarHBondContact O-N 2.96Å; Y500-I504 HydrophobicContact CD2-CD1 4.37Å; Y500-I504 HydrophobicContact CD2-CG1 4.2Å; Y500-I504 HydrophobicContact CG-CD1 4.49Å; Y500-L505 HydrophobicContact CD2-CD1 4.05Å; Y500-L505 HydrophobicContact CD2-CG 4.01Å; Y500-L505 HydrophobicContact CE1-CD1 4.21Å; Y500-L505 HydrophobicContact CE2-CB 4.35Å; Y500-L505 HydrophobicContact CE2-CD1 3.31Å; Y500-L505 HydrophobicContact CE2-CG 3.65Å; Y500-L505 VanDerWaalsContact CZ-CD1 3.4Å; Y500-L505 WeakPolarHBondContact OH-CD1 3.15Å; Y500-W554 VanDerWaalsContact O-CZ2 3.27Å; Y500-W554 WeakPolarHBondContact O-CZ2 3.25Å
501	P	93.7	Very high	94.1	Very high	5 Å²	5	54.8 Å²	54.8	3%	0.032	28%	0.279	C	S	.	.			trans	-70.5	127.1	171	24.3	-29.8	0	0	0	111.2	H503 I504 W554	P501-H503 PolarHBondContact O-N 3.22Å; P501-I504 HydrophobicContact CG-CD1 4.28Å; P501-I504 HydrophobicContact CG-CG2 3.79Å; P501-I504 WeakPolarHBondContact O-CG1 3.46Å; P501-I504 PolarHBondContact O-N 3.17Å; P501-I504 VanDerWaalsContact O-N 3.17Å; P501-W554 HydrophobicContact CB-CD2 4.08Å; P501-W554 HydrophobicContact CB-CG 4.04Å; P501-W554 HydrophobicContact CG-CD2 4.11Å; P501-W554 HydrophobicContact CG-CG 4.19Å
502	D	91.4	Very high	94	Very high	86 Å²	86	54.8 Å²	54.8	46%	0.46	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-58.1	-31.3	-167.8	-65.3	-33.9	0	0	0	114.2	K455 I504 L505 Q506	K455-D502 IonicContact NZ-OD1 2.64Å; K455-D502 PolarHBondContact NZ-OD1 3.03Å; K455-D502 IonicContact NZ-OD2 3.85Å; D502-I504 PolarHBondContact O-N 3.47Å; D502-L505 PolarHBondContact O-N 2.98Å; D502-Q506 WeakPolarHBondContact O-CG 3.03Å
503	H	91.9	Very high	94	Very high	33 Å²	33	51 Å²	51	15%	0.153	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-63.2	-23.5	-177.1	68.1	-89.2	0	0	0	114.1	P501 L505 Q506 N509	P501-H503 PolarHBondContact O-N 3.22Å; H503-L505 VanDerWaalsContact C-N 3.27Å; H503-L505 PolarHBondContact O-N 2.65Å; H503-Q506 PolarHBondContact O-N 3.27Å; H503-N509 WeakPolarHBondContact CB-ND2 3.36Å
504	I	94.5	Very high	93.9	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-73.5	-20.7	-176.8	77.8	-178.4	0	0	0	112.7	N439 A443 Y500 P501 D502 L512	N439-I504 HydrophobicContact CB-CG2 3.94Å; A443-I504 HydrophobicContact CB-CB 4.12Å; A443-I504 HydrophobicContact CB-CD1 4.31Å; A443-I504 HydrophobicContact CB-CG1 4.09Å; A443-I504 WeakPolarHBondContact CB-O 3.38Å; Y500-I504 HydrophobicContact CD2-CD1 4.37Å; Y500-I504 HydrophobicContact CD2-CG1 4.2Å; Y500-I504 HydrophobicContact CG-CD1 4.49Å; P501-I504 HydrophobicContact CG-CD1 4.28Å; P501-I504 HydrophobicContact CG-CG2 3.79Å; P501-I504 WeakPolarHBondContact O-CG1 3.46Å; P501-I504 PolarHBondContact O-N 3.17Å; P501-I504 VanDerWaalsContact O-N 3.17Å; D502-I504 PolarHBondContact O-N 3.47Å; I504-L512 HydrophobicContact CB-CD2 4.48Å; I504-L512 HydrophobicContact CG2-CD1 4.4Å
505	L	92.7	Very high	93.8	Very high	50 Å²	50	56.2 Å²	56.2	26%	0.262	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-98.7	-7.4	175.2	-62.3	-167.8	0	0	0	113.5	A443 V446 R447 Y500 D502 H503 E507	A443-L505 HydrophobicContact CB-CD2 4.33Å; V446-L505 HydrophobicContact CB-CD2 4.48Å; V446-L505 HydrophobicContact CG1-CD1 3.75Å; V446-L505 HydrophobicContact CG1-CD2 4.32Å; V446-L505 HydrophobicContact CG1-CG 4.4Å; R447-L505 HydrophobicContact CG-CD2 3.75Å; Y500-L505 HydrophobicContact CD2-CD1 4.05Å; Y500-L505 HydrophobicContact CD2-CG 4.01Å; Y500-L505 HydrophobicContact CE1-CD1 4.21Å; Y500-L505 HydrophobicContact CE2-CB 4.35Å; Y500-L505 HydrophobicContact CE2-CD1 3.31Å; Y500-L505 HydrophobicContact CE2-CG 3.65Å; Y500-L505 VanDerWaalsContact CZ-CD1 3.4Å; Y500-L505 WeakPolarHBondContact OH-CD1 3.15Å; D502-L505 PolarHBondContact O-N 2.98Å; H503-L505 VanDerWaalsContact C-N 3.27Å; H503-L505 PolarHBondContact O-N 2.65Å; L505-E507 PolarHBondContact O-N 3.4Å
506	Q	92.4	Very high	93.8	Very high	87 Å²	87	52.9 Å²	52.9	41%	0.407	26%	0.264	S	S	.	.			trans	-82.8	101	-179.9	-69.2	170.9	3.1	0	0	109.8	R152 D502 H503 S508 N509	R152-Q506 PolarHBondContact NH1-O 2.71Å; D502-Q506 WeakPolarHBondContact O-CG 3.03Å; H503-Q506 PolarHBondContact O-N 3.27Å; Q506-S508 PolarHBondContact O-N 3.1Å; Q506-N509 HydrophobicContact CB-CB 3.62Å; Q506-N509 WeakPolarHBondContact O-CB 3.25Å; Q506-N509 PolarHBondContact O-N 2.71Å; Q506-N509 PolarHBondContact OE1-ND2 3.18Å; Q506-N509 VanDerWaalsContact OE1-ND2 3.07Å
507	E	86.8	Confident	93.9	Very high	106 Å²	106	52.5 Å²	52.5	50%	0.495	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-31.4	-178.3	-62.3	-59.6	162.6	0	0	113.4	R152 R447 L505 N509	R152-E507 IonicContact CZ-OE2 3.57Å; R152-E507 IonicContact NH1-OE2 3.6Å; R152-E507 PolarHBondContact NH2-O 3.11Å; R447-E507 IonicContact CZ-OE1 2.89Å; R447-E507 IonicContact NE-OE1 2.79Å; R447-E507 IonicContact NH1-OE1 3.73Å; R447-E507 IonicContact NH2-OE1 3.75Å; R447-E507 PolarHBondContact NH2-OE1 3.42Å; R447-E507 IonicContact NH2-OE2 3.24Å; L505-E507 PolarHBondContact O-N 3.4Å; E507-N509 VanDerWaalsContact C-N 3.27Å; E507-N509 PolarHBondContact O-N 2.99Å
508	S	90	Very high	93.8	Very high	119 Å²	119	56 Å²	56	83%	0.832	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-9.8	176.3	60.7	0	0	0	0	113.9	Q506	Q506-S508 PolarHBondContact O-N 3.1Å
509	N	92.8	Very high	93.9	Very high	46 Å²	46	55.9 Å²	55.9	25%	0.246	29%	0.289	C	S	.	.			trans	-90.3	121.4	-179.2	-167.6	-29.3	0	0	0	109.6	R152 H503 Q506 E507 K511	R152-N509 PolarHBondContact NH2-O 2.67Å; H503-N509 WeakPolarHBondContact CB-ND2 3.36Å; Q506-N509 HydrophobicContact CB-CB 3.62Å; Q506-N509 WeakPolarHBondContact O-CB 3.25Å; Q506-N509 PolarHBondContact O-N 2.71Å; Q506-N509 PolarHBondContact OE1-ND2 3.18Å; Q506-N509 VanDerWaalsContact OE1-ND2 3.07Å; E507-N509 VanDerWaalsContact C-N 3.27Å; E507-N509 PolarHBondContact O-N 2.99Å; N509-K511 VanDerWaalsContact C-N 3.34Å; N509-K511 WeakPolarHBondContact OD1-CB 3.05Å; N509-K511 PolarHBondContact OD1-N 2.88Å
510	Q	94.6	Very high	93.9	Very high	133 Å²	133	62.3 Å²	62.3	62%	0.621	32%	0.323	S	S	*	.			trans	-82.4	-9.9	-177.4	-68.2	-176.4	-25.7	0	0	113.4	L512 D513 E514	Q510-L512 PolarHBondContact O-N 3.31Å; Q510-L512 VanDerWaalsContact O-N 3.1Å; Q510-D513 PolarHBondContact O-N 2.9Å; Q510-E514 HydrophobicContact CB-CG 4.38Å; Q510-E514 WeakPolarHBondContact O-CG 2.98Å; Q510-E514 PolarHBondContact O-N 2.93Å
511	K	94.8	Very high	94	Very high	98 Å²	98	61.5 Å²	61.5	43%	0.426	32%	0.32	S	S	.	.	H	α-helix	trans	-52.8	-38.4	-174.8	-176.2	171.3	179.1	174.9	0	113.4	N509 E515	N509-K511 VanDerWaalsContact C-N 3.34Å; N509-K511 WeakPolarHBondContact OD1-CB 3.05Å; N509-K511 PolarHBondContact OD1-N 2.88Å; K511-E515 WeakPolarHBondContact O-CB 3.13Å; K511-E515 PolarHBondContact O-N 2.99Å
512	L	95.5	Very high	94.2	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-67.9	-41.1	179	-177.2	62.5	0	0	0	112.4	A154 N439 A443 I504 Q510 Y516	A154-L512 HydrophobicContact CB-CD2 4.45Å; A154-L512 HydrophobicContact CB-CG 3.9Å; N439-L512 HydrophobicContact CB-CD1 3.61Å; A443-L512 HydrophobicContact CB-CD2 4.25Å; I504-L512 HydrophobicContact CB-CD2 4.48Å; I504-L512 HydrophobicContact CG2-CD1 4.4Å; Q510-L512 PolarHBondContact O-N 3.31Å; Q510-L512 VanDerWaalsContact O-N 3.1Å; L512-Y516 HydrophobicContact CD1-CD2 4.45Å; L512-Y516 HydrophobicContact CD1-CE2 3.84Å; L512-Y516 VanDerWaalsContact O-CD2 3.32Å; L512-Y516 WeakPolarHBondContact O-CD2 3.43Å
513	D	96.8	Very high	94.5	Very high	33 Å²	33	64.6 Å²	64.6	18%	0.176	34%	0.336	C	S	.	.	H	α-helix	trans	-72.7	-37.4	178.5	-66.3	-41	0	0	0	110.9	R152 D153 A154 Q510 E515 Y516 A517	R152-D513 WeakPolarHBondContact CB-OD1 3.48Å; R152-D513 WeakPolarHBondContact CD-OD1 3.37Å; R152-D513 IonicContact CZ-OD2 3.78Å; R152-D513 IonicContact NE-OD1 3.74Å; R152-D513 PolarHBondContact NE-OD1 3.48Å; R152-D513 IonicContact NE-OD2 2.9Å; R152-D513 PolarHBondContact NE-OD2 3.16Å; R152-D513 IonicContact NH2-OD2 3.94Å; R152-D513 PolarHBondContact NH2-OD2 3.04Å; D153-D513 HydrophobicContact CB-CB 4.48Å; D153-D513 PolarHBondContact N-OD1 3.45Å; A154-D513 WeakPolarHBondContact CB-OD1 3.46Å; A154-D513 PolarHBondContact N-OD1 3.4Å; Q510-D513 PolarHBondContact O-N 2.9Å; D513-E515 VanDerWaalsContact C-N 3.35Å; D513-E515 PolarHBondContact O-N 2.85Å; D513-Y516 PolarHBondContact O-N 3.15Å; D513-A517 PolarHBondContact O-N 3.05Å; D513-A517 VanDerWaalsContact O-N 3.09Å
514	E	95.6	Very high	94.7	Very high	121 Å²	121	68.7 Å²	68.7	57%	0.565	36%	0.355	S	S	*	.	H	α-helix	trans	-63.4	-36.6	174.9	-71.2	173.1	172.4	0	0	112.8	Q510 Y516 A517	Q510-E514 HydrophobicContact CB-CG 4.38Å; Q510-E514 WeakPolarHBondContact O-CG 2.98Å; Q510-E514 PolarHBondContact O-N 2.93Å; E514-Y516 PolarHBondContact O-N 3.45Å; E514-A517 WeakPolarHBondContact O-CB 3.39Å; E514-A517 PolarHBondContact O-N 3.23Å
515	E	94.2	Very high	94.9	Very high	43 Å²	43	71.8 Å²	71.8	20%	0.201	37%	0.369	C	S	.	.	H	α-helix	trans	-58.3	-32	178.4	176.6	166.2	-156.4	0	0	112.9	N439 K511 D513 H518 K540	N439-E515 PolarHBondContact ND2-OE2 2.67Å; K511-E515 WeakPolarHBondContact O-CB 3.13Å; K511-E515 PolarHBondContact O-N 2.99Å; D513-E515 VanDerWaalsContact C-N 3.35Å; D513-E515 PolarHBondContact O-N 2.85Å; E515-H518 PolarHBondContact O-CE1 2.91Å; E515-H518 VanDerWaalsContact O-CE1 3.23Å; E515-K540 IonicContact OE1-NZ 3.66Å; E515-K540 PolarHBondContact OE1-NZ 3.08Å
516	Y	96.6	Very high	95.1	Very high	11 Å²	11	70.6 Å²	70.6	4%	0.043	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	11	-177.5	-55	-68.8	0	0	0	112.8	A154 K157 M437 E438 N439 A440 L512 D513 E514 H518 L519	A154-Y516 HydrophobicContact CB-CD2 3.73Å; A154-Y516 HydrophobicContact CB-CE2 4.41Å; K157-Y516 PolarHBondContact NZ-O 3.5Å; M437-Y516 VanDerWaalsContact C-OH 3.24Å; M437-Y516 WeakPolarHBondContact CA-OH 3.46Å; M437-Y516 HydrophobicContact CB-CE1 4.06Å; M437-Y516 HydrophobicContact CE-CD1 3.69Å; M437-Y516 HydrophobicContact CE-CD2 3.81Å; M437-Y516 HydrophobicContact CE-CE1 4.14Å; M437-Y516 HydrophobicContact CE-CE2 4.23Å; M437-Y516 HydrophobicContact CE-CG 3.51Å; M437-Y516 HydrophobicContact CG-CD1 4.28Å; M437-Y516 HydrophobicContact CG-CE1 4.04Å; E438-Y516 PolarHBondContact N-OH 3.42Å; N439-Y516 PolarHBondContact N-OH 3.37Å; A440-Y516 HydrophobicContact CB-CD2 4.39Å; A440-Y516 HydrophobicContact CB-CE2 3.82Å; L512-Y516 HydrophobicContact CD1-CD2 4.45Å; L512-Y516 HydrophobicContact CD1-CE2 3.84Å; L512-Y516 VanDerWaalsContact O-CD2 3.32Å; L512-Y516 WeakPolarHBondContact O-CD2 3.43Å; D513-Y516 PolarHBondContact O-N 3.15Å; E514-Y516 PolarHBondContact O-N 3.45Å; Y516-H518 VanDerWaalsContact C-N 3.3Å; Y516-H518 PolarHBondContact O-N 3.44Å; Y516-L519 HydrophobicContact CD1-CD1 3.75Å; Y516-L519 HydrophobicContact CG-CD1 4.44Å; Y516-L519 PolarHBondContact O-N 3.19Å
517	A	96.5	Very high	95.4	Very high	62 Å²	62	66.7 Å²	66.7	51%	0.512	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-35.9	-173.2	0	0	0	0	0	113.2	K157 D513 E514 L519	K157-A517 PolarHBondContact NZ-O 3.11Å; D513-A517 PolarHBondContact O-N 3.05Å; D513-A517 VanDerWaalsContact O-N 3.09Å; E514-A517 WeakPolarHBondContact O-CB 3.39Å; E514-A517 PolarHBondContact O-N 3.23Å; A517-L519 VanDerWaalsContact C-N 3.3Å; A517-L519 PolarHBondContact O-N 2.7Å
518	H	93.8	Very high	96	Very high	103 Å²	103	64.3 Å²	64.3	48%	0.477	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-13.9	-179.2	60.6	-74.7	0	0	0	114.2	E515 Y516 S536	E515-H518 PolarHBondContact O-CE1 2.91Å; E515-H518 VanDerWaalsContact O-CE1 3.23Å; Y516-H518 VanDerWaalsContact C-N 3.3Å; Y516-H518 PolarHBondContact O-N 3.44Å; H518-S536 PolarHBondContact NE2-OG 2.99Å
519	L	96.8	Very high	96.4	Very high	5 Å²	5	58.9 Å²	58.9	3%	0.026	29%	0.293	C	S	.	.			trans	-83.7	132.2	179	-64.9	163.6	0	0	0	110	K157 Y516 A517 Y521 E532	K157-L519 WeakPolarHBondContact CE-O 3.28Å; K157-L519 PolarHBondContact NZ-O 2.86Å; Y516-L519 HydrophobicContact CD1-CD1 3.75Å; Y516-L519 HydrophobicContact CG-CD1 4.44Å; Y516-L519 PolarHBondContact O-N 3.19Å; A517-L519 VanDerWaalsContact C-N 3.3Å; A517-L519 PolarHBondContact O-N 2.7Å; L519-Y521 HydrophobicContact CB-CE1 4.36Å; L519-Y521 HydrophobicContact CB-CE2 4.4Å; L519-Y521 WeakPolarHBondContact CD1-OH 3.37Å; L519-Y521 HydrophobicContact CD2-CE1 4.38Å; L519-E532 HydrophobicContact CD2-CG 3.99Å
520	N	95.7	Very high	96.6	Very high	135 Å²	135	56.8 Å²	56.8	72%	0.722	28%	0.282	S	S	*	.			trans	-129.1	97.8	176.4	-172.9	18.7	0	0	0	109.9
521	Y	98.1	Very high	96.8	Very high	15 Å²	15	52.1 Å²	52.1	6%	0.059	26%	0.262	C	S	.	.			trans	-89.2	150.6	-178.7	-57.8	-48.5	0	0	0	112.4	K157 L161 M437 L519 N529 N533	K157-Y521 HydrophobicContact CB-CD2 3.94Å; K157-Y521 HydrophobicContact CB-CE2 4.07Å; K157-Y521 HydrophobicContact CG-CD2 4.39Å; K157-Y521 WeakPolarHBondContact O-CD2 3.29Å; L161-Y521 HydrophobicContact CB-CD2 4.02Å; L161-Y521 HydrophobicContact CB-CE2 4.08Å; L161-Y521 HydrophobicContact CB-CG 4.46Å; L161-Y521 HydrophobicContact CD1-CD1 4.13Å; L161-Y521 HydrophobicContact CD1-CE1 4.1Å; L161-Y521 HydrophobicContact CD1-CG 4.35Å; L161-Y521 HydrophobicContact CD2-CE2 4.18Å; M437-Y521 HydrophobicContact CE-CE2 4.41Å; M437-Y521 HydrophobicContact SD-CE2 3.65Å; L519-Y521 HydrophobicContact CB-CE1 4.36Å; L519-Y521 HydrophobicContact CB-CE2 4.4Å; L519-Y521 WeakPolarHBondContact CD1-OH 3.37Å; L519-Y521 HydrophobicContact CD2-CE1 4.38Å; Y521-N529 WeakPolarHBondContact CA-OD1 3.43Å; Y521-N529 HydrophobicContact CD1-CB 3.81Å; Y521-N529 HydrophobicContact CE1-CB 4.35Å; Y521-N533 VanDerWaalsContact CE1-OD1 3.27Å; Y521-N533 WeakPolarHBondContact CE1-OD1 3.48Å; Y521-N533 VanDerWaalsContact CZ-OD1 3.3Å; Y521-N533 PolarHBondContact OH-ND2 2.72Å; Y521-N533 PolarHBondContact OH-OD1 3.2Å
522	S	97.6	Very high	96.9	Very high	39 Å²	39	50.4 Å²	50.4	27%	0.273	26%	0.255	S	S	.	.			trans	-114.3	136	170.4	169.4	0	0	0	0	110.3	S164 E524 H525 N529	S164-S522 VanDerWaalsContact CB-O 3.3Å; S164-S522 WeakPolarHBondContact CB-O 3.39Å; S522-E524 PolarHBondContact O-N 3.05Å; S522-E524 PolarHBondContact OG-N 2.72Å; S522-E524 VanDerWaalsContact OG-N 3.07Å; S522-H525 PolarHBondContact O-N 3.05Å; S522-N529 PolarHBondContact N-OD1 3.08Å; S522-N529 PolarHBondContact O-ND2 3.43Å
523	E	96.6	Very high	97	Very high	118 Å²	118	51 Å²	51	55%	0.551	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-20.8	171.4	-66.5	-176.6	-173.7	0	0	112.5	I160 S164	I160-E523 HydrophobicContact CB-CG 4.47Å; I160-E523 HydrophobicContact CG1-CG 4.38Å; I160-E523 HydrophobicContact CG2-CG 3.85Å; S164-E523 WeakPolarHBondContact CA-O 3.31Å; S164-E523 WeakPolarHBondContact CB-O 3.43Å
524	E	97.3	Very high	97	Very high	119 Å²	119	51 Å²	51	56%	0.556	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	-10.6	-174.2	-65.8	-174.6	-172.8	0	0	114.3	L170 S522	L170-E524 VanDerWaalsContact CD2-CA 3.42Å; L170-E524 HydrophobicContact CD2-CB 3.71Å; L170-E524 HydrophobicContact CD2-CG 4.07Å; L170-E524 WeakPolarHBondContact CD2-O 3.36Å; S522-E524 PolarHBondContact O-N 3.05Å; S522-E524 PolarHBondContact OG-N 2.72Å; S522-E524 VanDerWaalsContact OG-N 3.07Å
525	H	97.6	Very high	97.1	Very high	65 Å²	65	49.3 Å²	49.3	30%	0.301	25%	0.249	S	C	.	.			trans	-128.8	60	-167.3	-60	-22.6	0	0	0	112	R174 S522 F527 E528 N529	R174-H525 PolarHBondContact NH1-CE1 3.22Å; R174-H525 VanDerWaalsContact NH1-CE1 3.31Å; R174-H525 PolarHBondContact NH1-ND1 2.9Å; R174-H525 VanDerWaalsContact NH1-ND1 3.12Å; S522-H525 PolarHBondContact O-N 3.05Å; H525-F527 VanDerWaalsContact C-N 3.34Å; H525-F527 PolarHBondContact O-N 3.06Å; H525-E528 HydrophobicContact CB-CB 4.05Å; H525-E528 HydrophobicContact CB-CG 4.42Å; H525-E528 WeakPolarHBondContact CB-OE2 3.3Å; H525-E528 PolarHBondContact O-N 2.72Å; H525-N529 PolarHBondContact O-N 2.69Å; H525-N529 PolarHBondContact O-ND2 2.85Å; H525-N529 PolarHBondContact O-OD1 3.39Å
526	Y	98.3	Very high	97.2	Very high	24 Å²	24	48 Å²	48	9%	0.094	24%	0.244	C	C	.	.	H	α-helix	trans	-55	-45.7	-178.9	176.6	-125.5	0	0	0	113.2	S164 C165 I171 Y432 E528 N529 I530	S164-Y526 WeakPolarHBondContact O-CB 3.4Å; C165-Y526 HydrophobicContact CB-CD2 3.66Å; C165-Y526 HydrophobicContact CB-CE1 4.39Å; C165-Y526 HydrophobicContact CB-CE2 3.42Å; C165-Y526 VanDerWaalsContact CB-CE2 3.42Å; C165-Y526 HydrophobicContact CB-CG 4.28Å; I171-Y526 HydrophobicContact CD1-CD1 3.77Å; I171-Y526 HydrophobicContact CD1-CE1 4.48Å; I171-Y526 HydrophobicContact CD1-CG 4.43Å; I171-Y526 HydrophobicContact CG1-CD1 4.45Å; Y432-Y526 AromaticContact CD1-CE2 3.82Å; Y432-Y526 HydrophobicContact CD1-CE2 3.82Å; Y432-Y526 AromaticContact CE1-CE2 3.86Å; Y432-Y526 HydrophobicContact CE1-CE2 3.86Å; Y526-E528 VanDerWaalsContact C-N 3.32Å; Y526-E528 PolarHBondContact O-N 3.46Å; Y526-N529 WeakPolarHBondContact O-CB 3.48Å; Y526-N529 PolarHBondContact O-N 2.87Å; Y526-I530 HydrophobicContact CD1-CD1 4.24Å; Y526-I530 HydrophobicContact CD2-CD1 4.47Å; Y526-I530 HydrophobicContact CD2-CG1 4.4Å; Y526-I530 HydrophobicContact CE1-CD1 3.76Å; Y526-I530 HydrophobicContact CE2-CD1 3.98Å; Y526-I530 HydrophobicContact CE2-CG1 3.98Å; Y526-I530 WeakPolarHBondContact O-CG1 3.44Å; Y526-I530 PolarHBondContact O-N 3.19Å; Y526-I530 VanDerWaalsContact O-N 3.09Å
527	F	98.4	Very high	97.1	Very high	6 Å²	6	52.5 Å²	52.5	3%	0.026	27%	0.266	C	S	.	.	H	α-helix	trans	-60.8	-43.4	-180	-167.6	-84.7	0	0	0	111.6	P178 L182 R397 L401 H525 I530 L531	P178-F527 HydrophobicContact CB-CB 3.83Å; P178-F527 HydrophobicContact CB-CD1 3.59Å; P178-F527 HydrophobicContact CB-CD2 4.23Å; P178-F527 HydrophobicContact CB-CE1 4.12Å; P178-F527 HydrophobicContact CB-CG 3.63Å; P178-F527 HydrophobicContact CG-CB 4.12Å; P178-F527 HydrophobicContact CG-CD1 4.46Å; P178-F527 HydrophobicContact CG-CD2 4.26Å; P178-F527 HydrophobicContact CG-CG 4.05Å; L182-F527 HydrophobicContact CB-CE1 4.27Å; L182-F527 HydrophobicContact CD2-CE1 4.05Å; L182-F527 HydrophobicContact CD2-CZ 3.84Å; R397-F527 HydrophobicContact CB-CE2 3.89Å; R397-F527 HydrophobicContact CB-CZ 4.03Å; R397-F527 HydrophobicContact CG-CE2 4.42Å; R397-F527 HydrophobicContact CG-CZ 4.19Å; L401-F527 HydrophobicContact CD2-CD2 3.67Å; L401-F527 HydrophobicContact CD2-CE2 3.57Å; L401-F527 HydrophobicContact CG-CD2 4.35Å; L401-F527 HydrophobicContact CG-CE2 4.04Å; H525-F527 VanDerWaalsContact C-N 3.34Å; H525-F527 PolarHBondContact O-N 3.06Å; F527-I530 WeakPolarHBondContact O-CB 3.31Å; F527-I530 PolarHBondContact O-N 3.47Å; F527-L531 HydrophobicContact CD1-CD1 4.05Å; F527-L531 HydrophobicContact CD1-CG 4.2Å; F527-L531 HydrophobicContact CE1-CD1 3.91Å; F527-L531 HydrophobicContact CE1-CD2 4.24Å; F527-L531 HydrophobicContact CE1-CG 4.17Å; F527-L531 PolarHBondContact O-N 2.91Å
528	E	98.3	Very high	97	Very high	55 Å²	55	49.6 Å²	49.6	26%	0.257	24%	0.242	S	C	.	.	H	α-helix	trans	-68.6	-35.9	176.7	-66.3	80	175.5	0	0	112.5	R174 H525 Y526 I530 L531 E532	R174-E528 IonicContact CZ-OE1 3.11Å; R174-E528 IonicContact CZ-OE2 2.79Å; R174-E528 VanDerWaalsContact NH2-CD 3.27Å; R174-E528 IonicContact NH2-OE1 2.69Å; R174-E528 PolarHBondContact NH2-OE1 3.02Å; R174-E528 IonicContact NH2-OE2 3.48Å; R174-E528 PolarHBondContact NH2-OE2 3.37Å; H525-E528 HydrophobicContact CB-CB 4.05Å; H525-E528 HydrophobicContact CB-CG 4.42Å; H525-E528 WeakPolarHBondContact CB-OE2 3.3Å; H525-E528 PolarHBondContact O-N 2.72Å; Y526-E528 VanDerWaalsContact C-N 3.32Å; Y526-E528 PolarHBondContact O-N 3.46Å; E528-I530 PolarHBondContact O-N 2.99Å; E528-L531 PolarHBondContact O-N 3.32Å; E528-L531 VanDerWaalsContact O-N 3.11Å; E528-E532 PolarHBondContact O-N 2.89Å
529	N	98.5	Very high	97.1	Very high	5 Å²	5	47 Å²	47	3%	0.027	23%	0.23	C	C	.	.	H	α-helix	trans	-58.3	-36.5	172	-64.7	-22.1	0	0	0	111.3	L161 S164 Y521 S522 H525 Y526 E532 N533	L161-N529 HydrophobicContact CD1-CB 3.58Å; S164-N529 WeakPolarHBondContact CB-ND2 3.46Å; S164-N529 PolarHBondContact OG-ND2 3.12Å; Y521-N529 WeakPolarHBondContact CA-OD1 3.43Å; Y521-N529 HydrophobicContact CD1-CB 3.81Å; Y521-N529 HydrophobicContact CE1-CB 4.35Å; S522-N529 PolarHBondContact N-OD1 3.08Å; S522-N529 PolarHBondContact O-ND2 3.43Å; H525-N529 PolarHBondContact O-N 2.69Å; H525-N529 PolarHBondContact O-ND2 2.85Å; H525-N529 PolarHBondContact O-OD1 3.39Å; Y526-N529 WeakPolarHBondContact O-CB 3.48Å; Y526-N529 PolarHBondContact O-N 2.87Å; N529-E532 PolarHBondContact O-N 2.97Å; N529-N533 PolarHBondContact O-N 2.95Å
530	I	97.9	Very high	97	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.01	25%	0.25	C	C	.	.	H	α-helix	trans	-65.2	-45.5	174.6	-60.5	167.1	0	0	0	111.4	S400 Y432 Y526 F527 E528 E532 N533 L534	S400-I530 WeakPolarHBondContact OG-CD1 3.48Å; Y432-I530 HydrophobicContact CE1-CG1 3.93Å; Y432-I530 HydrophobicContact CE2-CG1 4.31Å; Y432-I530 VanDerWaalsContact OH-CA 3.28Å; Y432-I530 WeakPolarHBondContact OH-CA 2.99Å; Y432-I530 WeakPolarHBondContact OH-CG1 3.36Å; Y526-I530 HydrophobicContact CD1-CD1 4.24Å; Y526-I530 HydrophobicContact CD2-CD1 4.47Å; Y526-I530 HydrophobicContact CD2-CG1 4.4Å; Y526-I530 HydrophobicContact CE1-CD1 3.76Å; Y526-I530 HydrophobicContact CE2-CD1 3.98Å; Y526-I530 HydrophobicContact CE2-CG1 3.98Å; Y526-I530 WeakPolarHBondContact O-CG1 3.44Å; Y526-I530 PolarHBondContact O-N 3.19Å; Y526-I530 VanDerWaalsContact O-N 3.09Å; F527-I530 WeakPolarHBondContact O-CB 3.31Å; F527-I530 PolarHBondContact O-N 3.47Å; E528-I530 PolarHBondContact O-N 2.99Å; I530-E532 VanDerWaalsContact C-N 3.28Å; I530-E532 PolarHBondContact O-N 3.47Å; I530-N533 WeakPolarHBondContact O-CB 3.39Å; I530-N533 PolarHBondContact O-N 3.45Å; I530-L534 HydrophobicContact CG2-CD1 4.12Å; I530-L534 HydrophobicContact CG2-CG 4.4Å; I530-L534 WeakPolarHBondContact O-CG 2.93Å; I530-L534 PolarHBondContact O-N 3.31Å
531	L	97.5	Very high	97	Very high	36 Å²	36	46.5 Å²	46.5	19%	0.188	22%	0.224	C	C	.	.	H	α-helix	trans	-63.5	-37.1	178.1	-59.4	-176.4	0	0	0	111.6	L182 F217 F527 E528 L534 K535	L182-L531 HydrophobicContact CD1-CD1 4.21Å; L182-L531 HydrophobicContact CD1-CD2 4.25Å; L182-L531 HydrophobicContact CD2-CD2 4.48Å; F217-L531 HydrophobicContact CD1-CD2 4.08Å; F217-L531 HydrophobicContact CE1-CD2 4.2Å; F527-L531 HydrophobicContact CD1-CD1 4.05Å; F527-L531 HydrophobicContact CD1-CG 4.2Å; F527-L531 HydrophobicContact CE1-CD1 3.91Å; F527-L531 HydrophobicContact CE1-CD2 4.24Å; F527-L531 HydrophobicContact CE1-CG 4.17Å; F527-L531 PolarHBondContact O-N 2.91Å; E528-L531 PolarHBondContact O-N 3.32Å; E528-L531 VanDerWaalsContact O-N 3.11Å; L531-L534 HydrophobicContact CD2-CD1 4.39Å; L531-L534 PolarHBondContact O-N 2.88Å; L531-K535 WeakPolarHBondContact O-CB 3.22Å; L531-K535 PolarHBondContact O-N 3.11Å
532	E	97.4	Very high	96.9	Very high	61 Å²	61	46 Å²	46	29%	0.285	22%	0.223	S	C	.	.	H	α-helix	trans	-61.9	-43.7	174.3	-170.5	68.8	-172.3	0	0	111.1	L519 E528 N529 I530 K535 S536	L519-E532 HydrophobicContact CD2-CG 3.99Å; E528-E532 PolarHBondContact O-N 2.89Å; N529-E532 PolarHBondContact O-N 2.97Å; I530-E532 VanDerWaalsContact C-N 3.28Å; I530-E532 PolarHBondContact O-N 3.47Å; E532-K535 PolarHBondContact O-N 3.21Å; E532-S536 VanDerWaalsContact O-CB 3.22Å; E532-S536 WeakPolarHBondContact O-CB 3.43Å; E532-S536 PolarHBondContact O-N 3Å
533	N	97.8	Very high	96.9	Very high	12 Å²	12	49 Å²	49	6%	0.064	23%	0.231	C	C	.	.	H	α-helix	trans	-61.2	-48.8	175	-76.8	-19.2	0	0	0	112.4	Y432 S436 Y521 N529 I530 K535 S536 E537	Y432-N533 PolarHBondContact OH-ND2 2.81Å; S436-N533 PolarHBondContact OG-ND2 3.01Å; Y521-N533 VanDerWaalsContact CE1-OD1 3.27Å; Y521-N533 WeakPolarHBondContact CE1-OD1 3.48Å; Y521-N533 VanDerWaalsContact CZ-OD1 3.3Å; Y521-N533 PolarHBondContact OH-ND2 2.72Å; Y521-N533 PolarHBondContact OH-OD1 3.2Å; N529-N533 PolarHBondContact O-N 2.95Å; I530-N533 WeakPolarHBondContact O-CB 3.39Å; I530-N533 PolarHBondContact O-N 3.45Å; N533-K535 VanDerWaalsContact C-N 3.34Å; N533-K535 PolarHBondContact O-N 3.27Å; N533-S536 PolarHBondContact O-N 3.21Å; N533-E537 WeakPolarHBondContact O-CB 3.48Å; N533-E537 PolarHBondContact O-N 3.37Å
534	L	96.5	Very high	96.9	Very high	33 Å²	33	45.7 Å²	45.7	17%	0.173	22%	0.215	C	C	.	.	H	α-helix	trans	-60.2	-44.3	179.2	-68.7	171.9	0	0	0	111.8	H218 I530 L531 E537 A538	H218-L534 HydrophobicContact CB-CB 4.46Å; H218-L534 HydrophobicContact CB-CD2 4.31Å; I530-L534 HydrophobicContact CG2-CD1 4.12Å; I530-L534 HydrophobicContact CG2-CG 4.4Å; I530-L534 WeakPolarHBondContact O-CG 2.93Å; I530-L534 PolarHBondContact O-N 3.31Å; L531-L534 HydrophobicContact CD2-CD1 4.39Å; L531-L534 PolarHBondContact O-N 2.88Å; L534-E537 PolarHBondContact O-N 3.29Å; L534-A538 WeakPolarHBondContact O-CB 3.49Å; L534-A538 PolarHBondContact O-N 3.09Å
535	K	96.9	Very high	96.9	Very high	86 Å²	86	40.4 Å²	40.4	37%	0.374	19%	0.19	S	C	.	.	H	α-helix	trans	-63.3	-45.9	176.6	-179.3	-174.3	169.7	-162.8	0	111.5	R216 L531 E532 N533 A538 Q539	R216-K535 WeakPolarHBondContact O-CA 3.42Å; R216-K535 WeakPolarHBondContact O-CB 3.38Å; R216-K535 PolarHBondContact O-N 2.89Å; L531-K535 WeakPolarHBondContact O-CB 3.22Å; L531-K535 PolarHBondContact O-N 3.11Å; E532-K535 PolarHBondContact O-N 3.21Å; N533-K535 VanDerWaalsContact C-N 3.34Å; N533-K535 PolarHBondContact O-N 3.27Å; K535-A538 PolarHBondContact O-N 3.26Å; K535-Q539 WeakPolarHBondContact O-CB 3.45Å; K535-Q539 VanDerWaalsContact O-CG 3.3Å; K535-Q539 WeakPolarHBondContact O-CG 3.4Å; K535-Q539 PolarHBondContact O-N 3.36Å
536	S	96.3	Very high	96.9	Very high	16 Å²	16	43.2 Å²	43.2	11%	0.112	20%	0.198	C	C	.	.	H	α-helix	trans	-59.8	-46.2	177.7	161.7	0	0	0	0	111.6	H518 E532 N533 Q539 K540	H518-S536 PolarHBondContact NE2-OG 2.99Å; E532-S536 VanDerWaalsContact O-CB 3.22Å; E532-S536 WeakPolarHBondContact O-CB 3.43Å; E532-S536 PolarHBondContact O-N 3Å; N533-S536 PolarHBondContact O-N 3.21Å; S536-Q539 PolarHBondContact O-N 3.47Å; S536-K540 VanDerWaalsContact O-CB 3.31Å; S536-K540 WeakPolarHBondContact O-CB 3.35Å; S536-K540 PolarHBondContact O-N 3.29Å
537	E	94.9	Very high	96.7	Very high	105 Å²	105	46.9 Å²	46.9	49%	0.491	22%	0.216	S	C	.	.	H	α-helix	trans	-63.1	-46.5	178.9	-175.8	174.3	-163.9	0	0	111.8	N533 L534 Q539 K540 S541	N533-E537 WeakPolarHBondContact O-CB 3.48Å; N533-E537 PolarHBondContact O-N 3.37Å; L534-E537 PolarHBondContact O-N 3.29Å; E537-Q539 PolarHBondContact O-N 3.38Å; E537-K540 PolarHBondContact O-N 3.02Å; E537-S541 WeakPolarHBondContact O-CB 3.35Å; E537-S541 PolarHBondContact O-N 3.42Å
538	A	95.8	Very high	96.6	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.008	25%	0.248	C	C	.	.	H	α-helix	trans	-57.1	-49.2	174	0	0	0	0	0	111.3	H218 L534 K535 K540 S541 L542	H218-A538 HydrophobicContact CB-CB 4.1Å; H218-A538 WeakPolarHBondContact ND1-CA 3.49Å; L534-A538 WeakPolarHBondContact O-CB 3.49Å; L534-A538 PolarHBondContact O-N 3.09Å; K535-A538 PolarHBondContact O-N 3.26Å; A538-K540 PolarHBondContact O-N 2.71Å; A538-S541 PolarHBondContact O-N 3.33Å; A538-L542 WeakPolarHBondContact O-CB 3.28Å; A538-L542 WeakPolarHBondContact O-CG 3.47Å; A538-L542 PolarHBondContact O-N 3.06Å
539	Q	95.7	Very high	96.4	Very high	48 Å²	48	50 Å²	50	22%	0.224	24%	0.241	C	C	.	.	H	α-helix	trans	-64.9	-40.2	179.3	-71.5	-177.3	-27.3	0	0	112.8	V352 K535 S536 E537 S541 L542 K543	V352-Q539 HydrophobicContact CG1-CB 3.96Å; V352-Q539 HydrophobicContact CG1-CG 3.97Å; K535-Q539 WeakPolarHBondContact O-CB 3.45Å; K535-Q539 VanDerWaalsContact O-CG 3.3Å; K535-Q539 WeakPolarHBondContact O-CG 3.4Å; K535-Q539 PolarHBondContact O-N 3.36Å; S536-Q539 PolarHBondContact O-N 3.47Å; E537-Q539 PolarHBondContact O-N 3.38Å; Q539-S541 VanDerWaalsContact C-N 3.35Å; Q539-L542 PolarHBondContact O-N 3.02Å; Q539-K543 WeakPolarHBondContact O-CB 3.36Å; Q539-K543 VanDerWaalsContact O-CG 3.23Å; Q539-K543 WeakPolarHBondContact O-CG 3.46Å; Q539-K543 PolarHBondContact O-N 3Å
540	K	93.9	Very high	96	Very high	104 Å²	104	53 Å²	53	45%	0.452	26%	0.257	S	S	.	.	H	α-helix	trans	-61.9	-42.9	176	-173.9	178.8	-177.6	179	0	110.6	E515 S536 E537 A538	E515-K540 IonicContact OE1-NZ 3.66Å; E515-K540 PolarHBondContact OE1-NZ 3.08Å; S536-K540 VanDerWaalsContact O-CB 3.31Å; S536-K540 WeakPolarHBondContact O-CB 3.35Å; S536-K540 PolarHBondContact O-N 3.29Å; E537-K540 PolarHBondContact O-N 3.02Å; A538-K540 PolarHBondContact O-N 2.71Å
541	S	94.8	Very high	95.2	Very high	26 Å²	26	56 Å²	56	18%	0.182	28%	0.277	C	S	.	.	H	α-helix	trans	-65.6	-47.8	175.9	174.6	0	0	0	0	112	E537 A538 Q539 K543 K544	E537-S541 WeakPolarHBondContact O-CB 3.35Å; E537-S541 PolarHBondContact O-N 3.42Å; A538-S541 PolarHBondContact O-N 3.33Å; Q539-S541 VanDerWaalsContact C-N 3.35Å; S541-K543 PolarHBondContact O-N 3.42Å; S541-K544 WeakPolarHBondContact O-CB 3.38Å; S541-K544 PolarHBondContact O-N 2.94Å
542	L	97.4	Very high	94.4	Very high	5 Å²	5	59.1 Å²	59.1	3%	0.026	29%	0.294	C	S	.	.	H	α-helix	trans	-67.8	-36.2	-175.9	-66.4	170.9	0	0	0	113.3	A215 L225 V227 V348 L349 V352 A538 Q539 K544 L545	A215-L542 HydrophobicContact CB-CD1 4.38Å; L225-L542 HydrophobicContact CD2-CD2 4.27Å; V227-L542 HydrophobicContact CG2-CD2 4.11Å; V348-L542 HydrophobicContact CG1-CD1 3.57Å; V348-L542 HydrophobicContact CG1-CD2 3.62Å; V348-L542 HydrophobicContact CG1-CG 4.25Å; L349-L542 HydrophobicContact CD2-CB 4.34Å; L349-L542 HydrophobicContact CD2-CD2 4.04Å; V352-L542 HydrophobicContact CG1-CB 4.09Å; V352-L542 HydrophobicContact CG2-CB 3.9Å; A538-L542 WeakPolarHBondContact O-CB 3.28Å; A538-L542 WeakPolarHBondContact O-CG 3.47Å; A538-L542 PolarHBondContact O-N 3.06Å; Q539-L542 PolarHBondContact O-N 3.02Å; L542-K544 PolarHBondContact O-N 3.18Å; L542-L545 WeakPolarHBondContact O-CB 3.38Å; L542-L545 PolarHBondContact O-N 2.97Å
543	K	96.7	Very high	94	Very high	101 Å²	101	59.5 Å²	59.5	44%	0.439	30%	0.297	S	S	.	.	H	α-helix	trans	-59.5	-30	177.6	-79.1	172.7	-176.5	177.6	0	113	V352 Q539 S541 L545 R546	V352-K543 HydrophobicContact CB-CG 3.79Å; V352-K543 HydrophobicContact CG1-CG 3.81Å; Q539-K543 WeakPolarHBondContact O-CB 3.36Å; Q539-K543 VanDerWaalsContact O-CG 3.23Å; Q539-K543 WeakPolarHBondContact O-CG 3.46Å; Q539-K543 PolarHBondContact O-N 3Å; S541-K543 PolarHBondContact O-N 3.42Å; K543-L545 PolarHBondContact O-N 3.18Å; K543-R546 PolarHBondContact O-N 3.03Å
544	K	96.5	Very high	93.6	Very high	50 Å²	50	60.3 Å²	60.3	22%	0.217	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-57	-22.7	179.8	-69	-179.9	178.4	-176.3	0	113.4	V227 H237 S541 L542 R546 E547	V227-K544 HydrophobicContact CG1-CB 4.1Å; H237-K544 WeakPolarHBondContact CB-O 3.41Å; H237-K544 VanDerWaalsContact CG-O 3.32Å; H237-K544 PolarHBondContact ND1-O 3.02Å; S541-K544 WeakPolarHBondContact O-CB 3.38Å; S541-K544 PolarHBondContact O-N 2.94Å; L542-K544 PolarHBondContact O-N 3.18Å; K544-R546 PolarHBondContact O-N 3.17Å; K544-E547 PolarHBondContact O-N 3.25Å; K544-E547 VanDerWaalsContact O-O 3.1Å
545	L	98.1	Very high	93.3	Very high	7 Å²	7	61.5 Å²	61.5	4%	0.037	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-54.9	-29.7	-174.8	179.4	59.6	0	0	0	113.4	V227 I239 L349 I354 L542 K543	V227-L545 HydrophobicContact CG1-CB 3.83Å; V227-L545 HydrophobicContact CG1-CD1 4.36Å; V227-L545 HydrophobicContact CG2-CB 4.02Å; V227-L545 HydrophobicContact CG2-CD1 4.48Å; I239-L545 HydrophobicContact CD1-CD2 3.91Å; I239-L545 HydrophobicContact CG1-CD1 3.78Å; I239-L545 HydrophobicContact CG1-CD2 3.85Å; I239-L545 HydrophobicContact CG1-CG 4.47Å; L349-L545 HydrophobicContact CD1-CD2 3.62Å; L349-L545 HydrophobicContact CD2-CD2 3.89Å; L349-L545 HydrophobicContact CG-CD2 4.44Å; I354-L545 HydrophobicContact CD1-CB 4.13Å; I354-L545 HydrophobicContact CG2-CD2 4.25Å; L542-L545 WeakPolarHBondContact O-CB 3.38Å; L542-L545 PolarHBondContact O-N 2.97Å; K543-L545 PolarHBondContact O-N 3.18Å
546	R	96.6	Very high	93.1	Very high	125 Å²	125	59.2 Å²	59.2	47%	0.472	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-113.5	7.7	177.2	-56.2	-57.8	-177	-127.3	-0.5	113.4	I354 E360 K543 K544	I354-R546 HydrophobicContact CD1-CG 4.04Å; I354-R546 HydrophobicContact CG1-CG 4.31Å; I354-R546 HydrophobicContact CG2-CG 4.37Å; E360-R546 IonicContact OE1-CZ 3.18Å; E360-R546 VanDerWaalsContact OE1-CZ 3.31Å; E360-R546 IonicContact OE1-NH1 3.71Å; E360-R546 PolarHBondContact OE1-NH1 2.95Å; E360-R546 IonicContact OE1-NH2 3.29Å; E360-R546 PolarHBondContact OE1-NH2 3.42Å; E360-R546 IonicContact OE2-CZ 3.56Å; E360-R546 IonicContact OE2-NH1 3.45Å; E360-R546 IonicContact OE2-NH2 2.71Å; E360-R546 PolarHBondContact OE2-NH2 2.71Å; K543-R546 PolarHBondContact O-N 3.03Å; K544-R546 PolarHBondContact O-N 3.17Å
547	E	95.6	Very high	93	Very high	100 Å²	100	58.5 Å²	58.5	47%	0.467	29%	0.292	S	S	.	.	S	Bend	trans	-98.6	145	175.5	-63.4	176.2	172.8	0	0	109.8	H237 K544	H237-E547 PolarHBondContact ND1-O 2.85Å; K544-E547 PolarHBondContact O-N 3.25Å; K544-E547 VanDerWaalsContact O-O 3.1Å
548	P	94.9	Very high	93.1	Very high	108 Å²	108	53.5 Å²	53.5	70%	0.701	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-65.4	153.4	170.6	29.8	-34.6	0	0	0	110.5	D550	P548-D550 PolarHBondContact O-N 3.47Å
549	V	94.6	Very high	93.2	Very high	19 Å²	19	53.6 Å²	53.6	12%	0.115	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-69.7	119.2	171.4	178	0	0	0	0	108.6	T229 S234 Q235 P551	T229-V549 HydrophobicContact CG2-CG2 4.06Å; S234-V549 WeakPolarHBondContact O-CB 3.47Å; S234-V549 WeakPolarHBondContact O-CG2 3.42Å; Q235-V549 PolarHBondContact O-N 3.39Å; Q235-V549 VanDerWaalsContact O-N 3.09Å; V549-P551 VanDerWaalsContact O-CD 3.28Å; V549-P551 WeakPolarHBondContact O-CD 3.38Å
550	D	90.3	Very high	93.2	Very high	68 Å²	68	52.6 Å²	52.6	36%	0.364	27%	0.266	S	S	.	.			trans	-74	112.6	169.6	176.4	-4.3	0	0	0	108.4	P548 D552 L553 R569	P548-D550 PolarHBondContact O-N 3.47Å; D550-D552 VanDerWaalsContact C-N 3.27Å; D550-D552 PolarHBondContact O-N 3.25Å; D550-D552 PolarHBondContact OD1-N 2.94Å; D550-L553 HydrophobicContact CB-CB 4.24Å; D550-L553 PolarHBondContact O-N 3.42Å; D550-R569 VanDerWaalsContact O-CZ 3.28Å; D550-R569 PolarHBondContact O-NH1 3Å; D550-R569 PolarHBondContact O-NH2 3.45Å
551	P	81.8	Confident	93.4	Very high	64 Å²	64	47.9 Å²	47.9	42%	0.416	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-10.9	-175.4	34.2	-38.2	0	0	0	114.2	V549	V549-P551 VanDerWaalsContact O-CD 3.28Å; V549-P551 WeakPolarHBondContact O-CD 3.38Å
552	D	81	Confident	93.5	Very high	102 Å²	102	49.1 Å²	49.1	55%	0.545	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	5.1	-179.3	-60.3	-32.2	0	0	0	112.2	K495 D550 W554	K495-D552 IonicContact NZ-OD1 3.41Å; D550-D552 VanDerWaalsContact C-N 3.27Å; D550-D552 PolarHBondContact O-N 3.25Å; D550-D552 PolarHBondContact OD1-N 2.94Å; D552-W554 PolarHBondContact O-N 2.97Å
553	L	87.6	Confident	93.5	Very high	69 Å²	69	49.1 Å²	49.1	36%	0.361	25%	0.252	S	S	.	.			trans	-63.9	131.8	174.2	-173.8	68.2	0	0	0	110.5	D550 Q571	D550-L553 HydrophobicContact CB-CB 4.24Å; D550-L553 PolarHBondContact O-N 3.42Å; L553-Q571 PolarHBondContact O-NE2 3.41Å
554	W	90.8	Very high	93.6	Very high	30 Å²	30	47.1 Å²	47.1	11%	0.114	24%	0.243	C	C	.	.			trans	-76.1	131.2	169.7	-76.6	50.1	0	0	0	109.5	H497 Y500 P501 D552 I556 V573	H497-W554 HydrophobicContact CB-CD2 4.12Å; H497-W554 HydrophobicContact CB-CE3 4.41Å; H497-W554 HydrophobicContact CB-CH2 3.83Å; H497-W554 HydrophobicContact CB-CZ2 3.52Å; H497-W554 HydrophobicContact CB-CZ3 4.28Å; H497-W554 AromaticContact CD2-CD1 3.51Å; H497-W554 AromaticContact CD2-CE2 3.85Å; H497-W554 AromaticContact CD2-CG 3.98Å; H497-W554 AromaticContact CD2-NE1 3.42Å; H497-W554 PolarHBondContact CD2-NE1 3.41Å; H497-W554 AromaticContact CE1-NE1 3.86Å; H497-W554 AromaticContact CG-CE2 3.61Å; H497-W554 AromaticContact CG-CZ2 3.87Å; H497-W554 AromaticContact CG-NE1 3.49Å; H497-W554 AromaticContact ND1-NE1 3.77Å; H497-W554 AromaticContact NE2-CD1 3.74Å; H497-W554 AromaticContact NE2-NE1 3.68Å; Y500-W554 VanDerWaalsContact O-CZ2 3.27Å; Y500-W554 WeakPolarHBondContact O-CZ2 3.25Å; P501-W554 HydrophobicContact CB-CD2 4.08Å; P501-W554 HydrophobicContact CB-CG 4.04Å; P501-W554 HydrophobicContact CG-CD2 4.11Å; P501-W554 HydrophobicContact CG-CG 4.19Å; D552-W554 PolarHBondContact O-N 2.97Å; W554-I556 VanDerWaalsContact C-N 3.26Å; W554-I556 PolarHBondContact O-N 2.99Å; W554-V573 HydrophobicContact CD2-CG1 4.49Å; W554-V573 HydrophobicContact CE3-CG1 3.69Å; W554-V573 HydrophobicContact CZ3-CG1 3.72Å
555	I	89.2	Confident	93.6	Very high	58 Å²	58	46 Å²	46	30%	0.297	24%	0.238	S	C	.	.	S	Bend	trans	-79.5	-10.1	178.5	65.1	-174.6	0	0	0	113.2	F564 V573	I555-F564 HydrophobicContact CD1-CB 3.78Å; I555-V573 HydrophobicContact CD1-CG2 3.96Å; I555-V573 HydrophobicContact CG1-CG2 3.85Å
556	I	93.5	Very high	93.6	Very high	37 Å²	37	46.2 Å²	46.2	19%	0.19	24%	0.24	C	C	.	.	S	Bend	trans	-154.9	148.6	-177.5	-165.7	64.6	0	0	0	111.1	W554 V560 F564 V573 P575	W554-I556 VanDerWaalsContact C-N 3.26Å; W554-I556 PolarHBondContact O-N 2.99Å; I556-V560 HydrophobicContact CD1-CG2 4.23Å; I556-V560 HydrophobicContact CG1-CB 4.3Å; I556-V560 HydrophobicContact CG1-CG1 4.28Å; I556-V560 HydrophobicContact CG1-CG2 3.86Å; I556-F564 HydrophobicContact CB-CD2 4.25Å; I556-F564 HydrophobicContact CB-CE2 4.03Å; I556-F564 HydrophobicContact CD1-CZ 4.46Å; I556-F564 HydrophobicContact CG1-CD2 4.45Å; I556-F564 HydrophobicContact CG1-CE2 3.74Å; I556-F564 HydrophobicContact CG1-CZ 4.08Å; I556-F564 HydrophobicContact CG2-CD2 3.64Å; I556-F564 HydrophobicContact CG2-CE2 3.72Å; I556-V573 HydrophobicContact CG2-CB 4.42Å; I556-V573 HydrophobicContact CG2-CG1 3.87Å; I556-P575 HydrophobicContact CG2-CG 3.76Å
557	G	93.9	Very high	93.6	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.01	23%	0.226	C	C	.	.			trans	-69.3	167.4	173.8	0	0	0	0	0	115.9	E438	E438-G557 PolarHBondContact OE2-N 3.4Å
558	A	96.4	Very high	93.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.207	C	C	.	.	S	Bend	trans	-74	-31.6	-173.2	0	0	0	0	0	114.9	V446 G499 V560 P575 A576 G577	V446-A558 HydrophobicContact CG2-CB 3.74Å; G499-A558 VanDerWaalsContact O-CB 3.29Å; G499-A558 WeakPolarHBondContact O-CB 3.47Å; A558-V560 PolarHBondContact O-N 3.41Å; A558-P575 WeakPolarHBondContact O-CB 3.31Å; A558-A576 PolarHBondContact O-N 2.99Å; A558-A576 VanDerWaalsContact O-N 3.09Å; A558-G577 PolarHBondContact O-N 3.03Å; A558-G577 VanDerWaalsContact O-N 3.12Å
559	A	97.3	Very high	93.5	Very high	3 Å²	3	33.9 Å²	33.9	3%	0.025	18%	0.179	C	C	.	.	S	Bend	trans	-84.5	52.7	-176.3	0	0	0	0	0	111.5	L136 L140 Q434 Y445	L136-A559 HydrophobicContact CD1-CB 4.49Å; L136-A559 HydrophobicContact CD2-CB 4.46Å; L140-A559 HydrophobicContact CD1-CB 4.5Å; L140-A559 HydrophobicContact CD2-CB 4.39Å; Q434-A559 PolarHBondContact NE2-O 3.46Å; Y445-A559 HydrophobicContact CD1-CB 3.95Å; Y445-A559 HydrophobicContact CG-CB 3.83Å
560	V	97.5	Very high	93.6	Very high	27 Å²	27	33 Å²	33	16%	0.164	17%	0.174	C	C	.	.			trans	-129.9	133.3	-176.2	175.2	0	0	0	0	110.3	I556 A558 N562 F564 P575 G577 I578	I556-V560 HydrophobicContact CD1-CG2 4.23Å; I556-V560 HydrophobicContact CG1-CB 4.3Å; I556-V560 HydrophobicContact CG1-CG1 4.28Å; I556-V560 HydrophobicContact CG1-CG2 3.86Å; A558-V560 PolarHBondContact O-N 3.41Å; V560-N562 HydrophobicContact CG1-CB 3.88Å; V560-N562 PolarHBondContact O-N 2.7Å; V560-F564 HydrophobicContact CG1-CE2 4.14Å; V560-F564 HydrophobicContact CG1-CZ 4.3Å; V560-P575 HydrophobicContact CB-CB 4.08Å; V560-P575 HydrophobicContact CB-CG 4.1Å; V560-P575 WeakPolarHBondContact O-CB 3.33Å; V560-G577 CarbonylContact O-C 3.6Å; V560-G577 WeakPolarHBondContact O-CA 3.43Å; V560-I578 PolarHBondContact O-N 2.74Å
561	V	97.6	Very high	93.9	Very high	5 Å²	5	29.8 Å²	29.8	3%	0.03	16%	0.157	C	C	.	.	S	Bend	trans	-94.7	79	171.9	-169.5	0	0	0	0	108.5	F129 L132 R133 L136	F129-V561 HydrophobicContact CD1-CG1 4.28Å; L132-V561 HydrophobicContact CB-CG1 3.9Å; L132-V561 HydrophobicContact CB-CG2 4.15Å; L132-V561 HydrophobicContact CD1-CG1 4.13Å; R133-V561 HydrophobicContact CG-CB 3.87Å; R133-V561 HydrophobicContact CG-CG2 3.95Å; L136-V561 HydrophobicContact CB-CG2 4.46Å; L136-V561 HydrophobicContact CD1-CG2 3.89Å
562	N	96.8	Very high	94.7	Very high	52 Å²	52	26.9 Å²	26.9	28%	0.278	14%	0.138	S	C	.	.			trans	-165.6	180	173.4	-150.5	12.9	0	0	0	110.5	V560 F564 P575 I578	V560-N562 HydrophobicContact CG1-CB 3.88Å; V560-N562 PolarHBondContact O-N 2.7Å; N562-F564 HydrophobicContact CB-CE1 4.5Å; N562-F564 HydrophobicContact CB-CE2 3.74Å; N562-F564 HydrophobicContact CB-CZ 3.67Å; N562-F564 WeakPolarHBondContact ND2-CE1 3.48Å; N562-F564 WeakPolarHBondContact ND2-CZ 3.4Å; N562-P575 VanDerWaalsContact O-CD 3.32Å; N562-P575 WeakPolarHBondContact O-CD 3.4Å; N562-I578 WeakPolarHBondContact O-CB 3.48Å; N562-I578 WeakPolarHBondContact O-CG2 3.47Å
563	A	97.3	Very high	95.5	Very high	5 Å²	5	22 Å²	22	4%	0.041	11%	0.112	C	C	.	.			trans	-137.2	164.6	164.6	0	0	0	0	0	109.5	V573 F574 I578 V600 E604	A563-V573 WeakPolarHBondContact CA-O 3.39Å; A563-F574 HydrophobicContact CB-CD1 3.65Å; A563-F574 HydrophobicContact CB-CE1 3.85Å; A563-I578 HydrophobicContact CB-CD1 4.41Å; A563-V600 HydrophobicContact CB-CG1 3.53Å; A563-E604 VanDerWaalsContact C-OE1 3.29Å; A563-E604 HydrophobicContact CB-CG 3.78Å; A563-E604 WeakPolarHBondContact CB-OE1 3.47Å
564	F	97.9	Very high	96	Very high	59 Å²	59	18.7 Å²	18.7	26%	0.259	10%	0.095	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	148.1	-172.2	-54.4	-90.6	0	0	0	113.3	I555 I556 V560 N562 I572 V573 P575 E604	I555-F564 HydrophobicContact CD1-CB 3.78Å; I556-F564 HydrophobicContact CB-CD2 4.25Å; I556-F564 HydrophobicContact CB-CE2 4.03Å; I556-F564 HydrophobicContact CD1-CZ 4.46Å; I556-F564 HydrophobicContact CG1-CD2 4.45Å; I556-F564 HydrophobicContact CG1-CE2 3.74Å; I556-F564 HydrophobicContact CG1-CZ 4.08Å; I556-F564 HydrophobicContact CG2-CD2 3.64Å; I556-F564 HydrophobicContact CG2-CE2 3.72Å; V560-F564 HydrophobicContact CG1-CE2 4.14Å; V560-F564 HydrophobicContact CG1-CZ 4.3Å; N562-F564 HydrophobicContact CB-CE1 4.5Å; N562-F564 HydrophobicContact CB-CE2 3.74Å; N562-F564 HydrophobicContact CB-CZ 3.67Å; N562-F564 WeakPolarHBondContact ND2-CE1 3.48Å; N562-F564 WeakPolarHBondContact ND2-CZ 3.4Å; F564-I572 CarbonylContact O-C 2.96Å; F564-I572 WeakPolarHBondContact O-CA 3.44Å; F564-V573 PolarHBondContact N-O 3Å; F564-V573 VanDerWaalsContact N-O 3.14Å; F564-V573 PolarHBondContact O-N 3.32Å; F564-P575 HydrophobicContact CE2-CG 4.47Å; F564-E604 WeakPolarHBondContact CA-OE2 3.38Å; F564-E604 PolarHBondContact N-OE2 2.94Å
565	Y	98.1	Very high	96.3	Very high	28 Å²	28	17.3 Å²	17.3	11%	0.11	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	140.6	165	173.4	-99.2	0	0	0	111	K490 P567 N570 Q571 I572 E604 H607 G608	K490-Y565 PolarHBondContact NZ-OH 3.26Å; Y565-P567 HydrophobicContact CD1-CG 4.15Å; Y565-P567 HydrophobicContact CE1-CB 4.03Å; Y565-P567 HydrophobicContact CE1-CG 3.78Å; Y565-N570 PolarHBondContact OH-OD1 3.08Å; Y565-Q571 CarbonylContact C-O 3.48Å; Y565-Q571 VanDerWaalsContact CA-O 3.31Å; Y565-Q571 WeakPolarHBondContact CA-O 3.42Å; Y565-Q571 WeakPolarHBondContact CD2-O 3.24Å; Y565-I572 HydrophobicContact CD2-CG2 3.81Å; Y565-E604 PolarHBondContact N-OE2 2.97Å; Y565-H607 HydrophobicContact CD1-CB 3.61Å; Y565-H607 HydrophobicContact CE1-CB 4.48Å; Y565-H607 HydrophobicContact CG-CB 3.72Å; Y565-G608 WeakPolarHBondContact OH-CA 3.41Å
566	S	96.8	Very high	96.6	Very high	11 Å²	11	14.7 Å²	14.7	8%	0.077	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	114	173.9	179.5	0	0	0	0	111.1	R569 N570 Q571	S566-R569 PolarHBondContact O-N 3.26Å; S566-N570 WeakPolarHBondContact O-CA 2.91Å; S566-N570 PolarHBondContact O-N 3.27Å; S566-Q571 PolarHBondContact N-O 3.5Å; S566-Q571 PolarHBondContact O-N 2.93Å
567	P	95.9	Very high	96.8	Very high	27 Å²	27	12.9 Å²	12.9	18%	0.175	7%	0.067	C	C	.	.	G	3₁₀ helix	trans	-60.1	-48.6	-179	-23.5	31.3	0	0	0	114	Y565 R569 N570 F616 G620	Y565-P567 HydrophobicContact CD1-CG 4.15Å; Y565-P567 HydrophobicContact CE1-CB 4.03Å; Y565-P567 HydrophobicContact CE1-CG 3.78Å; P567-R569 PolarHBondContact O-N 3.12Å; P567-R569 VanDerWaalsContact O-N 3.11Å; P567-N570 PolarHBondContact O-N 2.93Å; P567-F616 HydrophobicContact CB-CB 4.39Å; P567-F616 HydrophobicContact CB-CD1 4.12Å; P567-F616 HydrophobicContact CB-CD2 3.59Å; P567-F616 HydrophobicContact CB-CE1 4.3Å; P567-F616 HydrophobicContact CB-CE2 3.78Å; P567-F616 HydrophobicContact CB-CG 3.76Å; P567-F616 HydrophobicContact CB-CZ 4.13Å; P567-F616 HydrophobicContact CG-CE2 4.5Å; P567-G620 VanDerWaalsContact O-CA 3.31Å; P567-G620 WeakPolarHBondContact O-CA 3.32Å
568	N	94.8	Very high	96.9	Very high	14 Å²	14	12.9 Å²	12.9	8%	0.075	7%	0.067	C	C	.	.	G	3₁₀ helix	trans	-68.3	-11.5	-177.7	-50.8	94.6	0	0	0	113.9	T229 D231 S234 G620	T229-N568 HydrophobicContact CG2-CB 3.7Å; D231-N568 PolarHBondContact OD1-ND2 3.49Å; D231-N568 VanDerWaalsContact OD1-ND2 3.1Å; S234-N568 WeakPolarHBondContact CB-O 3.28Å; N568-G620 WeakPolarHBondContact CA-O 3.25Å
569	R	95.3	Very high	96.9	Very high	32 Å²	32	13.5 Å²	13.5	12%	0.121	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-112.5	-9.2	-179.9	-64.2	171.1	168.6	-78	-10.6	112.8	D550 S566 P567 Q571	D550-R569 VanDerWaalsContact O-CZ 3.28Å; D550-R569 PolarHBondContact O-NH1 3Å; D550-R569 PolarHBondContact O-NH2 3.45Å; S566-R569 PolarHBondContact O-N 3.26Å; P567-R569 PolarHBondContact O-N 3.12Å; P567-R569 VanDerWaalsContact O-N 3.11Å; R569-Q571 HydrophobicContact CB-CB 3.73Å; R569-Q571 PolarHBondContact O-N 3.22Å
570	N	97	Very high	96.8	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.011	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	41.8	53.5	-167.7	-166.6	30.4	0	0	0	111	K490 I494 K495 Y565 S566 P567 K618	K490-N570 PolarHBondContact O-ND2 2.93Å; I494-N570 CarbonylContact C-O 3.59Å; I494-N570 VanDerWaalsContact CA-O 3.32Å; I494-N570 WeakPolarHBondContact CA-O 3.39Å; I494-N570 WeakPolarHBondContact CG1-OD1 3.08Å; K495-N570 PolarHBondContact N-O 3.23Å; Y565-N570 PolarHBondContact OH-OD1 3.08Å; S566-N570 WeakPolarHBondContact O-CA 2.91Å; S566-N570 PolarHBondContact O-N 3.27Å; P567-N570 PolarHBondContact O-N 2.93Å; N570-K618 PolarHBondContact ND2-O 3.37Å; N570-K618 VanDerWaalsContact ND2-O 3.08Å
571	Q	96.6	Very high	96.8	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	136.8	-166.2	179.9	-170.2	68.8	0	0	111	K495 H497 L553 Y565 S566 R569 V573	K495-Q571 HydrophobicContact CB-CB 4.38Å; K495-Q571 HydrophobicContact CB-CG 4.34Å; K495-Q571 CarbonylContact O-C 3.52Å; K495-Q571 VanDerWaalsContact O-CA 3.31Å; K495-Q571 WeakPolarHBondContact O-CA 3.31Å; H497-Q571 PolarHBondContact CD2-NE2 3.44Å; H497-Q571 PolarHBondContact NE2-NE2 3.12Å; L553-Q571 PolarHBondContact O-NE2 3.41Å; Y565-Q571 CarbonylContact C-O 3.48Å; Y565-Q571 VanDerWaalsContact CA-O 3.31Å; Y565-Q571 WeakPolarHBondContact CA-O 3.42Å; Y565-Q571 WeakPolarHBondContact CD2-O 3.24Å; S566-Q571 PolarHBondContact N-O 3.5Å; S566-Q571 PolarHBondContact O-N 2.93Å; R569-Q571 HydrophobicContact CB-CB 3.73Å; R569-Q571 PolarHBondContact O-N 3.22Å; Q571-V573 HydrophobicContact CG-CG2 4.08Å
572	I	97.8	Very high	96.7	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.01	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	137.1	171.5	60.5	-177.3	0	0	0	110.5	I462 I494 K495 E496 H497 F564 Y565 F574 E604 I605	I462-I572 HydrophobicContact CG2-CD1 3.98Å; I494-I572 HydrophobicContact CG2-CB 4.34Å; I494-I572 HydrophobicContact CG2-CD1 3.85Å; I494-I572 HydrophobicContact CG2-CG1 3.78Å; I494-I572 HydrophobicContact CG2-CG2 3.84Å; K495-I572 PolarHBondContact O-N 3.41Å; E496-I572 HydrophobicContact CB-CD1 4.47Å; E496-I572 HydrophobicContact CB-CG1 4.18Å; H497-I572 PolarHBondContact N-O 3.09Å; F564-I572 CarbonylContact O-C 2.96Å; F564-I572 WeakPolarHBondContact O-CA 3.44Å; Y565-I572 HydrophobicContact CD2-CG2 3.81Å; I572-F574 HydrophobicContact CB-CE2 4.04Å; I572-F574 HydrophobicContact CB-CZ 4.25Å; I572-F574 HydrophobicContact CD1-CE2 3.71Å; I572-F574 HydrophobicContact CD1-CZ 4.11Å; I572-F574 HydrophobicContact CG1-CE2 3.81Å; I572-F574 HydrophobicContact CG1-CZ 4.39Å; I572-E604 HydrophobicContact CB-CB 4.12Å; I572-E604 HydrophobicContact CG2-CB 3.69Å; I572-I605 HydrophobicContact CD1-CG1 4.06Å
573	V	97.6	Very high	96.8	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	125.8	-177.2	-169.1	0	0	0	0	111.2	H497 W554 I555 I556 A563 F564 Q571 P575	H497-V573 HydrophobicContact CB-CB 4.35Å; H497-V573 HydrophobicContact CB-CG1 4.01Å; H497-V573 HydrophobicContact CB-CG2 4.04Å; H497-V573 WeakPolarHBondContact O-CA 3.38Å; W554-V573 HydrophobicContact CD2-CG1 4.49Å; W554-V573 HydrophobicContact CE3-CG1 3.69Å; W554-V573 HydrophobicContact CZ3-CG1 3.72Å; I555-V573 HydrophobicContact CD1-CG2 3.96Å; I555-V573 HydrophobicContact CG1-CG2 3.85Å; I556-V573 HydrophobicContact CG2-CB 4.42Å; I556-V573 HydrophobicContact CG2-CG1 3.87Å; A563-V573 WeakPolarHBondContact CA-O 3.39Å; F564-V573 PolarHBondContact N-O 3Å; F564-V573 VanDerWaalsContact N-O 3.14Å; F564-V573 PolarHBondContact O-N 3.32Å; Q571-V573 HydrophobicContact CG-CG2 4.08Å; V573-P575 WeakPolarHBondContact O-CD 3.34Å
574	F	97.6	Very high	96.8	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	89.3	175.4	-54.2	-81.2	0	0	0	110	I462 H497 G499 A563 I572 I578 L579 I597 V600 I601 E604	I462-F574 HydrophobicContact CD1-CD2 3.89Å; I462-F574 HydrophobicContact CD1-CE2 3.72Å; I462-F574 HydrophobicContact CG1-CE2 4.17Å; H497-F574 PolarHBondContact O-N 2.98Å; G499-F574 PolarHBondContact N-O 3.43Å; A563-F574 HydrophobicContact CB-CD1 3.65Å; A563-F574 HydrophobicContact CB-CE1 3.85Å; I572-F574 HydrophobicContact CB-CE2 4.04Å; I572-F574 HydrophobicContact CB-CZ 4.25Å; I572-F574 HydrophobicContact CD1-CE2 3.71Å; I572-F574 HydrophobicContact CD1-CZ 4.11Å; I572-F574 HydrophobicContact CG1-CE2 3.81Å; I572-F574 HydrophobicContact CG1-CZ 4.39Å; F574-I578 HydrophobicContact CB-CG2 4.47Å; F574-L579 HydrophobicContact CB-CD2 4.31Å; F574-I597 HydrophobicContact CD1-CD1 4.37Å; F574-V600 HydrophobicContact CD1-CG1 4.41Å; F574-V600 HydrophobicContact CE1-CG1 4.13Å; F574-I601 HydrophobicContact CD1-CG1 4.31Å; F574-I601 HydrophobicContact CE1-CB 4.29Å; F574-I601 HydrophobicContact CE1-CG1 3.68Å; F574-I601 HydrophobicContact CE2-CG1 4.08Å; F574-I601 HydrophobicContact CZ-CB 4.01Å; F574-I601 HydrophobicContact CZ-CG1 3.57Å; F574-I601 HydrophobicContact CZ-CG2 4.31Å; F574-E604 HydrophobicContact CE1-CB 4.32Å; F574-E604 HydrophobicContact CE1-CG 3.7Å; F574-E604 HydrophobicContact CZ-CB 4.03Å; F574-E604 HydrophobicContact CZ-CG 3.9Å
575	P	97.1	Very high	96.6	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.8	152.4	176.1	-25.7	34.3	0	0	0	113.2	G499 I556 A558 V560 N562 F564 V573 G577 I578	G499-P575 CarbonylContact O-C 3.54Å; I556-P575 HydrophobicContact CG2-CG 3.76Å; A558-P575 WeakPolarHBondContact O-CB 3.31Å; V560-P575 HydrophobicContact CB-CB 4.08Å; V560-P575 HydrophobicContact CB-CG 4.1Å; V560-P575 WeakPolarHBondContact O-CB 3.33Å; N562-P575 VanDerWaalsContact O-CD 3.32Å; N562-P575 WeakPolarHBondContact O-CD 3.4Å; F564-P575 HydrophobicContact CE2-CG 4.47Å; V573-P575 WeakPolarHBondContact O-CD 3.34Å; P575-G577 PolarHBondContact O-N 3.44Å; P575-I578 WeakPolarHBondContact O-CG2 3.4Å; P575-I578 PolarHBondContact O-N 2.79Å; P575-I578 VanDerWaalsContact O-N 3.13Å
576	A	96.6	Very high	96.3	Very high	3 Å²	3	15.3 Å²	15.3	3%	0.025	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-28.7	178.2	0	0	0	0	0	113	Y445 V446 F450 G499 A558 I578 L579	Y445-A576 HydrophobicContact CD1-CB 4.42Å; Y445-A576 HydrophobicContact CE1-CB 4.14Å; V446-A576 HydrophobicContact CG2-CB 3.92Å; F450-A576 HydrophobicContact CB-CB 4.39Å; F450-A576 HydrophobicContact CD2-CB 3.57Å; F450-A576 HydrophobicContact CE2-CB 4.01Å; F450-A576 HydrophobicContact CG-CB 4.02Å; G499-A576 PolarHBondContact O-N 2.95Å; A558-A576 PolarHBondContact O-N 2.99Å; A558-A576 VanDerWaalsContact O-N 3.09Å; A576-I578 VanDerWaalsContact C-N 3.35Å; A576-I578 PolarHBondContact O-N 2.73Å; A576-L579 PolarHBondContact O-N 3.32Å
577	G	96.6	Very high	96	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-27.8	178.6	0	0	0	0	0	115.3	A558 V560 P575 Q580	A558-G577 PolarHBondContact O-N 3.03Å; A558-G577 VanDerWaalsContact O-N 3.12Å; V560-G577 CarbonylContact O-C 3.6Å; V560-G577 WeakPolarHBondContact O-CA 3.43Å; P575-G577 PolarHBondContact O-N 3.44Å; G577-Q580 PolarHBondContact O-NE2 2.97Å
578	I	97.4	Very high	95.8	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.005	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-17.6	175.9	-160.7	164	0	0	0	113.1	F129 V560 N562 A563 F574 P575 A576 Q580 F583 I597 V600	F129-I578 HydrophobicContact CE1-CD1 4.43Å; V560-I578 PolarHBondContact O-N 2.74Å; N562-I578 WeakPolarHBondContact O-CB 3.48Å; N562-I578 WeakPolarHBondContact O-CG2 3.47Å; A563-I578 HydrophobicContact CB-CD1 4.41Å; F574-I578 HydrophobicContact CB-CG2 4.47Å; P575-I578 WeakPolarHBondContact O-CG2 3.4Å; P575-I578 PolarHBondContact O-N 2.79Å; P575-I578 VanDerWaalsContact O-N 3.13Å; A576-I578 VanDerWaalsContact C-N 3.35Å; A576-I578 PolarHBondContact O-N 2.73Å; I578-Q580 PolarHBondContact O-N 3.42Å; I578-F583 HydrophobicContact CG1-CD1 4.4Å; I578-F583 HydrophobicContact CG1-CD2 3.88Å; I578-F583 HydrophobicContact CG1-CE2 4.14Å; I578-F583 HydrophobicContact CG1-CG 4.02Å; I578-F583 WeakPolarHBondContact O-CB 3.37Å; I578-I597 HydrophobicContact CG2-CD1 4.2Å; I578-V600 HydrophobicContact CD1-CG1 4.12Å
579	L	96.4	Very high	95.8	Very high	12 Å²	12	18.5 Å²	18.5	6%	0.063	9%	0.094	C	C	.	.	S	Bend	trans	-81.5	53.4	-175	-59.9	-178.8	0	0	0	112.7	F450 V458 I498 F574 A576 F584 I597	F450-L579 HydrophobicContact CE2-CB 3.95Å; F450-L579 HydrophobicContact CE2-CD1 3.69Å; F450-L579 HydrophobicContact CE2-CG 4.44Å; F450-L579 HydrophobicContact CZ-CD1 3.88Å; V458-L579 HydrophobicContact CG1-CD2 4.14Å; V458-L579 HydrophobicContact CG2-CD1 4.19Å; V458-L579 HydrophobicContact CG2-CD2 3.8Å; I498-L579 HydrophobicContact CG2-CD1 3.87Å; F574-L579 HydrophobicContact CB-CD2 4.31Å; A576-L579 PolarHBondContact O-N 3.32Å; L579-F584 HydrophobicContact CB-CD1 4.45Å; L579-I597 HydrophobicContact CD2-CD1 3.71Å; L579-I597 HydrophobicContact CD2-CG1 3.91Å
580	Q	95.1	Very high	95.9	Very high	45 Å²	45	18.3 Å²	18.3	21%	0.21	9%	0.094	C	C	.	.	S	Bend	trans	-145.8	164	179.9	62.2	-178.3	-60.8	0	0	111	L132 Y445 G577 I578 F583 F584	L132-Q580 HydrophobicContact CD1-CG 4.43Å; L132-Q580 HydrophobicContact CD2-CG 4.21Å; Y445-Q580 PolarHBondContact OH-NE2 3.19Å; G577-Q580 PolarHBondContact O-NE2 2.97Å; I578-Q580 PolarHBondContact O-N 3.42Å; Q580-F583 WeakPolarHBondContact O-CB 3.35Å; Q580-F583 PolarHBondContact O-N 3.13Å; Q580-F584 CarbonylContact C-O 3.6Å; Q580-F584 WeakPolarHBondContact CA-O 3.39Å; Q580-F584 PolarHBondContact O-N 3.17Å
581	P	95.8	Very high	96	Very high	69 Å²	69	18.2 Å²	18.2	45%	0.448	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	142.3	177.9	-27.6	36.4	0	0	0	112.4	L132 F584	L132-P581 WeakPolarHBondContact CD2-O 3.45Å; P581-F584 WeakPolarHBondContact CD-O 3.46Å
582	P	97.2	Very high	96	Very high	12 Å²	12	18.2 Å²	18.2	8%	0.078	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	cis	-85.4	-3.7	8.5	35.3	-36.3	0	0	0	115.2	V128 Q588 N708 V712	V128-P582 HydrophobicContact CG1-CG 3.57Å; P582-Q588 PolarHBondContact O-NE2 3.46Å; P582-N708 PolarHBondContact O-ND2 3.25Å; P582-N708 VanDerWaalsContact O-ND2 3.12Å; P582-V712 HydrophobicContact CG-CG1 4.18Å
583	F	98	Very high	96.1	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-53.1	-177	-60	-79	0	0	0	111.7	F129 L132 I578 Q580 Q588 I597 V600 V712	F129-F583 HydrophobicContact CD1-CZ 4.14Å; F129-F583 HydrophobicContact CD2-CZ 4.3Å; F129-F583 HydrophobicContact CE1-CE1 4.24Å; F129-F583 HydrophobicContact CE1-CE2 4.36Å; F129-F583 AromaticContact CE1-CZ 3.59Å; F129-F583 HydrophobicContact CE1-CZ 3.59Å; F129-F583 HydrophobicContact CE2-CE1 4.32Å; F129-F583 AromaticContact CE2-CZ 3.76Å; F129-F583 HydrophobicContact CE2-CZ 3.76Å; F129-F583 HydrophobicContact CG-CZ 4.48Å; F129-F583 AromaticContact CZ-CE1 3.79Å; F129-F583 HydrophobicContact CZ-CE1 3.79Å; F129-F583 AromaticContact CZ-CZ 3.39Å; F129-F583 HydrophobicContact CZ-CZ 3.39Å; L132-F583 HydrophobicContact CD1-CD2 3.94Å; L132-F583 HydrophobicContact CD1-CE2 3.58Å; I578-F583 HydrophobicContact CG1-CD1 4.4Å; I578-F583 HydrophobicContact CG1-CD2 3.88Å; I578-F583 HydrophobicContact CG1-CE2 4.14Å; I578-F583 HydrophobicContact CG1-CG 4.02Å; I578-F583 WeakPolarHBondContact O-CB 3.37Å; Q580-F583 WeakPolarHBondContact O-CB 3.35Å; Q580-F583 PolarHBondContact O-N 3.13Å; F583-Q588 PolarHBondContact O-NE2 3.48Å; F583-I597 HydrophobicContact CB-CB 4.19Å; F583-I597 HydrophobicContact CB-CD1 4.44Å; F583-I597 WeakPolarHBondContact O-CB 3.43Å; F583-I597 WeakPolarHBondContact O-CG2 3.39Å; F583-I597 PolarHBondContact O-N 2.94Å; F583-V600 HydrophobicContact CD1-CG2 3.93Å; F583-V600 HydrophobicContact CE1-CG2 4.09Å; F583-V712 HydrophobicContact CD1-CB 4.31Å; F583-V712 HydrophobicContact CD1-CG1 4.01Å; F583-V712 HydrophobicContact CE1-CB 3.65Å; F583-V712 HydrophobicContact CE1-CG1 3.88Å; F583-V712 HydrophobicContact CE1-CG2 4.07Å; F583-V712 HydrophobicContact CZ-CB 4.07Å
584	F	96.9	Very high	96.1	Very high	3 Å²	3	18.1 Å²	18.1	1%	0.013	9%	0.093	C	C	.	.			trans	-142	137	-174.2	178.9	-104.7	0	0	0	112.8	M457 V458 L461 L579 Q580 P581 N593 I597	M457-F584 HydrophobicContact CB-CE2 4.28Å; M457-F584 HydrophobicContact CB-CZ 3.85Å; M457-F584 HydrophobicContact CE-CZ 4.43Å; M457-F584 HydrophobicContact SD-CZ 4.28Å; V458-F584 HydrophobicContact CG2-CD1 4.29Å; V458-F584 HydrophobicContact CG2-CD2 4.28Å; V458-F584 HydrophobicContact CG2-CE1 4.17Å; V458-F584 HydrophobicContact CG2-CE2 4.14Å; V458-F584 HydrophobicContact CG2-CG 4.34Å; V458-F584 HydrophobicContact CG2-CZ 4.09Å; L461-F584 HydrophobicContact CD1-CD2 4.17Å; L461-F584 HydrophobicContact CD1-CE2 4.11Å; L579-F584 HydrophobicContact CB-CD1 4.45Å; Q580-F584 CarbonylContact C-O 3.6Å; Q580-F584 WeakPolarHBondContact CA-O 3.39Å; Q580-F584 PolarHBondContact O-N 3.17Å; P581-F584 WeakPolarHBondContact CD-O 3.46Å; F584-N593 WeakPolarHBondContact CA-OD1 3.18Å; F584-I597 HydrophobicContact CB-CB 3.99Å; F584-I597 HydrophobicContact CB-CG1 4.42Å; F584-I597 HydrophobicContact CB-CG2 3.84Å; F584-I597 HydrophobicContact CD2-CG2 3.83Å; F584-I597 HydrophobicContact CG-CG2 4.25Å
585	S	94.2	Very high	96.2	Very high	18 Å²	18	18.1 Å²	18.1	13%	0.126	9%	0.093	C	C	.	.			trans	-150.5	141.3	158	165.4	0	0	0	0	109.5	H587 Q588 N593	S585-H587 PolarHBondContact O-N 3.25Å; S585-H587 VanDerWaalsContact O-N 3.15Å; S585-H587 PolarHBondContact OG-N 3.09Å; S585-H587 VanDerWaalsContact OG-N 3.07Å; S585-Q588 WeakPolarHBondContact O-CG 3.37Å; S585-Q588 PolarHBondContact O-N 2.92Å; S585-N593 PolarHBondContact N-OD1 3.34Å; S585-N593 PolarHBondContact O-ND2 3.44Å; S585-N593 PolarHBondContact O-OD1 3.46Å
586	K	90.8	Very high	96.2	Very high	70 Å²	70	18.1 Å²	18.1	30%	0.304	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-16.1	173.7	72.4	-180	-166.7	177.2	0	113.7	E453 M457	E453-K586 IonicContact OE2-NZ 3.86Å; E453-K586 PolarHBondContact OE2-NZ 3.34Å; M457-K586 HydrophobicContact CE-CB 3.9Å; M457-K586 HydrophobicContact SD-CB 3.4Å; M457-K586 WeakPolarHBondContact SD-CB 3.13Å
587	H	90.6	Very high	96.3	Very high	102 Å²	102	18 Å²	18	47%	0.472	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-4.7	-177	-58.2	-56.1	0	0	0	113.6	D83 S585	D83-H587 HydrophobicContact CB-CB 3.73Å; D83-H587 WeakPolarHBondContact CB-O 3.25Å; D83-H587 WeakPolarHBondContact OD1-CB 3.27Å; D83-H587 WeakPolarHBondContact OD2-CB 3.45Å; D83-H587 IonicContact OD2-CG 2.75Å; S585-H587 PolarHBondContact O-N 3.25Å; S585-H587 VanDerWaalsContact O-N 3.15Å; S585-H587 PolarHBondContact OG-N 3.09Å; S585-H587 VanDerWaalsContact OG-N 3.07Å
588	Q	92.7	Very high	96.4	Very high	11 Å²	11	18 Å²	18	5%	0.051	9%	0.092	C	C	.	.	S	Bend	trans	-88.9	156.1	172.9	78.8	179.7	3.9	0	0	110.9	P582 F583 S585 L592 N593	P582-Q588 PolarHBondContact O-NE2 3.46Å; F583-Q588 PolarHBondContact O-NE2 3.48Å; S585-Q588 WeakPolarHBondContact O-CG 3.37Å; S585-Q588 PolarHBondContact O-N 2.92Å; Q588-L592 HydrophobicContact CB-CD1 4.41Å; Q588-L592 HydrophobicContact CG-CB 4.27Å; Q588-N593 VanDerWaalsContact CG-OD1 3.22Å; Q588-N593 WeakPolarHBondContact CG-OD1 3.33Å; Q588-N593 PolarHBondContact NE2-OD1 2.92Å; Q588-N593 PolarHBondContact O-ND2 3.46Å
589	H	95.4	Very high	96.5	Very high	7 Å²	7	18 Å²	18	3%	0.032	9%	0.092	C	C	.	.			trans	-54.6	143.1	177.3	-74.4	82.6	0	0	0	111.7	C84 A591 L592 N593 E691 P692 L694 H701	C84-H589 PolarHBondContact SG-CE1 3.17Å; H589-A591 VanDerWaalsContact C-N 3.27Å; H589-A591 PolarHBondContact O-N 3.2Å; H589-L592 HydrophobicContact CB-CD1 4.48Å; H589-L592 HydrophobicContact CB-CG 4.26Å; H589-L592 WeakPolarHBondContact O-CB 3.16Å; H589-L592 PolarHBondContact O-N 3.46Å; H589-N593 PolarHBondContact O-N 3.12Å; H589-N593 VanDerWaalsContact O-N 3.09Å; H589-E691 WeakPolarHBondContact CA-OE1 3.35Å; H589-E691 WeakPolarHBondContact CB-OE2 3.44Å; H589-E691 IonicContact CD2-OE1 3.83Å; H589-E691 IonicContact CD2-OE2 3.64Å; H589-E691 IonicContact CG-OE2 3.94Å; H589-P692 PolarHBondContact NE2-O 2.99Å; H589-L694 WeakPolarHBondContact CE1-CD2 3.43Å; H589-L694 VanDerWaalsContact ND1-CD2 3.3Å; H589-L694 WeakPolarHBondContact ND1-CD2 3.43Å; H589-H701 AromaticContact CD2-NE2 3.56Å
590	Q	97.2	Very high	96.6	Very high	27 Å²	27	17.9 Å²	17.9	13%	0.126	9%	0.092	C	C	.	.	H	α-helix	trans	-61.7	-34.9	178.1	-67.7	-55.4	-41.4	0	0	112.2	L592 N593 F594 W684 E691	Q590-L592 PolarHBondContact O-N 3.44Å; Q590-L592 VanDerWaalsContact O-N 3.15Å; Q590-N593 PolarHBondContact NE2-ND2 2.95Å; Q590-N593 PolarHBondContact O-N 3.47Å; Q590-F594 HydrophobicContact CB-CD2 4.11Å; Q590-F594 HydrophobicContact CB-CE2 4.22Å; Q590-F594 VanDerWaalsContact O-CD2 3.29Å; Q590-F594 WeakPolarHBondContact O-CD2 3.44Å; Q590-F594 PolarHBondContact O-N 3.45Å; Q590-W684 HydrophobicContact CB-CD2 4.14Å; Q590-W684 HydrophobicContact CB-CE3 3.94Å; Q590-W684 HydrophobicContact CB-CH2 3.93Å; Q590-W684 HydrophobicContact CB-CZ2 4.11Å; Q590-W684 HydrophobicContact CB-CZ3 3.83Å; Q590-W684 HydrophobicContact CG-CD2 4.16Å; Q590-W684 HydrophobicContact CG-CE3 4.33Å; Q590-W684 HydrophobicContact CG-CH2 3.69Å; Q590-W684 HydrophobicContact CG-CZ2 3.46Å; Q590-W684 VanDerWaalsContact CG-CZ2 3.46Å; Q590-W684 HydrophobicContact CG-CZ3 4.11Å; Q590-E691 VanDerWaalsContact N-CD 3.27Å; Q590-E691 PolarHBondContact N-OE1 2.76Å; Q590-E691 PolarHBondContact N-OE2 3.47Å
591	A	97.8	Very high	96.8	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-52.6	-38.5	172.5	0	0	0	0	0	112.6	H589 G595 Y681 E691 H701 L704 F705	H589-A591 VanDerWaalsContact C-N 3.27Å; H589-A591 PolarHBondContact O-N 3.2Å; A591-G595 PolarHBondContact O-N 3.28Å; A591-G595 VanDerWaalsContact O-N 3.07Å; A591-Y681 HydrophobicContact CB-CE1 4.47Å; A591-Y681 HydrophobicContact CB-CE2 3.87Å; A591-E691 PolarHBondContact N-OE2 3.45Å; A591-H701 HydrophobicContact CB-CB 3.94Å; A591-H701 WeakPolarHBondContact CB-O 3.38Å; A591-L704 HydrophobicContact CB-CB 4.42Å; A591-F705 WeakPolarHBondContact O-CA 3.45Å
592	L	98.4	Very high	96.9	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-75.5	-43.4	175.9	-52.1	-179.8	0	0	0	111.4	A87 L91 Q588 H589 Q590 F594 G595 G596 L694 L704 N708	A87-L592 HydrophobicContact CB-CD1 3.83Å; L91-L592 HydrophobicContact CD1-CD1 4.43Å; L91-L592 HydrophobicContact CD1-CD2 3.98Å; Q588-L592 HydrophobicContact CB-CD1 4.41Å; Q588-L592 HydrophobicContact CG-CB 4.27Å; H589-L592 HydrophobicContact CB-CD1 4.48Å; H589-L592 HydrophobicContact CB-CG 4.26Å; H589-L592 WeakPolarHBondContact O-CB 3.16Å; H589-L592 PolarHBondContact O-N 3.46Å; Q590-L592 PolarHBondContact O-N 3.44Å; Q590-L592 VanDerWaalsContact O-N 3.15Å; L592-F594 PolarHBondContact O-N 2.89Å; L592-G595 PolarHBondContact O-N 3.42Å; L592-G596 PolarHBondContact O-N 2.91Å; L592-L694 HydrophobicContact CD1-CD1 4.3Å; L592-L704 HydrophobicContact CD2-CB 4.23Å; L592-N708 HydrophobicContact CB-CB 4.39Å; L592-N708 HydrophobicContact CD2-CB 3.7Å; L592-N708 PolarHBondContact O-ND2 2.89Å
593	N	98.4	Very high	97	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-59	-46.9	176.7	-75.6	-35.1	0	0	0	111.7	F584 S585 Q588 H589 Q590 G596 I597 G598	F584-N593 WeakPolarHBondContact CA-OD1 3.18Å; S585-N593 PolarHBondContact N-OD1 3.34Å; S585-N593 PolarHBondContact O-ND2 3.44Å; S585-N593 PolarHBondContact O-OD1 3.46Å; Q588-N593 VanDerWaalsContact CG-OD1 3.22Å; Q588-N593 WeakPolarHBondContact CG-OD1 3.33Å; Q588-N593 PolarHBondContact NE2-OD1 2.92Å; Q588-N593 PolarHBondContact O-ND2 3.46Å; H589-N593 PolarHBondContact O-N 3.12Å; H589-N593 VanDerWaalsContact O-N 3.09Å; Q590-N593 PolarHBondContact NE2-ND2 2.95Å; Q590-N593 PolarHBondContact O-N 3.47Å; N593-G596 CarbonylContact O-C 3.35Å; N593-G596 PolarHBondContact O-N 2.9Å; N593-I597 WeakPolarHBondContact O-CG2 3.35Å; N593-I597 PolarHBondContact O-N 2.75Å; N593-G598 PolarHBondContact O-N 3.08Å
594	F	98.8	Very high	97	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.062	C	C	.	.	I	π-helix	trans	-66.8	-41.1	177.1	-79.5	-80.5	0	0	0	112	L461 K464 I465 Q590 L592 G596 G598 M599 A677 A680 Y681 W684 F705	L461-F594 HydrophobicContact CD2-CD1 4.26Å; L461-F594 HydrophobicContact CD2-CD2 4.36Å; L461-F594 HydrophobicContact CD2-CE1 3.74Å; L461-F594 HydrophobicContact CD2-CE2 3.87Å; L461-F594 HydrophobicContact CD2-CZ 3.54Å; K464-F594 HydrophobicContact CD-CZ 4.17Å; I465-F594 HydrophobicContact CG1-CE1 4.45Å; Q590-F594 HydrophobicContact CB-CD2 4.11Å; Q590-F594 HydrophobicContact CB-CE2 4.22Å; Q590-F594 VanDerWaalsContact O-CD2 3.29Å; Q590-F594 WeakPolarHBondContact O-CD2 3.44Å; Q590-F594 PolarHBondContact O-N 3.45Å; L592-F594 PolarHBondContact O-N 2.89Å; F594-G596 VanDerWaalsContact C-N 3.26Å; F594-G596 PolarHBondContact O-N 3.35Å; F594-G598 CarbonylContact O-C 3.36Å; F594-G598 VanDerWaalsContact O-CA 3.28Å; F594-G598 WeakPolarHBondContact O-CA 3.46Å; F594-G598 PolarHBondContact O-N 2.89Å; F594-M599 PolarHBondContact O-N 2.95Å; F594-A677 WeakPolarHBondContact CD1-O 3.14Å; F594-A677 WeakPolarHBondContact O-CB 3.3Å; F594-A680 HydrophobicContact CD1-CB 4.07Å; F594-A680 HydrophobicContact CE1-CB 3.59Å; F594-Y681 HydrophobicContact CB-CD2 4.32Å; F594-Y681 HydrophobicContact CB-CG 4.3Å; F594-Y681 AromaticContact CD2-CD2 3.65Å; F594-Y681 HydrophobicContact CD2-CD2 3.65Å; F594-Y681 HydrophobicContact CD2-CG 4.26Å; F594-Y681 HydrophobicContact CE2-CD2 4.27Å; F594-Y681 HydrophobicContact CG-CD2 4.2Å; F594-Y681 HydrophobicContact CG-CG 4.38Å; F594-W684 HydrophobicContact CE2-CB 3.96Å; F594-W684 HydrophobicContact CE2-CD2 4.4Å; F594-W684 AromaticContact CE2-CG 3.93Å; F594-W684 HydrophobicContact CE2-CG 3.93Å; F594-W684 HydrophobicContact CZ-CB 4.02Å; F594-W684 HydrophobicContact CZ-CG 4.28Å; F594-F705 VanDerWaalsContact C-CE2 3.43Å; F594-F705 HydrophobicContact CB-CD2 3.95Å; F594-F705 HydrophobicContact CB-CE2 3.82Å
595	G	98.5	Very high	97.1	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.061	C	C	.	.	I	π-helix	trans	-70.1	-21.3	175.7	0	0	0	0	0	114.1	A591 L592 F705 F709	A591-G595 PolarHBondContact O-N 3.28Å; A591-G595 VanDerWaalsContact O-N 3.07Å; L592-G595 PolarHBondContact O-N 3.42Å; G595-F705 VanDerWaalsContact N-CD2 3.34Å; G595-F709 WeakPolarHBondContact O-CA 3.47Å; G595-F709 WeakPolarHBondContact O-CB 3.4Å
596	G	98.5	Very high	97.3	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.055	C	C	.	.	I	π-helix	trans	-97.4	-98.1	177.7	0	0	0	0	0	111.6	L592 N593 F594 G598 M599 V600	L592-G596 PolarHBondContact O-N 2.91Å; N593-G596 CarbonylContact O-C 3.35Å; N593-G596 PolarHBondContact O-N 2.9Å; F594-G596 VanDerWaalsContact C-N 3.26Å; F594-G596 PolarHBondContact O-N 3.35Å; G596-G598 PolarHBondContact O-N 3.14Å; G596-M599 PolarHBondContact O-N 2.67Å; G596-V600 PolarHBondContact O-N 3.14Å
597	I	98.6	Very high	97.7	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.045	C	C	.	.	I	π-helix	trans	-62.6	-29.4	-177.8	-164.8	62.1	0	0	0	112.7	L461 F574 I578 L579 F583 F584 N593 V600 I601	L461-I597 HydrophobicContact CD1-CG2 3.8Å; F574-I597 HydrophobicContact CD1-CD1 4.37Å; I578-I597 HydrophobicContact CG2-CD1 4.2Å; L579-I597 HydrophobicContact CD2-CD1 3.71Å; L579-I597 HydrophobicContact CD2-CG1 3.91Å; F583-I597 HydrophobicContact CB-CB 4.19Å; F583-I597 HydrophobicContact CB-CD1 4.44Å; F583-I597 WeakPolarHBondContact O-CB 3.43Å; F583-I597 WeakPolarHBondContact O-CG2 3.39Å; F583-I597 PolarHBondContact O-N 2.94Å; F584-I597 HydrophobicContact CB-CB 3.99Å; F584-I597 HydrophobicContact CB-CG1 4.42Å; F584-I597 HydrophobicContact CB-CG2 3.84Å; F584-I597 HydrophobicContact CD2-CG2 3.83Å; F584-I597 HydrophobicContact CG-CG2 4.25Å; N593-I597 WeakPolarHBondContact O-CG2 3.35Å; N593-I597 PolarHBondContact O-N 2.75Å; I597-V600 HydrophobicContact CD1-CB 4.29Å; I597-V600 HydrophobicContact CD1-CG1 4.47Å; I597-V600 PolarHBondContact O-N 2.87Å; I597-I601 HydrophobicContact CG1-CD1 4.1Å; I597-I601 HydrophobicContact CG1-CG1 4.37Å; I597-I601 WeakPolarHBondContact O-CD1 3.47Å; I597-I601 VanDerWaalsContact O-CG1 3.25Å; I597-I601 WeakPolarHBondContact O-CG1 3.42Å; I597-I601 PolarHBondContact O-N 2.76Å
598	G	98.7	Very high	98.1	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	2%	0.022	C	C	.	.	I	π-helix	trans	-64.7	-42.3	177.1	0	0	0	0	0	112.5	I465 N593 F594 G596 V600 I601 G602 A677	I465-G598 VanDerWaalsContact CD1-CA 3.45Å; I465-G598 VanDerWaalsContact CD1-O 3.32Å; I465-G598 WeakPolarHBondContact CD1-O 3.42Å; N593-G598 PolarHBondContact O-N 3.08Å; F594-G598 CarbonylContact O-C 3.36Å; F594-G598 VanDerWaalsContact O-CA 3.28Å; F594-G598 WeakPolarHBondContact O-CA 3.46Å; F594-G598 PolarHBondContact O-N 2.89Å; G596-G598 PolarHBondContact O-N 3.14Å; G598-V600 VanDerWaalsContact C-N 3.34Å; G598-I601 PolarHBondContact O-N 3.3Å; G598-G602 PolarHBondContact O-N 3.08Å; G598-A677 VanDerWaalsContact C-CB 3.45Å
599	M	98.6	Very high	98.3	Very high	1 Å²	1	4.1 Å²	4.1	1%	0.005	2%	0.02	C	C	.	.	H	α-helix	trans	-62.6	-43.3	173.3	179.4	-85.5	-70.8	0	0	110.9	F594 G596 I601 G602 H603 V674 A677 F709 V712 W713	F594-M599 PolarHBondContact O-N 2.95Å; G596-M599 PolarHBondContact O-N 2.67Å; M599-I601 VanDerWaalsContact C-N 3.32Å; M599-I601 PolarHBondContact O-N 2.99Å; M599-G602 PolarHBondContact O-N 3.26Å; M599-H603 WeakPolarHBondContact O-CB 3.31Å; M599-H603 PolarHBondContact O-N 3.04Å; M599-H603 HydrophobicContact SD-CB 4.5Å; M599-V674 HydrophobicContact CG-CB 4.02Å; M599-A677 HydrophobicContact CB-CB 4.33Å; M599-F709 HydrophobicContact CB-CD2 4.25Å; M599-F709 HydrophobicContact CE-CD2 3.53Å; M599-F709 HydrophobicContact CE-CE2 3.56Å; M599-F709 HydrophobicContact CG-CD2 3.68Å; M599-F709 HydrophobicContact CG-CE2 3.78Å; M599-F709 HydrophobicContact SD-CD2 4.26Å; M599-F709 HydrophobicContact SD-CE2 4.04Å; M599-V712 HydrophobicContact CE-CG2 4.08Å; M599-W713 HydrophobicContact CE-CZ2 3.49Å; M599-W713 VanDerWaalsContact CE-CZ2 3.49Å; M599-W713 HydrophobicContact SD-CZ2 4.32Å
600	V	98.8	Very high	98.4	Very high	10 Å²	10	4.3 Å²	4.3	6%	0.061	2%	0.021	C	C	.	.	H	α-helix	trans	-60.9	-41.2	176.4	179.6	0	0	0	0	111.2	A563 F574 I578 F583 G596 I597 G598 H603 E604	A563-V600 HydrophobicContact CB-CG1 3.53Å; F574-V600 HydrophobicContact CD1-CG1 4.41Å; F574-V600 HydrophobicContact CE1-CG1 4.13Å; I578-V600 HydrophobicContact CD1-CG1 4.12Å; F583-V600 HydrophobicContact CD1-CG2 3.93Å; F583-V600 HydrophobicContact CE1-CG2 4.09Å; G596-V600 PolarHBondContact O-N 3.14Å; I597-V600 HydrophobicContact CD1-CB 4.29Å; I597-V600 HydrophobicContact CD1-CG1 4.47Å; I597-V600 PolarHBondContact O-N 2.87Å; G598-V600 VanDerWaalsContact C-N 3.34Å; V600-H603 WeakPolarHBondContact O-CB 3.31Å; V600-H603 PolarHBondContact O-N 3.36Å; V600-E604 WeakPolarHBondContact O-CG 3.31Å; V600-E604 PolarHBondContact O-N 2.97Å
601	I	98.8	Very high	98.4	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-61.9	-47	175.2	-71	159.6	0	0	0	111.4	V458 L461 I462 I465 F574 I597 G598 M599 H603 E604 I605	V458-I601 HydrophobicContact CG1-CD1 4.42Å; L461-I601 HydrophobicContact CB-CD1 3.95Å; I462-I601 HydrophobicContact CB-CG2 4.28Å; I462-I601 HydrophobicContact CG1-CD1 3.77Å; I462-I601 HydrophobicContact CG1-CG1 3.94Å; I462-I601 HydrophobicContact CG1-CG2 3.8Å; I462-I601 HydrophobicContact CG2-CG2 4.45Å; I465-I601 HydrophobicContact CB-CG2 4.04Å; I465-I601 HydrophobicContact CD1-CB 3.74Å; I465-I601 HydrophobicContact CD1-CD1 4.05Å; I465-I601 HydrophobicContact CD1-CG2 3.67Å; I465-I601 HydrophobicContact CG1-CG2 4.48Å; I465-I601 HydrophobicContact CG2-CG2 4.06Å; F574-I601 HydrophobicContact CD1-CG1 4.31Å; F574-I601 HydrophobicContact CE1-CB 4.29Å; F574-I601 HydrophobicContact CE1-CG1 3.68Å; F574-I601 HydrophobicContact CE2-CG1 4.08Å; F574-I601 HydrophobicContact CZ-CB 4.01Å; F574-I601 HydrophobicContact CZ-CG1 3.57Å; F574-I601 HydrophobicContact CZ-CG2 4.31Å; I597-I601 HydrophobicContact CG1-CD1 4.1Å; I597-I601 HydrophobicContact CG1-CG1 4.37Å; I597-I601 WeakPolarHBondContact O-CD1 3.47Å; I597-I601 VanDerWaalsContact O-CG1 3.25Å; I597-I601 WeakPolarHBondContact O-CG1 3.42Å; I597-I601 PolarHBondContact O-N 2.76Å; G598-I601 PolarHBondContact O-N 3.3Å; M599-I601 VanDerWaalsContact C-N 3.32Å; M599-I601 PolarHBondContact O-N 2.99Å; I601-H603 VanDerWaalsContact C-N 3.26Å; I601-H603 PolarHBondContact O-N 3.02Å; I601-E604 PolarHBondContact O-N 3.44Å; I601-I605 HydrophobicContact CG2-CD1 3.85Å; I601-I605 WeakPolarHBondContact O-CG1 3.35Å; I601-I605 PolarHBondContact O-N 3.33Å
602	G	98.7	Very high	98.3	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-63.2	-35.1	177	0	0	0	0	0	112.3	G598 M599 I605 T606 Q676	G598-G602 PolarHBondContact O-N 3.08Å; M599-G602 PolarHBondContact O-N 3.26Å; G602-I605 PolarHBondContact O-N 3.44Å; G602-T606 VanDerWaalsContact O-CB 3.29Å; G602-T606 WeakPolarHBondContact O-CB 3.12Å; G602-T606 PolarHBondContact O-N 3.1Å; G602-T606 PolarHBondContact O-OG1 2.5Å; G602-Q676 VanDerWaalsContact CA-OE1 3.32Å; G602-Q676 PolarHBondContact O-OE1 3.28Å
603	H	98.8	Very high	98.2	Very high	12 Å²	12	6.2 Å²	6.2	6%	0.056	3%	0.032	C	C	.	.	H	α-helix	trans	-60.2	-52.5	174.4	-179.6	98.2	0	0	0	110.8	M599 V600 I601 I605 T606 H607 E666 A669 D670 R737	M599-H603 WeakPolarHBondContact O-CB 3.31Å; M599-H603 PolarHBondContact O-N 3.04Å; M599-H603 HydrophobicContact SD-CB 4.5Å; V600-H603 WeakPolarHBondContact O-CB 3.31Å; V600-H603 PolarHBondContact O-N 3.36Å; I601-H603 VanDerWaalsContact C-N 3.26Å; I601-H603 PolarHBondContact O-N 3.02Å; H603-I605 PolarHBondContact O-N 3.19Å; H603-T606 WeakPolarHBondContact O-CB 3.4Å; H603-T606 PolarHBondContact O-N 3.26Å; H603-H607 AromaticContact CD2-CD2 3.76Å; H603-H607 AromaticContact CD2-NE2 3.52Å; H603-H607 AromaticContact CE1-NE2 3.88Å; H603-H607 AromaticContact NE2-CD2 3.83Å; H603-H607 AromaticContact NE2-CE1 3.94Å; H603-H607 AromaticContact NE2-NE2 3.09Å; H603-H607 PolarHBondContact NE2-NE2 2.99Å; H603-H607 PolarHBondContact O-N 3.37Å; H603-E666 IonicContact CE1-OE2 2.72Å; H603-E666 PolarHBondContact CE1-OE2 3.15Å; H603-E666 VanDerWaalsContact CE1-OE2 3.24Å; H603-E666 IonicContact NE2-OE2 3.9Å; H603-E666 PolarHBondContact NE2-OE2 3.1Å; H603-E666 VanDerWaalsContact NE2-OE2 3.16Å; H603-A669 WeakPolarHBondContact CE1-CB 3.31Å; H603-A669 VanDerWaalsContact ND1-C 3.29Å; H603-A669 VanDerWaalsContact ND1-CB 3.34Å; H603-A669 WeakPolarHBondContact ND1-CB 3.38Å; H603-D670 IonicContact CE1-OD1 3.68Å; H603-D670 PolarHBondContact CE1-OD1 3.46Å; H603-D670 PolarHBondContact ND1-N 2.83Å; H603-D670 IonicContact ND1-OD1 2.68Å; H603-D670 PolarHBondContact ND1-OD1 2.7Å; H603-R737 PolarHBondContact CE1-NH2 3.24Å
604	E	98.7	Very high	98.1	Very high	10 Å²	10	8.3 Å²	8.3	5%	0.047	4%	0.04	C	C	.	.	H	α-helix	trans	-64.9	-35.1	178.2	-57.9	-48.3	147.7	0	0	113.6	A563 F564 Y565 I572 F574 V600 I601 T606 H607	A563-E604 VanDerWaalsContact C-OE1 3.29Å; A563-E604 HydrophobicContact CB-CG 3.78Å; A563-E604 WeakPolarHBondContact CB-OE1 3.47Å; F564-E604 WeakPolarHBondContact CA-OE2 3.38Å; F564-E604 PolarHBondContact N-OE2 2.94Å; Y565-E604 PolarHBondContact N-OE2 2.97Å; I572-E604 HydrophobicContact CB-CB 4.12Å; I572-E604 HydrophobicContact CG2-CB 3.69Å; F574-E604 HydrophobicContact CE1-CB 4.32Å; F574-E604 HydrophobicContact CE1-CG 3.7Å; F574-E604 HydrophobicContact CZ-CB 4.03Å; F574-E604 HydrophobicContact CZ-CG 3.9Å; V600-E604 WeakPolarHBondContact O-CG 3.31Å; V600-E604 PolarHBondContact O-N 2.97Å; I601-E604 PolarHBondContact O-N 3.44Å; E604-T606 VanDerWaalsContact C-N 3.31Å; E604-H607 PolarHBondContact O-N 3.48Å; E604-H607 IonicContact OE2-CD2 3.01Å
605	I	98.7	Very high	98	Very high	1 Å²	1	8.9 Å²	8.9	1%	0.005	4%	0.043	C	C	.	.	H	α-helix	trans	-64	-41.8	172.9	-70.8	167.9	0	0	0	110.1	I465 Q466 Y469 I494 I572 I601 G602 H603 H607 G608 F609	I465-I605 HydrophobicContact CG2-CD1 3.99Å; Q466-I605 HydrophobicContact CB-CD1 4.32Å; Y469-I605 HydrophobicContact CD1-CG2 4.49Å; Y469-I605 HydrophobicContact CD2-CG2 3.93Å; Y469-I605 HydrophobicContact CE2-CG2 4.42Å; Y469-I605 HydrophobicContact CG-CG2 4Å; I494-I605 HydrophobicContact CD1-CB 4.47Å; I494-I605 HydrophobicContact CD1-CG1 4.41Å; I494-I605 HydrophobicContact CD1-CG2 4.02Å; I572-I605 HydrophobicContact CD1-CG1 4.06Å; I601-I605 HydrophobicContact CG2-CD1 3.85Å; I601-I605 WeakPolarHBondContact O-CG1 3.35Å; I601-I605 PolarHBondContact O-N 3.33Å; G602-I605 PolarHBondContact O-N 3.44Å; H603-I605 PolarHBondContact O-N 3.19Å; I605-H607 VanDerWaalsContact C-N 3.31Å; I605-H607 PolarHBondContact O-N 2.91Å; I605-G608 PolarHBondContact O-N 3.14Å; I605-G608 VanDerWaalsContact O-N 3.08Å; I605-F609 VanDerWaalsContact O-CD2 3.3Å; I605-F609 WeakPolarHBondContact O-CD2 3.4Å
606	T	98.7	Very high	98	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-68.4	-29.1	-177.8	-56.2	0	0	0	0	112.4	G602 H603 E604 G608 F609 D610 I668 A669 Q676 W769	G602-T606 VanDerWaalsContact O-CB 3.29Å; G602-T606 WeakPolarHBondContact O-CB 3.12Å; G602-T606 PolarHBondContact O-N 3.1Å; G602-T606 PolarHBondContact O-OG1 2.5Å; H603-T606 WeakPolarHBondContact O-CB 3.4Å; H603-T606 PolarHBondContact O-N 3.26Å; E604-T606 VanDerWaalsContact C-N 3.31Å; T606-G608 PolarHBondContact O-N 3.23Å; T606-G608 VanDerWaalsContact O-N 3.17Å; T606-F609 CarbonylContact O-C 3.44Å; T606-F609 WeakPolarHBondContact O-CA 3.02Å; T606-F609 PolarHBondContact O-N 2.61Å; T606-D610 PolarHBondContact O-N 3.34Å; T606-I668 HydrophobicContact CG2-CG2 3.98Å; T606-A669 HydrophobicContact CG2-CB 4.41Å; T606-Q676 PolarHBondContact OG1-NE2 3.19Å; T606-Q676 PolarHBondContact OG1-OE1 3.37Å; T606-W769 HydrophobicContact CG2-CB 4.4Å; T606-W769 VanDerWaalsContact CG2-CD1 3.44Å; T606-W769 HydrophobicContact CG2-CG 4.1Å
607	H	98.6	Very high	98	Very high	19 Å²	19	10.2 Å²	10.2	9%	0.088	5%	0.05	C	C	.	.	H	α-helix	trans	-58	-25	170.1	-82.4	-50.7	0	0	0	113.5	Y565 H603 E604 I605 F609 D610 G613 E666	Y565-H607 HydrophobicContact CD1-CB 3.61Å; Y565-H607 HydrophobicContact CE1-CB 4.48Å; Y565-H607 HydrophobicContact CG-CB 3.72Å; H603-H607 AromaticContact CD2-CD2 3.76Å; H603-H607 AromaticContact CD2-NE2 3.52Å; H603-H607 AromaticContact CE1-NE2 3.88Å; H603-H607 AromaticContact NE2-CD2 3.83Å; H603-H607 AromaticContact NE2-CE1 3.94Å; H603-H607 AromaticContact NE2-NE2 3.09Å; H603-H607 PolarHBondContact NE2-NE2 2.99Å; H603-H607 PolarHBondContact O-N 3.37Å; E604-H607 PolarHBondContact O-N 3.48Å; E604-H607 IonicContact OE2-CD2 3.01Å; I605-H607 VanDerWaalsContact C-N 3.31Å; I605-H607 PolarHBondContact O-N 2.91Å; H607-F609 PolarHBondContact O-N 2.85Å; H607-D610 IonicContact CE1-OD2 3.46Å; H607-D610 IonicContact CG-OD2 3.62Å; H607-D610 IonicContact ND1-OD2 3.9Å; H607-D610 PolarHBondContact ND1-OD2 3.48Å; H607-G613 WeakPolarHBondContact O-CA 3.35Å; H607-E666 IonicContact CE1-OE1 3.26Å; H607-E666 PolarHBondContact CE1-OE1 2.92Å; H607-E666 VanDerWaalsContact CE1-OE1 3.24Å; H607-E666 IonicContact CE1-OE2 2.79Å; H607-E666 IonicContact NE2-OE1 3.24Å; H607-E666 IonicContact NE2-OE2 3.81Å
608	G	98	Very high	97.9	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-10.8	168.8	0	0	0	0	0	114.4	K490 Y565 I605 T606 G613	K490-G608 WeakPolarHBondContact CE-O 3Å; K490-G608 PolarHBondContact NZ-O 3.41Å; Y565-G608 WeakPolarHBondContact OH-CA 3.41Å; I605-G608 PolarHBondContact O-N 3.14Å; I605-G608 VanDerWaalsContact O-N 3.08Å; T606-G608 PolarHBondContact O-N 3.23Å; T606-G608 VanDerWaalsContact O-N 3.17Å; G608-G613 CarbonylContact O-C 3.54Å; G608-G613 VanDerWaalsContact O-C 3.27Å
609	F	98.3	Very high	97.8	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-141.4	9.7	-170.1	-52.8	-87.2	0	0	0	113.3	Y469 A487 K490 A491 I494 I605 T606 H607 W625 F634 W769	Y469-F609 HydrophobicContact CE1-CD2 4.05Å; Y469-F609 HydrophobicContact CE1-CE1 4.39Å; Y469-F609 AromaticContact CE1-CE2 3.64Å; Y469-F609 HydrophobicContact CE1-CE2 3.64Å; Y469-F609 AromaticContact CE1-CZ 3.84Å; Y469-F609 HydrophobicContact CE1-CZ 3.84Å; Y469-F609 HydrophobicContact CE2-CD2 4.05Å; Y469-F609 HydrophobicContact CE2-CE2 4.35Å; Y469-F609 AromaticContact CZ-CD2 3.45Å; Y469-F609 VanDerWaalsContact CZ-CD2 3.45Å; Y469-F609 AromaticContact CZ-CE2 3.55Å; Y469-F609 AromaticContact CZ-CG 3.87Å; Y469-F609 WeakPolarHBondContact OH-CB 3.5Å; Y469-F609 VanDerWaalsContact OH-CD1 3.31Å; Y469-F609 WeakPolarHBondContact OH-CD1 3.41Å; Y469-F609 WeakPolarHBondContact OH-CD2 3.32Å; Y469-F609 WeakPolarHBondContact OH-CE2 3.48Å; Y469-F609 WeakPolarHBondContact OH-CG 2.97Å; A487-F609 HydrophobicContact CB-CD1 4.44Å; A487-F609 HydrophobicContact CB-CE1 4.03Å; A487-F609 WeakPolarHBondContact O-CZ 3.5Å; K490-F609 HydrophobicContact CB-CE1 4.01Å; K490-F609 HydrophobicContact CB-CZ 4.05Å; K490-F609 HydrophobicContact CD-CD1 4.46Å; K490-F609 HydrophobicContact CD-CE1 3.82Å; K490-F609 HydrophobicContact CD-CZ 4.09Å; K490-F609 HydrophobicContact CG-CE1 4.01Å; K490-F609 HydrophobicContact CG-CZ 3.88Å; A491-F609 HydrophobicContact CB-CE2 4.17Å; A491-F609 HydrophobicContact CB-CZ 3.75Å; I494-F609 HydrophobicContact CD1-CE2 4.29Å; I605-F609 VanDerWaalsContact O-CD2 3.3Å; I605-F609 WeakPolarHBondContact O-CD2 3.4Å; T606-F609 CarbonylContact O-C 3.44Å; T606-F609 WeakPolarHBondContact O-CA 3.02Å; T606-F609 PolarHBondContact O-N 2.61Å; H607-F609 PolarHBondContact O-N 2.85Å; F609-W625 AromaticContact CD1-CH2 3.99Å; F609-W625 HydrophobicContact CD1-CH2 3.99Å; F609-W625 AromaticContact CE1-CH2 3.98Å; F609-W625 HydrophobicContact CE1-CH2 3.98Å; F609-F634 WeakPolarHBondContact O-CE2 3.4Å; F609-W769 HydrophobicContact CB-CD2 4.27Å; F609-W769 HydrophobicContact CB-CH2 4.02Å; F609-W769 HydrophobicContact CB-CZ2 3.42Å; F609-W769 VanDerWaalsContact CB-CZ2 3.42Å; F609-W769 HydrophobicContact CD1-CH2 4.44Å; F609-W769 HydrophobicContact CG-CZ2 4.4Å; F609-W769 VanDerWaalsContact O-CE2 3.26Å; F609-W769 WeakPolarHBondContact O-CZ2 3.44Å; F609-W769 PolarHBondContact O-NE1 3.44Å
610	D	97.9	Very high	97.7	Very high	11 Å²	11	18.1 Å²	18.1	6%	0.059	9%	0.088	C	C	.	.	S	Bend	trans	-70.5	-172.2	171.2	70.2	19.7	0	0	0	111.5	T606 H607 N612 G613 R614 I668	T606-D610 PolarHBondContact O-N 3.34Å; H607-D610 IonicContact CE1-OD2 3.46Å; H607-D610 IonicContact CG-OD2 3.62Å; H607-D610 IonicContact ND1-OD2 3.9Å; H607-D610 PolarHBondContact ND1-OD2 3.48Å; D610-N612 PolarHBondContact O-N 3.01Å; D610-N612 WeakPolarHBondContact OD1-CA 3.46Å; D610-N612 WeakPolarHBondContact OD1-CB 3.43Å; D610-N612 PolarHBondContact OD1-N 3.03Å; D610-G613 PolarHBondContact OD1-N 2.67Å; D610-R614 WeakPolarHBondContact O-CB 3.46Å; D610-R614 WeakPolarHBondContact O-CG 3.26Å; D610-R614 PolarHBondContact O-N 3.04Å; D610-R614 VanDerWaalsContact O-N 3.11Å; D610-I668 HydrophobicContact CB-CB 4.44Å; D610-I668 HydrophobicContact CB-CG2 4.24Å
611	D	95.6	Very high	97.6	Very high	23 Å²	23	19.2 Å²	19.2	12%	0.123	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-20.1	-177.6	59.7	-55.4	0	0	0	114.1	N615 F634 L664 G665	D611-N615 PolarHBondContact O-ND2 2.89Å; D611-F634 HydrophobicContact CB-CE1 4.15Å; D611-F634 HydrophobicContact CB-CZ 4.41Å; D611-L664 HydrophobicContact CB-CD2 4.2Å; D611-G665 WeakPolarHBondContact OD1-CA 3.42Å; D611-G665 PolarHBondContact OD1-N 2.98Å; D611-G665 VanDerWaalsContact OD1-N 3.15Å
612	N	95.5	Very high	97.5	Very high	43 Å²	43	20 Å²	20	23%	0.23	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-60.8	174.2	-174.1	-76.8	0	0	0	111.8	V318 D610 R614 N615	V318-N612 WeakPolarHBondContact CG1-ND2 3.42Å; D610-N612 PolarHBondContact O-N 3.01Å; D610-N612 WeakPolarHBondContact OD1-CA 3.46Å; D610-N612 WeakPolarHBondContact OD1-CB 3.43Å; D610-N612 PolarHBondContact OD1-N 3.03Å; N612-R614 VanDerWaalsContact C-N 3.27Å; N612-R614 PolarHBondContact O-N 2.81Å; N612-N615 WeakPolarHBondContact O-CB 3.23Å; N612-N615 PolarHBondContact O-N 3.36Å; N612-N615 PolarHBondContact O-ND2 3.01Å
613	G	97.1	Very high	97.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-63.6	-28.1	-172.1	0	0	0	0	0	113.5	K490 H607 G608 D610 N615 F616	K490-G613 PolarHBondContact NZ-O 3.14Å; H607-G613 WeakPolarHBondContact O-CA 3.35Å; G608-G613 CarbonylContact O-C 3.54Å; G608-G613 VanDerWaalsContact O-C 3.27Å; D610-G613 PolarHBondContact OD1-N 2.67Å; G613-N615 PolarHBondContact O-N 3.01Å; G613-F616 PolarHBondContact O-N 3.39Å
614	R	96.9	Very high	97	Very high	44 Å²	44	29.2 Å²	29.2	17%	0.166	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-57.9	-22.3	174	74.7	173.1	-177.9	63.6	15.3	113.4	D610 N612 F616 W625 W626	D610-R614 WeakPolarHBondContact O-CB 3.46Å; D610-R614 WeakPolarHBondContact O-CG 3.26Å; D610-R614 PolarHBondContact O-N 3.04Å; D610-R614 VanDerWaalsContact O-N 3.11Å; N612-R614 VanDerWaalsContact C-N 3.27Å; N612-R614 PolarHBondContact O-N 2.81Å; R614-F616 PolarHBondContact O-N 3.44Å; R614-W625 VanDerWaalsContact O-CZ2 3.25Å; R614-W625 WeakPolarHBondContact O-CZ2 3.48Å; R614-W625 PolarHBondContact O-NE1 3.23Å; R614-W626 HydrophobicContact CB-CZ2 3.99Å
615	N	97.2	Very high	96.9	Very high	12 Å²	12	30.4 Å²	30.4	6%	0.064	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-79.8	-7	-178.4	-57.3	-65.9	0	0	0	112.8	V318 T319 D611 N612 G613 M622 L623	V318-N615 HydrophobicContact CG2-CB 4.22Å; T319-N615 HydrophobicContact CG2-CB 4.17Å; D611-N615 PolarHBondContact O-ND2 2.89Å; N612-N615 WeakPolarHBondContact O-CB 3.23Å; N612-N615 PolarHBondContact O-N 3.36Å; N612-N615 PolarHBondContact O-ND2 3.01Å; G613-N615 PolarHBondContact O-N 3.01Å; N615-M622 HydrophobicContact CB-CG 4.38Å; N615-M622 CarbonylContact O-C 3.55Å; N615-M622 VanDerWaalsContact O-CA 3.23Å; N615-M622 WeakPolarHBondContact O-CA 3.45Å; N615-L623 PolarHBondContact O-N 2.91Å
616	F	98	Very high	96.6	Very high	4 Å²	4	31 Å²	31	2%	0.018	15%	0.153	C	C	.	.	B	Isolated β-bridge	trans	-106.1	137.3	179	-62.8	-95.9	0	0	0	110.2	D231 V318 K490 P567 G613 R614 G620 N621 M622 W625	D231-F616 HydrophobicContact CB-CE1 4.08Å; V318-F616 HydrophobicContact CG2-CE2 4.12Å; V318-F616 HydrophobicContact CG2-CZ 4.43Å; K490-F616 WeakPolarHBondContact CE-O 3.18Å; K490-F616 PolarHBondContact NZ-O 3.26Å; P567-F616 HydrophobicContact CB-CB 4.39Å; P567-F616 HydrophobicContact CB-CD1 4.12Å; P567-F616 HydrophobicContact CB-CD2 3.59Å; P567-F616 HydrophobicContact CB-CE1 4.3Å; P567-F616 HydrophobicContact CB-CE2 3.78Å; P567-F616 HydrophobicContact CB-CG 3.76Å; P567-F616 HydrophobicContact CB-CZ 4.13Å; P567-F616 HydrophobicContact CG-CE2 4.5Å; G613-F616 PolarHBondContact O-N 3.39Å; R614-F616 PolarHBondContact O-N 3.44Å; F616-G620 WeakPolarHBondContact CD1-O 3.3Å; F616-N621 CarbonylContact C-O 3.07Å; F616-N621 WeakPolarHBondContact CA-O 3.35Å; F616-M622 HydrophobicContact CD1-CB 4.07Å; F616-M622 HydrophobicContact CE1-CB 3.9Å; F616-M622 HydrophobicContact CZ-CB 4.41Å; F616-W625 VanDerWaalsContact C-NE1 3.28Å; F616-W625 PolarHBondContact O-NE1 3.25Å
617	D	97.2	Very high	96.5	Very high	24 Å²	24	32.7 Å²	32.7	13%	0.128	17%	0.165	C	C	.	.			trans	-77.1	-172.8	177.1	71.5	13.2	0	0	0	112.3	D619 G620 N621	D617-D619 PolarHBondContact O-N 3.01Å; D617-D619 WeakPolarHBondContact OD1-CA 3.33Å; D617-D619 PolarHBondContact OD1-N 3.24Å; D617-G620 PolarHBondContact O-N 3.47Å; D617-G620 PolarHBondContact OD1-N 2.91Å; D617-N621 PolarHBondContact N-O 2.91Å; D617-N621 PolarHBondContact OD1-N 3.01Å
618	K	97.2	Very high	96.4	Very high	81 Å²	81	37.4 Å²	37.4	35%	0.352	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-22	-180	69	171.5	-176.2	57.2	0	114.4	K490 A493 N570	K490-K618 HydrophobicContact CB-CB 4.22Å; A493-K618 HydrophobicContact CB-CB 3.86Å; N570-K618 PolarHBondContact ND2-O 3.37Å; N570-K618 VanDerWaalsContact ND2-O 3.08Å
619	D	96.3	Very high	96.3	Very high	86 Å²	86	42.8 Å²	42.8	46%	0.46	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-2.7	-178.1	-58.9	-48.5	0	0	0	111.1	S234 D617	S234-D619 PolarHBondContact OG-O 3.32Å; D617-D619 PolarHBondContact O-N 3.01Å; D617-D619 WeakPolarHBondContact OD1-CA 3.33Å; D617-D619 PolarHBondContact OD1-N 3.24Å
620	G	96.4	Very high	96.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.212	C	C	.	.	S	Bend	trans	87.9	16.7	179.2	0	0	0	0	0	114.3	P567 N568 F616 D617	P567-G620 VanDerWaalsContact O-CA 3.31Å; P567-G620 WeakPolarHBondContact O-CA 3.32Å; N568-G620 WeakPolarHBondContact CA-O 3.25Å; F616-G620 WeakPolarHBondContact CD1-O 3.3Å; D617-G620 PolarHBondContact O-N 3.47Å; D617-G620 PolarHBondContact OD1-N 2.91Å
621	N	97.7	Very high	96.3	Very high	34 Å²	34	43.2 Å²	43.2	18%	0.182	22%	0.218	C	C	.	.			trans	-93.5	132.8	174.7	-50.6	-62.7	0	0	0	110.4	D231 S234 F616 D617 L623	D231-N621 CarbonylContact O-C 3.38Å; S234-N621 WeakPolarHBondContact CB-OD1 3.41Å; S234-N621 PolarHBondContact N-OD1 2.9Å; S234-N621 PolarHBondContact OG-OD1 3.43Å; F616-N621 CarbonylContact C-O 3.07Å; F616-N621 WeakPolarHBondContact CA-O 3.35Å; D617-N621 PolarHBondContact N-O 2.91Å; D617-N621 PolarHBondContact OD1-N 3.01Å; N621-L623 PolarHBondContact O-N 2.87Å
622	M	97.1	Very high	96.3	Very high	16 Å²	16	46.8 Å²	46.8	8%	0.079	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-67.3	102.8	173.7	-172.3	-179.1	60	0	0	109.2	D231 R232 V318 T319 Y322 N615 F616	D231-M622 HydrophobicContact CB-CB 4.02Å; D231-M622 HydrophobicContact CB-CE 4.21Å; D231-M622 HydrophobicContact CB-SD 4.47Å; D231-M622 VanDerWaalsContact O-CB 3.23Å; D231-M622 WeakPolarHBondContact O-CB 3.48Å; D231-M622 PolarHBondContact O-N 2.93Å; R232-M622 HydrophobicContact CG-CB 4.5Å; R232-M622 HydrophobicContact CG-CE 3.8Å; V318-M622 HydrophobicContact CB-SD 4.32Å; V318-M622 HydrophobicContact CG2-SD 3.95Å; T319-M622 HydrophobicContact CG2-CG 4.45Å; T319-M622 HydrophobicContact CG2-SD 3.97Å; Y322-M622 HydrophobicContact CD1-CE 4.15Å; Y322-M622 HydrophobicContact CD2-CE 3.88Å; Y322-M622 HydrophobicContact CG-CE 3.62Å; N615-M622 HydrophobicContact CB-CG 4.38Å; N615-M622 CarbonylContact O-C 3.55Å; N615-M622 VanDerWaalsContact O-CA 3.23Å; N615-M622 WeakPolarHBondContact O-CA 3.45Å; F616-M622 HydrophobicContact CD1-CB 4.07Å; F616-M622 HydrophobicContact CE1-CB 3.9Å; F616-M622 HydrophobicContact CZ-CB 4.41Å
623	L	94.4	Very high	96.4	Very high	99 Å²	99	46.9 Å²	46.9	52%	0.518	24%	0.235	S	C	.	.			trans	-144.5	138.5	-173.9	180	66.9	0	0	0	108.3	N615 N621 W625	N615-L623 PolarHBondContact O-N 2.91Å; N621-L623 PolarHBondContact O-N 2.87Å; L623-W625 PolarHBondContact O-N 3.17Å; L623-W625 VanDerWaalsContact O-N 3.1Å
624	N	92.4	Very high	96.5	Very high	107 Å²	107	47 Å²	47	57%	0.572	24%	0.236	S	C	*	.			trans	-77.2	100.3	169.4	-173.3	10.2	0	0	0	109.8	W626	N624-W626 PolarHBondContact OD1-N 2.96Å; N624-W626 PolarHBondContact OD1-O 2.76Å
625	W	95	Very high	96.4	Very high	34 Å²	34	52 Å²	52	13%	0.129	26%	0.259	C	S	.	.			trans	-105	8.1	178.1	53.2	-93.5	0	0	0	113.5	K486 A487 K490 F609 R614 F616 L623	K486-W625 HydrophobicContact CB-CD2 4.41Å; K486-W625 HydrophobicContact CB-CE3 3.4Å; K486-W625 VanDerWaalsContact CB-CE3 3.4Å; K486-W625 HydrophobicContact CB-CZ3 3.84Å; K486-W625 HydrophobicContact CG-CE3 4.42Å; A487-W625 HydrophobicContact CB-CH2 4.36Å; A487-W625 HydrophobicContact CB-CZ3 4.12Å; K490-W625 HydrophobicContact CD-CH2 4.18Å; K490-W625 HydrophobicContact CD-CZ2 3.74Å; F609-W625 AromaticContact CD1-CH2 3.99Å; F609-W625 HydrophobicContact CD1-CH2 3.99Å; F609-W625 AromaticContact CE1-CH2 3.98Å; F609-W625 HydrophobicContact CE1-CH2 3.98Å; R614-W625 VanDerWaalsContact O-CZ2 3.25Å; R614-W625 WeakPolarHBondContact O-CZ2 3.48Å; R614-W625 PolarHBondContact O-NE1 3.23Å; F616-W625 VanDerWaalsContact C-NE1 3.28Å; F616-W625 PolarHBondContact O-NE1 3.25Å; L623-W625 PolarHBondContact O-N 3.17Å; L623-W625 VanDerWaalsContact O-N 3.1Å
626	W	93.9	Very high	96.4	Very high	14 Å²	14	57.1 Å²	57.1	5%	0.053	28%	0.282	C	S	.	.	S	Bend	trans	-103.4	152.1	177.6	-70.7	49.8	0	0	0	110.5	W478 M479 R614 N624 A631 F634 W769	W478-W626 AromaticContact CH2-CH2 3.81Å; W478-W626 HydrophobicContact CH2-CH2 3.81Å; W478-W626 AromaticContact CH2-CZ3 3.92Å; W478-W626 HydrophobicContact CH2-CZ3 3.92Å; W478-W626 HydrophobicContact CZ3-CH2 4.01Å; W478-W626 AromaticContact CZ3-CZ3 3.61Å; W478-W626 HydrophobicContact CZ3-CZ3 3.61Å; M479-W626 HydrophobicContact CE-CD2 4.01Å; M479-W626 HydrophobicContact CE-CE3 4.03Å; M479-W626 HydrophobicContact CE-CH2 3.66Å; M479-W626 HydrophobicContact CE-CZ2 3.6Å; M479-W626 HydrophobicContact CE-CZ3 3.87Å; R614-W626 HydrophobicContact CB-CZ2 3.99Å; N624-W626 PolarHBondContact OD1-N 2.96Å; N624-W626 PolarHBondContact OD1-O 2.76Å; W626-A631 HydrophobicContact CB-CB 4.46Å; W626-F634 HydrophobicContact CH2-CB 4.34Å; W626-F634 AromaticContact CH2-CD2 3.78Å; W626-F634 HydrophobicContact CH2-CD2 3.78Å; W626-F634 HydrophobicContact CH2-CE2 4.48Å; W626-F634 HydrophobicContact CH2-CG 4.29Å; W626-F634 HydrophobicContact CZ3-CB 3.75Å; W626-F634 HydrophobicContact CZ3-CD2 4.07Å; W626-F634 HydrophobicContact CZ3-CG 4.16Å; W626-W769 AromaticContact CH2-CH2 3.42Å; W626-W769 HydrophobicContact CH2-CH2 3.42Å; W626-W769 VanDerWaalsContact CH2-CH2 3.42Å; W626-W769 AromaticContact CH2-CZ2 3.67Å; W626-W769 HydrophobicContact CH2-CZ2 3.67Å; W626-W769 AromaticContact CZ2-CH2 3.69Å; W626-W769 HydrophobicContact CZ2-CH2 3.69Å; W626-W769 AromaticContact CZ2-CZ2 3.99Å; W626-W769 HydrophobicContact CZ2-CZ2 3.99Å
627	S	96.3	Very high	96.4	Very high	36 Å²	36	59.7 Å²	59.7	25%	0.252	30%	0.295	S	S	.	.			trans	-70	155.7	163.6	77.1	0	0	0	0	110.5	D480 S483 Y629 S630 A631	D480-S627 WeakPolarHBondContact OD2-CB 3.5Å; D480-S627 PolarHBondContact OD2-OG 3.29Å; S483-S627 PolarHBondContact OG-N 2.83Å; S627-Y629 PolarHBondContact O-N 3.45Å; S627-Y629 PolarHBondContact OG-N 3.37Å; S627-S630 PolarHBondContact O-N 3.08Å; S627-S630 PolarHBondContact OG-N 3.06Å; S627-S630 VanDerWaalsContact OG-N 3.08Å; S627-S630 PolarHBondContact OG-OG 3.41Å; S627-A631 WeakPolarHBondContact O-CB 3.26Å; S627-A631 PolarHBondContact O-N 2.88Å
628	N	96.1	Very high	96.5	Very high	118 Å²	118	58.8 Å²	58.8	63%	0.631	29%	0.29	S	S	*	.	H	α-helix	trans	-57.6	-37.2	172.6	-67	-4.4	0	0	0	111.4	A631 D632	N628-A631 PolarHBondContact O-N 3.33Å; N628-D632 WeakPolarHBondContact O-CB 3.49Å; N628-D632 VanDerWaalsContact O-CG 3.25Å; N628-D632 PolarHBondContact O-N 3.4Å
629	Y	96.9	Very high	96.5	Very high	112 Å²	112	59.1 Å²	59.1	44%	0.439	29%	0.293	S	S	.	.	H	α-helix	trans	-56.2	-55.4	176.4	174.6	-93.9	0	0	0	111.2	D480 S627 A631 D632 H633	D480-Y629 HydrophobicContact CB-CD1 4.1Å; D480-Y629 HydrophobicContact CB-CE1 4.49Å; S627-Y629 PolarHBondContact O-N 3.45Å; S627-Y629 PolarHBondContact OG-N 3.37Å; Y629-A631 VanDerWaalsContact C-N 3.34Å; Y629-A631 PolarHBondContact O-N 3.44Å; Y629-D632 PolarHBondContact O-N 2.74Å; Y629-H633 AromaticContact CD2-CE1 3.4Å; Y629-H633 VanDerWaalsContact CD2-CE1 3.4Å; Y629-H633 WeakPolarHBondContact CD2-CE1 2.99Å; Y629-H633 AromaticContact CD2-ND1 3.75Å; Y629-H633 AromaticContact CE2-CE1 3.03Å; Y629-H633 WeakPolarHBondContact CE2-CE1 3.48Å; Y629-H633 AromaticContact CE2-ND1 3.65Å; Y629-H633 AromaticContact CE2-NE2 3.43Å; Y629-H633 WeakPolarHBondContact CE2-NE2 3.28Å; Y629-H633 AromaticContact CZ-CE1 3.53Å; Y629-H633 AromaticContact CZ-ND1 3.88Å; Y629-H633 AromaticContact CZ-NE2 3.59Å; Y629-H633 PolarHBondContact O-N 2.75Å; Y629-H633 VanDerWaalsContact O-N 3.08Å; Y629-H633 PolarHBondContact O-ND1 2.77Å; Y629-H633 PolarHBondContact OH-NE2 3.06Å
630	S	97.9	Very high	96.6	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-65.9	-36.6	-179	-60.1	0	0	0	0	112.2	D480 S483 S627 F634	D480-S630 VanDerWaalsContact CG-OG 3.31Å; D480-S630 PolarHBondContact N-OG 3.46Å; D480-S630 VanDerWaalsContact N-OG 3.08Å; D480-S630 PolarHBondContact OD1-OG 3.21Å; S483-S630 WeakPolarHBondContact CB-OG 3.36Å; S483-S630 WeakPolarHBondContact OG-CB 3.38Å; S483-S630 PolarHBondContact OG-OG 3.42Å; S627-S630 PolarHBondContact O-N 3.08Å; S627-S630 PolarHBondContact OG-N 3.06Å; S627-S630 VanDerWaalsContact OG-N 3.08Å; S627-S630 PolarHBondContact OG-OG 3.41Å; S630-F634 WeakPolarHBondContact O-CB 3.31Å; S630-F634 PolarHBondContact O-N 3.3Å
631	A	96.3	Very high	96.7	Very high	21 Å²	21	57 Å²	57	17%	0.174	29%	0.285	C	S	.	.	H	α-helix	trans	-66.9	-43.7	179.3	0	0	0	0	0	112.3	W626 S627 N628 Y629 F634 K635	W626-A631 HydrophobicContact CB-CB 4.46Å; S627-A631 WeakPolarHBondContact O-CB 3.26Å; S627-A631 PolarHBondContact O-N 2.88Å; N628-A631 PolarHBondContact O-N 3.33Å; Y629-A631 VanDerWaalsContact C-N 3.34Å; Y629-A631 PolarHBondContact O-N 3.44Å; A631-F634 PolarHBondContact O-N 2.94Å; A631-K635 PolarHBondContact O-N 3.39Å
632	D	96.9	Very high	96.7	Very high	98 Å²	98	56.5 Å²	56.5	52%	0.524	28%	0.283	S	S	.	.	H	α-helix	trans	-64.4	-44.6	176.4	-70.5	-23.6	0	0	0	110.6	N628 Y629 F634 K635 E636	N628-D632 WeakPolarHBondContact O-CB 3.49Å; N628-D632 VanDerWaalsContact O-CG 3.25Å; N628-D632 PolarHBondContact O-N 3.4Å; Y629-D632 PolarHBondContact O-N 2.74Å; D632-F634 PolarHBondContact O-N 3.29Å; D632-K635 VanDerWaalsContact O-CB 3.31Å; D632-K635 WeakPolarHBondContact O-CB 3.03Å; D632-K635 PolarHBondContact O-N 2.95Å; D632-K635 VanDerWaalsContact O-N 3.12Å; D632-E636 WeakPolarHBondContact O-CG 3.48Å; D632-E636 PolarHBondContact O-N 2.74Å
633	H	97.7	Very high	96.8	Very high	44 Å²	44	61.3 Å²	61.3	20%	0.204	31%	0.305	C	S	.	.	H	α-helix	trans	-68.3	-33.6	179	-73.2	69.2	0	0	0	112.7	W478 Y629 K635 E636 Q637	W478-H633 HydrophobicContact CB-CB 4.15Å; W478-H633 HydrophobicContact CE3-CB 4.27Å; W478-H633 WeakPolarHBondContact O-CB 3.48Å; Y629-H633 AromaticContact CD2-CE1 3.4Å; Y629-H633 VanDerWaalsContact CD2-CE1 3.4Å; Y629-H633 WeakPolarHBondContact CD2-CE1 2.99Å; Y629-H633 AromaticContact CD2-ND1 3.75Å; Y629-H633 AromaticContact CE2-CE1 3.03Å; Y629-H633 WeakPolarHBondContact CE2-CE1 3.48Å; Y629-H633 AromaticContact CE2-ND1 3.65Å; Y629-H633 AromaticContact CE2-NE2 3.43Å; Y629-H633 WeakPolarHBondContact CE2-NE2 3.28Å; Y629-H633 AromaticContact CZ-CE1 3.53Å; Y629-H633 AromaticContact CZ-ND1 3.88Å; Y629-H633 AromaticContact CZ-NE2 3.59Å; Y629-H633 PolarHBondContact O-N 2.75Å; Y629-H633 VanDerWaalsContact O-N 3.08Å; Y629-H633 PolarHBondContact O-ND1 2.77Å; Y629-H633 PolarHBondContact OH-NE2 3.06Å; H633-K635 VanDerWaalsContact C-N 3.28Å; H633-K635 PolarHBondContact O-N 3.35Å; H633-E636 IonicContact CD2-OE2 2.96Å; H633-E636 WeakPolarHBondContact O-CB 3.43Å; H633-E636 PolarHBondContact O-N 2.89Å; H633-Q637 WeakPolarHBondContact O-CG 3.39Å; H633-Q637 PolarHBondContact O-N 3.38Å
634	F	98.2	Very high	97	Very high	4 Å²	4	57.8 Å²	57.8	2%	0.018	29%	0.286	C	S	.	.	H	α-helix	trans	-58.8	-44	170.1	175.1	-85.9	0	0	0	111.2	W478 F609 D611 W626 S630 A631 D632 E636 Q637 S638 I668 V768 W769	W478-F634 HydrophobicContact CH2-CB 4.38Å; W478-F634 AromaticContact CH2-CD2 3.97Å; W478-F634 HydrophobicContact CH2-CD2 3.97Å; W478-F634 HydrophobicContact CZ3-CB 3.96Å; W478-F634 HydrophobicContact CZ3-CD2 4.4Å; F609-F634 WeakPolarHBondContact O-CE2 3.4Å; D611-F634 HydrophobicContact CB-CE1 4.15Å; D611-F634 HydrophobicContact CB-CZ 4.41Å; W626-F634 HydrophobicContact CH2-CB 4.34Å; W626-F634 AromaticContact CH2-CD2 3.78Å; W626-F634 HydrophobicContact CH2-CD2 3.78Å; W626-F634 HydrophobicContact CH2-CE2 4.48Å; W626-F634 HydrophobicContact CH2-CG 4.29Å; W626-F634 HydrophobicContact CZ3-CB 3.75Å; W626-F634 HydrophobicContact CZ3-CD2 4.07Å; W626-F634 HydrophobicContact CZ3-CG 4.16Å; S630-F634 WeakPolarHBondContact O-CB 3.31Å; S630-F634 PolarHBondContact O-N 3.3Å; A631-F634 PolarHBondContact O-N 2.94Å; D632-F634 PolarHBondContact O-N 3.29Å; F634-E636 VanDerWaalsContact C-N 3.31Å; F634-E636 PolarHBondContact O-N 3.25Å; F634-Q637 PolarHBondContact O-N 3.46Å; F634-S638 WeakPolarHBondContact O-CB 3.24Å; F634-S638 PolarHBondContact O-N 3.3Å; F634-S638 PolarHBondContact O-OG 2.8Å; F634-I668 HydrophobicContact CZ-CD1 4.01Å; F634-V768 HydrophobicContact CD2-CG1 3.76Å; F634-V768 HydrophobicContact CE2-CG1 3.57Å; F634-V768 HydrophobicContact CZ-CG1 4.48Å; F634-W769 HydrophobicContact CD2-CZ2 4.02Å; F634-W769 AromaticContact CE2-CZ2 3.81Å; F634-W769 HydrophobicContact CE2-CZ2 3.81Å; F634-W769 AromaticContact CE2-NE1 3.95Å
635	K	96.4	Very high	97.3	Very high	147 Å²	147	52.7 Å²	52.7	64%	0.639	26%	0.259	S	S	*	.	H	α-helix	trans	-61.9	-41.2	177	-143.9	173.8	-173.1	173.3	0	111.2	A631 D632 H633 S638 Q639	A631-K635 PolarHBondContact O-N 3.39Å; D632-K635 VanDerWaalsContact O-CB 3.31Å; D632-K635 WeakPolarHBondContact O-CB 3.03Å; D632-K635 PolarHBondContact O-N 2.95Å; D632-K635 VanDerWaalsContact O-N 3.12Å; H633-K635 VanDerWaalsContact C-N 3.28Å; H633-K635 PolarHBondContact O-N 3.35Å; K635-S638 WeakPolarHBondContact CA-OG 3.49Å; K635-S638 PolarHBondContact O-OG 3.44Å; K635-S638 VanDerWaalsContact O-OG 3.1Å; K635-Q639 VanDerWaalsContact O-CB 3.23Å; K635-Q639 WeakPolarHBondContact O-CB 3.03Å; K635-Q639 PolarHBondContact O-N 3.46Å
636	E	96.8	Very high	97.5	Very high	120 Å²	120	52 Å²	52	56%	0.561	26%	0.262	S	S	*	.	H	α-helix	trans	-61.7	-46.9	173.8	-68	175.8	179.1	0	0	112.8	D632 H633 F634	D632-E636 WeakPolarHBondContact O-CG 3.48Å; D632-E636 PolarHBondContact O-N 2.74Å; H633-E636 IonicContact CD2-OE2 2.96Å; H633-E636 WeakPolarHBondContact O-CB 3.43Å; H633-E636 PolarHBondContact O-N 2.89Å; F634-E636 VanDerWaalsContact C-N 3.31Å; F634-E636 PolarHBondContact O-N 3.25Å
637	Q	97.8	Very high	97.6	Very high	58 Å²	58	57.2 Å²	57.2	27%	0.271	29%	0.291	S	S	.	.	H	α-helix	trans	-65.8	-46.6	179.5	-63.8	-45.9	-41.5	0	0	112	W478 H633 F634 Q639 C640 R767 V768	W478-Q637 HydrophobicContact CB-CG 4.2Å; W478-Q637 HydrophobicContact CD2-CG 4.08Å; W478-Q637 HydrophobicContact CG-CG 3.77Å; H633-Q637 WeakPolarHBondContact O-CG 3.39Å; H633-Q637 PolarHBondContact O-N 3.38Å; F634-Q637 PolarHBondContact O-N 3.46Å; Q637-Q639 VanDerWaalsContact C-N 3.3Å; Q637-Q639 PolarHBondContact O-N 3.42Å; Q637-C640 VanDerWaalsContact O-CB 3.24Å; Q637-C640 WeakPolarHBondContact O-CB 2.93Å; Q637-C640 PolarHBondContact O-N 2.68Å; Q637-R767 PolarHBondContact OE1-O 3.2Å; Q637-V768 HydrophobicContact CB-CG2 4.01Å
638	S	98	Very high	97.7	Very high	6 Å²	6	56.7 Å²	56.7	4%	0.042	28%	0.284	C	S	.	.	H	α-helix	trans	-66.2	-31.2	-179.8	54.4	0	0	0	0	112.5	F634 K635 C640 M641 V642	F634-S638 WeakPolarHBondContact O-CB 3.24Å; F634-S638 PolarHBondContact O-N 3.3Å; F634-S638 PolarHBondContact O-OG 2.8Å; K635-S638 WeakPolarHBondContact CA-OG 3.49Å; K635-S638 PolarHBondContact O-OG 3.44Å; K635-S638 VanDerWaalsContact O-OG 3.1Å; S638-C640 PolarHBondContact O-N 2.78Å; S638-M641 PolarHBondContact O-N 3.19Å; S638-V642 PolarHBondContact O-N 2.8Å; S638-V642 VanDerWaalsContact O-N 3.12Å
639	Q	98.3	Very high	97.8	Very high	87 Å²	87	55.3 Å²	55.3	41%	0.407	28%	0.276	S	S	.	.	H	α-helix	trans	-59.1	-28.5	175.3	-174.2	59.6	63.3	0	0	112.9	K635 Q637 V642 Q643	K635-Q639 VanDerWaalsContact O-CB 3.23Å; K635-Q639 WeakPolarHBondContact O-CB 3.03Å; K635-Q639 PolarHBondContact O-N 3.46Å; Q637-Q639 VanDerWaalsContact C-N 3.3Å; Q637-Q639 PolarHBondContact O-N 3.42Å; Q639-V642 PolarHBondContact O-N 2.87Å; Q639-Q643 WeakPolarHBondContact O-CG 3.29Å; Q639-Q643 PolarHBondContact O-N 3.39Å; Q639-Q643 VanDerWaalsContact O-N 3.09Å
640	C	98.4	Very high	97.8	Very high	42 Å²	42	50.4 Å²	50.4	28%	0.284	26%	0.257	S	S	.	.	H	α-helix	trans	-59.6	-47.1	171.9	-174.6	0	0	0	0	111.1	Q637 S638 Q643 Q644 C766	Q637-C640 VanDerWaalsContact O-CB 3.24Å; Q637-C640 WeakPolarHBondContact O-CB 2.93Å; Q637-C640 PolarHBondContact O-N 2.68Å; S638-C640 PolarHBondContact O-N 2.78Å; C640-Q643 PolarHBondContact O-N 3.34Å; C640-Q644 WeakPolarHBondContact O-CB 3.15Å; C640-Q644 PolarHBondContact O-N 3.14Å; C640-C766 HydrophobicContact CB-CB 3.7Å; C640-C766 WeakPolarHBondContact CB-SG 3.45Å; C640-C766 PolarHBondContact O-SG 2.85Å; C640-C766 VanDerWaalsContact O-SG 3.35Å; C640-C766 WeakPolarHBondContact SG-CA 3.46Å; C640-C766 WeakPolarHBondContact SG-CB 3.39Å; C640-C766 CovalentContact SG-SG 2.05Å; C640-C766 PolarHBondContact SG-SG 2.76Å
641	M	98.6	Very high	97.6	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-68.3	-37.6	179.6	-66.4	-175.9	-178.7	0	0	111.7	S638 Q643 Q644 Y645 L664 I668 N671 C766 V768	S638-M641 PolarHBondContact O-N 3.19Å; M641-Q643 VanDerWaalsContact C-N 3.26Å; M641-Q643 PolarHBondContact O-N 3.27Å; M641-Q644 PolarHBondContact O-N 3.25Å; M641-Y645 HydrophobicContact CB-CD2 4.34Å; M641-Y645 WeakPolarHBondContact O-CB 3.39Å; M641-Y645 WeakPolarHBondContact O-CD2 3.49Å; M641-Y645 PolarHBondContact O-N 3.46Å; M641-L664 HydrophobicContact CB-CD1 4.03Å; M641-I668 HydrophobicContact SD-CG1 3.85Å; M641-N671 HydrophobicContact CE-CB 3.54Å; M641-N671 HydrophobicContact SD-CB 4.39Å; M641-C766 HydrophobicContact CE-CB 4.17Å; M641-C766 HydrophobicContact CG-CB 3.62Å; M641-V768 HydrophobicContact CE-CG2 4.12Å; M641-V768 HydrophobicContact SD-CG2 4.28Å
642	V	98.4	Very high	97.5	Very high	22 Å²	22	59.1 Å²	59.1	13%	0.133	30%	0.3	C	S	.	.	H	α-helix	trans	-54.9	-45.7	172.2	175.7	0	0	0	0	110.8	S638 Q639 G646 I661 L664	S638-V642 PolarHBondContact O-N 2.8Å; S638-V642 VanDerWaalsContact O-N 3.12Å; Q639-V642 PolarHBondContact O-N 2.87Å; V642-G646 WeakPolarHBondContact O-CA 3.48Å; V642-G646 PolarHBondContact O-N 3.48Å; V642-I661 HydrophobicContact CG1-CG1 3.77Å; V642-L664 HydrophobicContact CG2-CD1 3.71Å; V642-L664 HydrophobicContact CG2-CD2 3.74Å; V642-L664 HydrophobicContact CG2-CG 4.2Å
643	Q	98.4	Very high	97.4	Very high	118 Å²	118	54.5 Å²	54.5	55%	0.551	28%	0.275	S	S	*	.	H	α-helix	trans	-70.8	-44.5	179.4	-69.1	172.8	11.7	0	0	112	Q639 C640 M641 G646 N647	Q639-Q643 WeakPolarHBondContact O-CG 3.29Å; Q639-Q643 PolarHBondContact O-N 3.39Å; Q639-Q643 VanDerWaalsContact O-N 3.09Å; C640-Q643 PolarHBondContact O-N 3.34Å; M641-Q643 VanDerWaalsContact C-N 3.26Å; M641-Q643 PolarHBondContact O-N 3.27Å; Q643-G646 PolarHBondContact O-N 2.68Å; Q643-N647 VanDerWaalsContact O-CG 3.23Å; Q643-N647 PolarHBondContact O-N 3.01Å; Q643-N647 PolarHBondContact O-ND2 2.76Å
644	Q	98.6	Very high	97.1	Very high	25 Å²	25	55.7 Å²	55.7	12%	0.117	30%	0.3	C	S	.	.	H	α-helix	trans	-58.4	-56.5	179.4	-177.7	-169.1	13.5	0	0	111	C640 M641 G646 N647 F648 G740 N744	C640-Q644 WeakPolarHBondContact O-CB 3.15Å; C640-Q644 PolarHBondContact O-N 3.14Å; M641-Q644 PolarHBondContact O-N 3.25Å; Q644-G646 VanDerWaalsContact C-N 3.34Å; Q644-G646 PolarHBondContact O-N 3.33Å; Q644-N647 WeakPolarHBondContact O-CB 3.44Å; Q644-N647 PolarHBondContact O-N 3.01Å; Q644-N647 VanDerWaalsContact O-N 3.15Å; Q644-F648 HydrophobicContact CG-CZ 4.43Å; Q644-G740 PolarHBondContact NE2-O 3.43Å; Q644-N744 PolarHBondContact NE2-ND2 2.88Å; Q644-N744 PolarHBondContact NE2-OD1 3.07Å; Q644-N744 PolarHBondContact OE1-ND2 3.14Å; Q644-N744 PolarHBondContact OE1-OD1 3.1Å
645	Y	98.6	Very high	96.8	Very high	0 Å²	0	57 Å²	57	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-70.7	-33.6	-177.4	-77.1	-95.2	0	0	0	111.9	M641 N647 F648 N667 N671 S732 Y736 S741	M641-Y645 HydrophobicContact CB-CD2 4.34Å; M641-Y645 WeakPolarHBondContact O-CB 3.39Å; M641-Y645 WeakPolarHBondContact O-CD2 3.49Å; M641-Y645 PolarHBondContact O-N 3.46Å; Y645-N647 PolarHBondContact O-N 2.94Å; Y645-N647 VanDerWaalsContact O-N 3.11Å; Y645-F648 AromaticContact CD1-CD2 3.74Å; Y645-F648 HydrophobicContact CD1-CD2 3.74Å; Y645-F648 AromaticContact CD1-CE2 3.65Å; Y645-F648 HydrophobicContact CD1-CE2 3.65Å; Y645-F648 HydrophobicContact CE1-CD2 4.4Å; Y645-F648 AromaticContact CE1-CE2 3.96Å; Y645-F648 HydrophobicContact CE1-CE2 3.96Å; Y645-F648 HydrophobicContact CG-CD2 4.14Å; Y645-F648 AromaticContact CG-CE2 4Å; Y645-F648 HydrophobicContact CG-CE2 4Å; Y645-F648 PolarHBondContact O-N 3.06Å; Y645-N667 WeakPolarHBondContact CD1-ND2 3.43Å; Y645-N667 WeakPolarHBondContact CD1-OD1 3.35Å; Y645-N667 HydrophobicContact CD2-CB 3.99Å; Y645-N667 WeakPolarHBondContact CD2-ND2 3.43Å; Y645-N667 HydrophobicContact CE1-CB 4.34Å; Y645-N667 VanDerWaalsContact CE1-OD1 3.24Å; Y645-N667 WeakPolarHBondContact CE1-OD1 3.48Å; Y645-N667 HydrophobicContact CE2-CB 3.66Å; Y645-N667 HydrophobicContact CG-CB 4.43Å; Y645-N671 PolarHBondContact OH-ND2 3.11Å; Y645-S732 VanDerWaalsContact CD1-OG 3.23Å; Y645-S732 WeakPolarHBondContact CD1-OG 3.42Å; Y645-Y736 WeakPolarHBondContact CE1-O 3.41Å; Y645-S741 PolarHBondContact OH-N 3.17Å
646	G	98.1	Very high	96.7	Very high	20 Å²	20	52.4 Å²	52.4	21%	0.206	30%	0.295	C	S	.	.	H	α-helix	trans	-58.9	-18.9	171.2	0	0	0	0	0	114.6	V642 Q643 Q644 N657 V658	V642-G646 WeakPolarHBondContact O-CA 3.48Å; V642-G646 PolarHBondContact O-N 3.48Å; Q643-G646 PolarHBondContact O-N 2.68Å; Q644-G646 VanDerWaalsContact C-N 3.34Å; Q644-G646 PolarHBondContact O-N 3.33Å; G646-N657 WeakPolarHBondContact O-CB 3.23Å; G646-N657 PolarHBondContact O-ND2 2.97Å; G646-V658 WeakPolarHBondContact CA-O 3.15Å
647	N	97.9	Very high	96.7	Very high	122 Å²	122	50.6 Å²	50.6	65%	0.652	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-7.8	177.2	-72	-32.9	0	0	0	113.7	Q643 Q644 Y645 I649	Q643-N647 VanDerWaalsContact O-CG 3.23Å; Q643-N647 PolarHBondContact O-N 3.01Å; Q643-N647 PolarHBondContact O-ND2 2.76Å; Q644-N647 WeakPolarHBondContact O-CB 3.44Å; Q644-N647 PolarHBondContact O-N 3.01Å; Q644-N647 VanDerWaalsContact O-N 3.15Å; Y645-N647 PolarHBondContact O-N 2.94Å; Y645-N647 VanDerWaalsContact O-N 3.11Å; N647-I649 PolarHBondContact O-N 3.27Å
648	F	98.3	Very high	96.7	Very high	25 Å²	25	48 Å²	48	11%	0.11	28%	0.278	C	S	.	.			trans	-74.7	118.1	176.1	-68.8	-47.9	0	0	0	110.9	Q644 Y645 N657 V658 Y736	Q644-F648 HydrophobicContact CG-CZ 4.43Å; Y645-F648 AromaticContact CD1-CD2 3.74Å; Y645-F648 HydrophobicContact CD1-CD2 3.74Å; Y645-F648 AromaticContact CD1-CE2 3.65Å; Y645-F648 HydrophobicContact CD1-CE2 3.65Å; Y645-F648 HydrophobicContact CE1-CD2 4.4Å; Y645-F648 AromaticContact CE1-CE2 3.96Å; Y645-F648 HydrophobicContact CE1-CE2 3.96Å; Y645-F648 HydrophobicContact CG-CD2 4.14Å; Y645-F648 AromaticContact CG-CE2 4Å; Y645-F648 HydrophobicContact CG-CE2 4Å; Y645-F648 PolarHBondContact O-N 3.06Å; F648-N657 CarbonylContact O-C 3.51Å; F648-N657 VanDerWaalsContact O-CA 3.28Å; F648-N657 WeakPolarHBondContact O-CA 3.38Å; F648-V658 HydrophobicContact CB-CB 4.45Å; F648-V658 HydrophobicContact CB-CG2 4.09Å; F648-V658 PolarHBondContact O-N 3.15Å; F648-Y736 HydrophobicContact CB-CD1 3.74Å; F648-Y736 HydrophobicContact CB-CD2 4.08Å; F648-Y736 HydrophobicContact CB-CE1 3.77Å; F648-Y736 HydrophobicContact CB-CE2 4.08Å; F648-Y736 HydrophobicContact CB-CG 3.92Å; F648-Y736 AromaticContact CD1-CD1 3.57Å; F648-Y736 HydrophobicContact CD1-CD1 3.57Å; F648-Y736 AromaticContact CD1-CE1 3.76Å; F648-Y736 HydrophobicContact CD1-CE1 3.76Å; F648-Y736 HydrophobicContact CD1-CG 4.42Å; F648-Y736 AromaticContact CD2-CD1 3.75Å; F648-Y736 HydrophobicContact CD2-CD1 3.75Å; F648-Y736 AromaticContact CD2-CG 3.81Å; F648-Y736 HydrophobicContact CD2-CG 3.81Å; F648-Y736 HydrophobicContact CE1-CD1 4.08Å; F648-Y736 HydrophobicContact CE2-CD1 4.24Å; F648-Y736 HydrophobicContact CE2-CG 4.45Å; F648-Y736 AromaticContact CG-CD1 3.41Å; F648-Y736 HydrophobicContact CG-CD1 3.41Å; F648-Y736 VanDerWaalsContact CG-CD1 3.41Å; F648-Y736 HydrophobicContact CG-CD2 4.47Å; F648-Y736 AromaticContact CG-CE1 3.8Å; F648-Y736 HydrophobicContact CG-CE1 3.8Å; F648-Y736 AromaticContact CG-CG 3.81Å; F648-Y736 HydrophobicContact CG-CG 3.81Å; F648-Y736 HydrophobicContact CZ-CD1 4.4Å
649	I	97.6	Very high	96.6	Very high	89 Å²	89	49.1 Å²	49.1	46%	0.456	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	113.5	178.4	-59.8	173.5	0	0	0	109.1	N647 N651 Y736	N647-I649 PolarHBondContact O-N 3.27Å; I649-N651 PolarHBondContact O-N 3.22Å; I649-Y736 PolarHBondContact O-OH 2.84Å
650	W	96.4	Very high	96.6	Very high	9 Å²	9	45.2 Å²	45.2	3%	0.034	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	100.4	-178.7	-161.9	24.7	0	0	0	112	L652 A653 G655 Q656 Y717 A722 S725 I726 P733 Y736	W650-L652 VanDerWaalsContact C-N 3.26Å; W650-L652 HydrophobicContact CZ2-CD1 4.43Å; W650-L652 PolarHBondContact O-N 3.42Å; W650-A653 HydrophobicContact CB-CB 4.3Å; W650-A653 HydrophobicContact CD2-CB 4.16Å; W650-A653 HydrophobicContact CE3-CB 3.76Å; W650-A653 HydrophobicContact CG-CB 4.41Å; W650-A653 HydrophobicContact CZ3-CB 4.48Å; W650-A653 PolarHBondContact O-N 2.67Å; W650-G655 WeakPolarHBondContact O-CA 3.35Å; W650-G655 PolarHBondContact O-N 2.79Å; W650-G655 VanDerWaalsContact O-N 3.1Å; W650-Q656 PolarHBondContact N-O 2.95Å; W650-Y717 AromaticContact CH2-CD1 3.83Å; W650-Y717 HydrophobicContact CH2-CD1 3.83Å; W650-Y717 HydrophobicContact CH2-CD2 4.25Å; W650-Y717 HydrophobicContact CH2-CE1 4.01Å; W650-Y717 HydrophobicContact CH2-CE2 4.43Å; W650-Y717 AromaticContact CH2-CG 3.95Å; W650-Y717 HydrophobicContact CH2-CG 3.95Å; W650-Y717 HydrophobicContact CZ2-CD1 4.14Å; W650-Y717 AromaticContact CZ2-CD2 3.77Å; W650-Y717 HydrophobicContact CZ2-CD2 3.77Å; W650-Y717 HydrophobicContact CZ2-CE1 4.48Å; W650-Y717 HydrophobicContact CZ2-CE2 4.14Å; W650-Y717 AromaticContact CZ2-CG 3.77Å; W650-Y717 HydrophobicContact CZ2-CG 3.77Å; W650-A722 HydrophobicContact CD2-CB 4.42Å; W650-A722 HydrophobicContact CE3-CB 4.19Å; W650-A722 HydrophobicContact CH2-CB 3.54Å; W650-A722 HydrophobicContact CZ2-CB 3.79Å; W650-A722 HydrophobicContact CZ3-CB 3.75Å; W650-A722 WeakPolarHBondContact CZ3-O 3.42Å; W650-S725 WeakPolarHBondContact CZ3-OG 3.41Å; W650-I726 HydrophobicContact CB-CD1 4.44Å; W650-I726 HydrophobicContact CE3-CB 4.17Å; W650-I726 HydrophobicContact CE3-CD1 4.12Å; W650-I726 HydrophobicContact CE3-CG1 4.24Å; W650-I726 HydrophobicContact CZ3-CB 4.21Å; W650-P733 HydrophobicContact CD2-CB 4.06Å; W650-P733 HydrophobicContact CD2-CG 3.66Å; W650-P733 HydrophobicContact CE3-CB 4.2Å; W650-P733 HydrophobicContact CE3-CG 3.43Å; W650-P733 VanDerWaalsContact CE3-CG 3.43Å; W650-P733 HydrophobicContact CG-CG 4.37Å; W650-P733 HydrophobicContact CH2-CB 3.88Å; W650-P733 HydrophobicContact CH2-CG 3.82Å; W650-P733 HydrophobicContact CZ2-CB 3.71Å; W650-P733 HydrophobicContact CZ2-CG 4.02Å; W650-P733 HydrophobicContact CZ3-CB 4.12Å; W650-P733 HydrophobicContact CZ3-CG 3.53Å; W650-Y736 HydrophobicContact CB-CE2 3.95Å; W650-Y736 AromaticContact CD1-CE2 3.87Å; W650-Y736 AromaticContact CG-CE2 3.96Å; W650-Y736 HydrophobicContact CG-CE2 3.96Å
651	N	94.3	Very high	96.5	Very high	132 Å²	132	46.9 Å²	46.9	71%	0.706	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-58	-35.6	-177.5	-69	-35.9	0	0	0	113.3	I649 A653 G654	I649-N651 PolarHBondContact O-N 3.22Å; N651-A653 PolarHBondContact O-N 2.91Å; N651-G654 PolarHBondContact O-N 3.4Å; N651-G654 VanDerWaalsContact O-N 3.09Å
652	L	93.9	Very high	96.3	Very high	72 Å²	72	47.9 Å²	47.9	38%	0.377	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-64.2	-29.2	177.8	-68.9	177.5	0	0	0	112.8	W650 G654 P719 A722	W650-L652 VanDerWaalsContact C-N 3.26Å; W650-L652 HydrophobicContact CZ2-CD1 4.43Å; W650-L652 PolarHBondContact O-N 3.42Å; L652-G654 PolarHBondContact O-N 2.89Å; L652-P719 WeakPolarHBondContact O-CA 3.23Å; L652-A722 HydrophobicContact CB-CB 3.75Å
653	A	94.3	Very high	96.3	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.008	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-89.4	22.9	175.6	0	0	0	0	0	112.7	W650 N651 Q656 A722 I726	W650-A653 HydrophobicContact CB-CB 4.3Å; W650-A653 HydrophobicContact CD2-CB 4.16Å; W650-A653 HydrophobicContact CE3-CB 3.76Å; W650-A653 HydrophobicContact CG-CB 4.41Å; W650-A653 HydrophobicContact CZ3-CB 4.48Å; W650-A653 PolarHBondContact O-N 2.67Å; N651-A653 PolarHBondContact O-N 2.91Å; A653-Q656 HydrophobicContact CB-CB 4.41Å; A653-Q656 WeakPolarHBondContact O-CG 3.47Å; A653-Q656 PolarHBondContact O-NE2 3.16Å; A653-A722 HydrophobicContact CB-CB 4.22Å; A653-I726 HydrophobicContact CB-CB 4.36Å; A653-I726 HydrophobicContact CB-CD1 3.85Å; A653-I726 HydrophobicContact CB-CG2 4.18Å
654	G	91.1	Very high	96.3	Very high	70 Å²	70	42.2 Å²	42.2	72%	0.722	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.1	24.9	-179.3	0	0	0	0	0	114.1	N651 L652	N651-G654 PolarHBondContact O-N 3.4Å; N651-G654 VanDerWaalsContact O-N 3.09Å; L652-G654 PolarHBondContact O-N 2.89Å
655	G	93.5	Very high	96.3	Very high	32 Å²	32	41.5 Å²	41.5	33%	0.33	25%	0.253	S	S	.	.	S	Bend	trans	76.8	22.4	-178.6	0	0	0	0	0	113.5	W650	W650-G655 WeakPolarHBondContact O-CA 3.35Å; W650-G655 PolarHBondContact O-N 2.79Å; W650-G655 VanDerWaalsContact O-N 3.1Å
656	Q	93.9	Very high	96.3	Very high	49 Å²	49	42.8 Å²	42.8	23%	0.229	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	147.5	172.2	-72.2	-177.6	81.4	0	0	110.9	Y260 W650 A653 I726	Y260-Q656 PolarHBondContact OH-NE2 3.37Å; Y260-Q656 VanDerWaalsContact OH-NE2 3.12Å; Y260-Q656 PolarHBondContact OH-OE1 3.42Å; W650-Q656 PolarHBondContact N-O 2.95Å; A653-Q656 HydrophobicContact CB-CB 4.41Å; A653-Q656 WeakPolarHBondContact O-CG 3.47Å; A653-Q656 PolarHBondContact O-NE2 3.16Å; Q656-I726 HydrophobicContact CB-CD1 3.66Å
657	N	96.3	Very high	96.3	Very high	83 Å²	83	41.8 Å²	41.8	44%	0.444	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	141.9	172.7	-70.2	47	0	0	0	110.6	G646 F648 I726	G646-N657 WeakPolarHBondContact O-CB 3.23Å; G646-N657 PolarHBondContact O-ND2 2.97Å; F648-N657 CarbonylContact O-C 3.51Å; F648-N657 VanDerWaalsContact O-CA 3.28Å; F648-N657 WeakPolarHBondContact O-CA 3.38Å; N657-I726 WeakPolarHBondContact O-CD1 3.25Å
658	V	97.4	Very high	96.4	Very high	4 Å²	4	36 Å²	36	2%	0.024	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-60.8	138.9	167.6	178.2	0	0	0	0	108.7	G646 F648 G660 T663 P733 Y736	G646-V658 WeakPolarHBondContact CA-O 3.15Å; F648-V658 HydrophobicContact CB-CB 4.45Å; F648-V658 HydrophobicContact CB-CG2 4.09Å; F648-V658 PolarHBondContact O-N 3.15Å; V658-G660 PolarHBondContact O-N 3.3Å; V658-G660 VanDerWaalsContact O-N 3.16Å; V658-T663 HydrophobicContact CG1-CG2 4.06Å; V658-P733 HydrophobicContact CG2-CG 4.05Å; V658-Y736 HydrophobicContact CG2-CD2 3.7Å; V658-Y736 HydrophobicContact CG2-CE2 3.96Å
659	S	96.5	Very high	96.4	Very high	28 Å²	28	34.9 Å²	34.9	20%	0.196	21%	0.213	C	C	.	.			trans	-76.1	104.3	175.1	-178.6	0	0	0	0	109.9	I661 S662 T663	S659-I661 PolarHBondContact O-N 3.48Å; S659-S662 WeakPolarHBondContact OG-CB 3.44Å; S659-S662 PolarHBondContact OG-N 2.93Å; S659-S662 VanDerWaalsContact OG-N 3.16Å; S659-S662 PolarHBondContact OG-OG 3.49Å; S659-T663 WeakPolarHBondContact O-CB 3.42Å; S659-T663 WeakPolarHBondContact O-CG2 3.19Å; S659-T663 PolarHBondContact O-N 2.76Å; S659-T663 VanDerWaalsContact O-N 3.12Å; S659-T663 PolarHBondContact O-OG1 3.44Å
660	G	97.3	Very high	96.5	Very high	5 Å²	5	30.6 Å²	30.6	5%	0.052	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-18.2	175.8	0	0	0	0	0	114.1	V658	V658-G660 PolarHBondContact O-N 3.3Å; V658-G660 VanDerWaalsContact O-N 3.16Å
661	I	96.6	Very high	96.6	Very high	77 Å²	77	30.4 Å²	30.4	40%	0.395	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-55.3	175.9	-59.6	175.9	0	0	0	109.6	E313 Q316 V642 S659 T663 L664	E313-I661 HydrophobicContact CB-CG2 4.06Å; E313-I661 HydrophobicContact CG-CB 4.24Å; E313-I661 HydrophobicContact CG-CG2 4.23Å; Q316-I661 HydrophobicContact CG-CG2 4.34Å; V642-I661 HydrophobicContact CG1-CG1 3.77Å; S659-I661 PolarHBondContact O-N 3.48Å; I661-T663 PolarHBondContact O-N 3.39Å; I661-L664 VanDerWaalsContact O-CB 3.28Å; I661-L664 WeakPolarHBondContact O-CB 3.47Å; I661-L664 PolarHBondContact O-N 2.86Å; I661-L664 VanDerWaalsContact O-N 3.11Å
662	S	95.8	Very high	96.8	Very high	22 Å²	22	24.1 Å²	24.1	15%	0.154	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-20.4	-175.2	-43.9	0	0	0	0	112.8	E313 S659	E313-S662 WeakPolarHBondContact CG-OG 3.33Å; E313-S662 PolarHBondContact OE1-OG 3.46Å; S659-S662 WeakPolarHBondContact OG-CB 3.44Å; S659-S662 PolarHBondContact OG-N 2.93Å; S659-S662 VanDerWaalsContact OG-N 3.16Å; S659-S662 PolarHBondContact OG-OG 3.49Å
663	T	98.2	Very high	97	Very high	6 Å²	6	20.7 Å²	20.7	4%	0.037	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	3.5	177.1	63.3	0	0	0	0	114.6	V658 S659 I661 G665 E666 N667 S730	V658-T663 HydrophobicContact CG1-CG2 4.06Å; S659-T663 WeakPolarHBondContact O-CB 3.42Å; S659-T663 WeakPolarHBondContact O-CG2 3.19Å; S659-T663 PolarHBondContact O-N 2.76Å; S659-T663 VanDerWaalsContact O-N 3.12Å; S659-T663 PolarHBondContact O-OG1 3.44Å; I661-T663 PolarHBondContact O-N 3.39Å; T663-G665 PolarHBondContact O-N 3.19Å; T663-E666 PolarHBondContact O-N 3.04Å; T663-N667 WeakPolarHBondContact CB-ND2 3.16Å; T663-N667 WeakPolarHBondContact O-CB 3.23Å; T663-N667 PolarHBondContact O-N 3.26Å; T663-N667 PolarHBondContact O-ND2 3.35Å; T663-N667 PolarHBondContact O-OD1 2.89Å; T663-N667 PolarHBondContact OG1-ND2 3.1Å; T663-S730 WeakPolarHBondContact CA-O 3.46Å; T663-S730 WeakPolarHBondContact CB-O 3.32Å; T663-S730 WeakPolarHBondContact CG2-O 3.42Å
664	L	98.5	Very high	97.2	Very high	15 Å²	15	20.7 Å²	20.7	8%	0.079	14%	0.14	C	C	.	.	H	α-helix	trans	-59.3	-49.7	-169.1	-177	57.5	0	0	0	113.1	D611 M641 V642 I661 E666 N667 I668	D611-L664 HydrophobicContact CB-CD2 4.2Å; M641-L664 HydrophobicContact CB-CD1 4.03Å; V642-L664 HydrophobicContact CG2-CD1 3.71Å; V642-L664 HydrophobicContact CG2-CD2 3.74Å; V642-L664 HydrophobicContact CG2-CG 4.2Å; I661-L664 VanDerWaalsContact O-CB 3.28Å; I661-L664 WeakPolarHBondContact O-CB 3.47Å; I661-L664 PolarHBondContact O-N 2.86Å; I661-L664 VanDerWaalsContact O-N 3.11Å; L664-E666 PolarHBondContact O-N 3.13Å; L664-N667 PolarHBondContact O-N 2.94Å; L664-I668 HydrophobicContact CD1-CD1 3.87Å; L664-I668 HydrophobicContact CD1-CG1 4.02Å; L664-I668 HydrophobicContact CD2-CD1 4.48Å; L664-I668 HydrophobicContact CG-CD1 3.79Å; L664-I668 HydrophobicContact CG-CG1 4.35Å; L664-I668 VanDerWaalsContact O-CG1 3.31Å; L664-I668 WeakPolarHBondContact O-CG1 3.45Å; L664-I668 PolarHBondContact O-N 2.6Å
665	G	98.1	Very high	97.6	Very high	11 Å²	11	18.6 Å²	18.6	11%	0.113	11%	0.11	C	C	.	.	H	α-helix	trans	-58	-47.8	-178.5	0	0	0	0	0	112.6	D611 T663 N667 I668 A669	D611-G665 WeakPolarHBondContact OD1-CA 3.42Å; D611-G665 PolarHBondContact OD1-N 2.98Å; D611-G665 VanDerWaalsContact OD1-N 3.15Å; T663-G665 PolarHBondContact O-N 3.19Å; G665-N667 PolarHBondContact O-N 3.49Å; G665-I668 PolarHBondContact O-N 3.11Å; G665-A669 WeakPolarHBondContact O-CB 3.35Å; G665-A669 PolarHBondContact O-N 3.49Å
666	E	98.6	Very high	97.8	Very high	26 Å²	26	17 Å²	17	12%	0.121	9%	0.094	C	C	.	.	H	α-helix	trans	-62.7	-40.8	176.3	-62.2	-57	148.8	0	0	112.7	H603 H607 T663 L664 A669 D670 S730 H731 R737	H603-E666 IonicContact CE1-OE2 2.72Å; H603-E666 PolarHBondContact CE1-OE2 3.15Å; H603-E666 VanDerWaalsContact CE1-OE2 3.24Å; H603-E666 IonicContact NE2-OE2 3.9Å; H603-E666 PolarHBondContact NE2-OE2 3.1Å; H603-E666 VanDerWaalsContact NE2-OE2 3.16Å; H607-E666 IonicContact CE1-OE1 3.26Å; H607-E666 PolarHBondContact CE1-OE1 2.92Å; H607-E666 VanDerWaalsContact CE1-OE1 3.24Å; H607-E666 IonicContact CE1-OE2 2.79Å; H607-E666 IonicContact NE2-OE1 3.24Å; H607-E666 IonicContact NE2-OE2 3.81Å; T663-E666 PolarHBondContact O-N 3.04Å; L664-E666 PolarHBondContact O-N 3.13Å; E666-A669 PolarHBondContact O-N 3.24Å; E666-D670 WeakPolarHBondContact O-CB 3.42Å; E666-D670 PolarHBondContact O-N 2.52Å; E666-S730 WeakPolarHBondContact CG-O 3.45Å; E666-H731 VanDerWaalsContact CD-NE2 3.34Å; E666-H731 HydrophobicContact CG-CB 4.48Å; E666-H731 VanDerWaalsContact CG-CD2 3.46Å; E666-H731 WeakPolarHBondContact CG-CD2 3.42Å; E666-H731 IonicContact OE1-CD2 3.69Å; E666-H731 IonicContact OE1-NE2 2.98Å; E666-H731 IonicContact OE2-CD2 2.74Å; E666-H731 PolarHBondContact OE2-CD2 2.9Å; E666-H731 IonicContact OE2-NE2 3.69Å; E666-H731 PolarHBondContact OE2-NE2 3.36Å; E666-H731 VanDerWaalsContact OE2-NE2 3.17Å; E666-R737 IonicContact OE2-NH2 3.43Å
667	N	98.8	Very high	98	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-67.6	-38.9	178.2	-64.3	-27.1	0	0	0	111.6	Y645 T663 L664 G665 A669 N671 S732	Y645-N667 WeakPolarHBondContact CD1-ND2 3.43Å; Y645-N667 WeakPolarHBondContact CD1-OD1 3.35Å; Y645-N667 HydrophobicContact CD2-CB 3.99Å; Y645-N667 WeakPolarHBondContact CD2-ND2 3.43Å; Y645-N667 HydrophobicContact CE1-CB 4.34Å; Y645-N667 VanDerWaalsContact CE1-OD1 3.24Å; Y645-N667 WeakPolarHBondContact CE1-OD1 3.48Å; Y645-N667 HydrophobicContact CE2-CB 3.66Å; Y645-N667 HydrophobicContact CG-CB 4.43Å; T663-N667 WeakPolarHBondContact CB-ND2 3.16Å; T663-N667 WeakPolarHBondContact O-CB 3.23Å; T663-N667 PolarHBondContact O-N 3.26Å; T663-N667 PolarHBondContact O-ND2 3.35Å; T663-N667 PolarHBondContact O-OD1 2.89Å; T663-N667 PolarHBondContact OG1-ND2 3.1Å; L664-N667 PolarHBondContact O-N 2.94Å; G665-N667 PolarHBondContact O-N 3.49Å; N667-A669 VanDerWaalsContact C-N 3.35Å; N667-N671 WeakPolarHBondContact O-CB 3.41Å; N667-N671 PolarHBondContact O-N 2.93Å; N667-N671 VanDerWaalsContact O-N 3.11Å; N667-N671 PolarHBondContact O-ND2 3.4Å; N667-S732 WeakPolarHBondContact OD1-CB 3.48Å; N667-S732 PolarHBondContact OD1-OG 2.83Å
668	I	98.9	Very high	98.1	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.005	6%	0.064	C	C	.	.	H	α-helix	trans	-62.2	-46.1	173.1	-70.9	171.4	0	0	0	109.4	T606 D610 F634 M641 L664 G665 N671 G672 V768 W769	T606-I668 HydrophobicContact CG2-CG2 3.98Å; D610-I668 HydrophobicContact CB-CB 4.44Å; D610-I668 HydrophobicContact CB-CG2 4.24Å; F634-I668 HydrophobicContact CZ-CD1 4.01Å; M641-I668 HydrophobicContact SD-CG1 3.85Å; L664-I668 HydrophobicContact CD1-CD1 3.87Å; L664-I668 HydrophobicContact CD1-CG1 4.02Å; L664-I668 HydrophobicContact CD2-CD1 4.48Å; L664-I668 HydrophobicContact CG-CD1 3.79Å; L664-I668 HydrophobicContact CG-CG1 4.35Å; L664-I668 VanDerWaalsContact O-CG1 3.31Å; L664-I668 WeakPolarHBondContact O-CG1 3.45Å; L664-I668 PolarHBondContact O-N 2.6Å; G665-I668 PolarHBondContact O-N 3.11Å; I668-N671 PolarHBondContact O-N 2.92Å; I668-G672 PolarHBondContact O-N 2.81Å; I668-V768 HydrophobicContact CG1-CG2 4.27Å; I668-V768 HydrophobicContact CG2-CB 4.46Å; I668-V768 HydrophobicContact CG2-CG1 4.48Å; I668-W769 VanDerWaalsContact CG2-CD1 3.46Å
669	A	98.8	Very high	98.2	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-64.2	-42.4	179.9	0	0	0	0	0	112.8	H603 T606 G665 E666 N667 G673	H603-A669 WeakPolarHBondContact CE1-CB 3.31Å; H603-A669 VanDerWaalsContact ND1-C 3.29Å; H603-A669 VanDerWaalsContact ND1-CB 3.34Å; H603-A669 WeakPolarHBondContact ND1-CB 3.38Å; T606-A669 HydrophobicContact CG2-CB 4.41Å; G665-A669 WeakPolarHBondContact O-CB 3.35Å; G665-A669 PolarHBondContact O-N 3.49Å; E666-A669 PolarHBondContact O-N 3.24Å; N667-A669 VanDerWaalsContact C-N 3.35Å; A669-G673 WeakPolarHBondContact O-CA 3.5Å; A669-G673 PolarHBondContact O-N 3.19Å
670	D	98.9	Very high	98.3	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-61	-47.8	174.3	-77.1	-16.4	0	0	0	112.6	H603 E666 G673 V674 R737 S741	H603-D670 IonicContact CE1-OD1 3.68Å; H603-D670 PolarHBondContact CE1-OD1 3.46Å; H603-D670 PolarHBondContact ND1-N 2.83Å; H603-D670 IonicContact ND1-OD1 2.68Å; H603-D670 PolarHBondContact ND1-OD1 2.7Å; E666-D670 WeakPolarHBondContact O-CB 3.42Å; E666-D670 PolarHBondContact O-N 2.52Å; D670-G673 PolarHBondContact O-N 2.6Å; D670-V674 WeakPolarHBondContact O-CG1 3.35Å; D670-V674 PolarHBondContact O-N 3.05Å; D670-V674 VanDerWaalsContact O-N 3.09Å; D670-R737 IonicContact OD1-CZ 3.55Å; D670-R737 IonicContact OD1-NE 3.44Å; D670-R737 PolarHBondContact OD1-NE 3.17Å; D670-R737 IonicContact OD1-NH2 2.8Å; D670-R737 PolarHBondContact OD1-NH2 3.29Å; D670-R737 WeakPolarHBondContact OD2-CB 3.35Å; D670-R737 WeakPolarHBondContact OD2-CG 3.21Å; D670-R737 IonicContact OD2-CZ 2.93Å; D670-R737 IonicContact OD2-NE 3.27Å; D670-R737 PolarHBondContact OD2-NE 3.48Å; D670-R737 IonicContact OD2-NH2 3.94Å; D670-R737 PolarHBondContact OD2-NH2 3.25Å; D670-S741 WeakPolarHBondContact CB-OG 3.48Å
671	N	98.9	Very high	98.4	Very high	4 Å²	4	11.6 Å²	11.6	2%	0.021	6%	0.06	C	C	.	.	H	α-helix	trans	-66.9	-42.8	-178.1	-84.1	-99.1	0	0	0	111.7	M641 Y645 N667 I668 R675 N744	M641-N671 HydrophobicContact CE-CB 3.54Å; M641-N671 HydrophobicContact SD-CB 4.39Å; Y645-N671 PolarHBondContact OH-ND2 3.11Å; N667-N671 WeakPolarHBondContact O-CB 3.41Å; N667-N671 PolarHBondContact O-N 2.93Å; N667-N671 VanDerWaalsContact O-N 3.11Å; N667-N671 PolarHBondContact O-ND2 3.4Å; I668-N671 PolarHBondContact O-N 2.92Å; N671-R675 WeakPolarHBondContact O-CD 3.35Å; N671-R675 VanDerWaalsContact O-CG 3.3Å; N671-R675 WeakPolarHBondContact O-CG 3.32Å; N671-N744 VanDerWaalsContact OD1-CB 3.29Å; N671-N744 WeakPolarHBondContact OD1-CB 3.45Å; N671-N744 PolarHBondContact OD1-ND2 3.44Å
672	G	98.5	Very high	98.4	Very high	1 Å²	1	10.4 Å²	10.4	1%	0.01	6%	0.055	C	C	.	.	H	α-helix	trans	-65.8	-48.6	174.9	0	0	0	0	0	111.4	I668 V674 R675 Q676	I668-G672 PolarHBondContact O-N 2.81Å; G672-V674 PolarHBondContact O-N 2.73Å; G672-R675 PolarHBondContact O-N 3.16Å; G672-Q676 VanDerWaalsContact C-NE2 3.3Å; G672-Q676 WeakPolarHBondContact O-CG 3.36Å; G672-Q676 PolarHBondContact O-N 2.82Å; G672-Q676 PolarHBondContact O-NE2 3.08Å
673	G	98.5	Very high	98.5	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-60.2	-46.1	-175.2	0	0	0	0	0	113.5	A669 D670 R675 Q676 A677	A669-G673 WeakPolarHBondContact O-CA 3.5Å; A669-G673 PolarHBondContact O-N 3.19Å; D670-G673 PolarHBondContact O-N 2.6Å; G673-R675 VanDerWaalsContact C-N 3.32Å; G673-R675 PolarHBondContact O-N 3.38Å; G673-Q676 PolarHBondContact O-N 2.96Å; G673-A677 VanDerWaalsContact O-CB 3.26Å; G673-A677 WeakPolarHBondContact O-CB 3.32Å; G673-A677 PolarHBondContact O-N 3.2Å
674	V	98.8	Very high	98.5	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-64.8	-36.4	178.4	71.8	0	0	0	0	112.2	M599 D670 G672 Y678 F705 F709 F745	M599-V674 HydrophobicContact CG-CB 4.02Å; D670-V674 WeakPolarHBondContact O-CG1 3.35Å; D670-V674 PolarHBondContact O-N 3.05Å; D670-V674 VanDerWaalsContact O-N 3.09Å; G672-V674 PolarHBondContact O-N 2.73Å; V674-Y678 WeakPolarHBondContact O-CB 3.33Å; V674-Y678 PolarHBondContact O-N 2.69Å; V674-F705 HydrophobicContact CG2-CE1 3.86Å; V674-F705 HydrophobicContact CG2-CZ 4.19Å; V674-F709 HydrophobicContact CB-CD2 4.24Å; V674-F709 HydrophobicContact CB-CE2 3.98Å; V674-F709 HydrophobicContact CG2-CD1 4.47Å; V674-F709 HydrophobicContact CG2-CD2 3.76Å; V674-F709 HydrophobicContact CG2-CE2 3.91Å; V674-F709 HydrophobicContact CG2-CG 4.05Å; V674-F709 HydrophobicContact CG2-CZ 4.36Å; V674-F745 HydrophobicContact CG1-CD1 4.08Å; V674-F745 HydrophobicContact CG1-CE1 4.45Å; V674-F745 HydrophobicContact CG2-CD1 4.35Å; V674-F745 HydrophobicContact CG2-CE1 4.36Å
675	R	98.3	Very high	98.4	Very high	26 Å²	26	14.1 Å²	14.1	10%	0.098	7%	0.068	C	C	.	.	H	α-helix	trans	-68.5	-46	178	-74	177	172.6	-84.9	10	111.7	N671 G672 G673 Y678 K679 N744 F745 E746	N671-R675 WeakPolarHBondContact O-CD 3.35Å; N671-R675 VanDerWaalsContact O-CG 3.3Å; N671-R675 WeakPolarHBondContact O-CG 3.32Å; G672-R675 PolarHBondContact O-N 3.16Å; G673-R675 VanDerWaalsContact C-N 3.32Å; G673-R675 PolarHBondContact O-N 3.38Å; R675-Y678 PolarHBondContact O-N 3.07Å; R675-K679 WeakPolarHBondContact O-CB 3.49Å; R675-K679 PolarHBondContact O-N 3.44Å; R675-N744 PolarHBondContact NH2-O 3.45Å; R675-F745 HydrophobicContact CB-CZ 4.31Å; R675-F745 HydrophobicContact CG-CD1 4.2Å; R675-F745 HydrophobicContact CG-CD2 4Å; R675-F745 HydrophobicContact CG-CE1 4.09Å; R675-F745 HydrophobicContact CG-CE2 3.88Å; R675-F745 HydrophobicContact CG-CG 4.17Å; R675-F745 HydrophobicContact CG-CZ 3.93Å; R675-E746 IonicContact CZ-OE2 2.87Å; R675-E746 IonicContact NH1-OE2 2.81Å; R675-E746 PolarHBondContact NH1-OE2 2.89Å; R675-E746 IonicContact NH2-OE1 3.41Å; R675-E746 IonicContact NH2-OE2 2.76Å; R675-E746 PolarHBondContact NH2-OE2 2.92Å
676	Q	98.3	Very high	98.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-64.4	-44.2	179.5	-65.5	154	29.3	0	0	111.2	I465 Y469 G602 T606 G672 G673 Y678 K679 A680	I465-Q676 HydrophobicContact CG2-CB 4.06Å; Y469-Q676 HydrophobicContact CD2-CG 4.23Å; G602-Q676 VanDerWaalsContact CA-OE1 3.32Å; G602-Q676 PolarHBondContact O-OE1 3.28Å; T606-Q676 PolarHBondContact OG1-NE2 3.19Å; T606-Q676 PolarHBondContact OG1-OE1 3.37Å; G672-Q676 VanDerWaalsContact C-NE2 3.3Å; G672-Q676 WeakPolarHBondContact O-CG 3.36Å; G672-Q676 PolarHBondContact O-N 2.82Å; G672-Q676 PolarHBondContact O-NE2 3.08Å; G673-Q676 PolarHBondContact O-N 2.96Å; Q676-Y678 PolarHBondContact O-N 3.26Å; Q676-K679 PolarHBondContact O-N 3.01Å; Q676-A680 WeakPolarHBondContact O-CB 3.48Å; Q676-A680 PolarHBondContact O-N 2.94Å
677	A	98.8	Very high	98.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-63.2	-41.6	177	0	0	0	0	0	112.3	F594 G598 M599 G673 A680 Y681 F705	F594-A677 WeakPolarHBondContact CD1-O 3.14Å; F594-A677 WeakPolarHBondContact O-CB 3.3Å; G598-A677 VanDerWaalsContact C-CB 3.45Å; M599-A677 HydrophobicContact CB-CB 4.33Å; G673-A677 VanDerWaalsContact O-CB 3.26Å; G673-A677 WeakPolarHBondContact O-CB 3.32Å; G673-A677 PolarHBondContact O-N 3.2Å; A677-A680 PolarHBondContact O-N 3.42Å; A677-Y681 WeakPolarHBondContact O-CB 3.41Å; A677-Y681 PolarHBondContact O-N 3.11Å; A677-F705 HydrophobicContact CB-CE2 4.07Å; A677-F705 HydrophobicContact CB-CZ 4.01Å
678	Y	98.8	Very high	98.1	Very high	11 Å²	11	31.3 Å²	31.3	4%	0.043	15%	0.153	C	C	.	.	H	α-helix	trans	-66.3	-42.9	176.8	-173.5	-104.9	0	0	0	112.1	V674 R675 Q676 A680 Y681 L682 K702 F705 F706 F745 A747	V674-Y678 WeakPolarHBondContact O-CB 3.33Å; V674-Y678 PolarHBondContact O-N 2.69Å; R675-Y678 PolarHBondContact O-N 3.07Å; Q676-Y678 PolarHBondContact O-N 3.26Å; Y678-A680 PolarHBondContact O-N 3.06Å; Y678-Y681 WeakPolarHBondContact O-CB 3.29Å; Y678-Y681 PolarHBondContact O-N 2.94Å; Y678-L682 HydrophobicContact CD1-CD1 4.03Å; Y678-L682 HydrophobicContact CD1-CG 4.32Å; Y678-L682 HydrophobicContact CE1-CD1 3.52Å; Y678-L682 HydrophobicContact CE1-CD2 4.38Å; Y678-L682 HydrophobicContact CE1-CG 4Å; Y678-L682 WeakPolarHBondContact O-CG 3.46Å; Y678-L682 PolarHBondContact O-N 3.32Å; Y678-K702 HydrophobicContact CE2-CB 4.29Å; Y678-K702 HydrophobicContact CE2-CG 4.35Å; Y678-K702 WeakPolarHBondContact OH-CD 3.44Å; Y678-F705 AromaticContact CD2-CD1 3.6Å; Y678-F705 HydrophobicContact CD2-CD1 3.6Å; Y678-F705 HydrophobicContact CD2-CD2 4.26Å; Y678-F705 AromaticContact CD2-CE1 3.77Å; Y678-F705 HydrophobicContact CD2-CE1 3.77Å; Y678-F705 HydrophobicContact CD2-CE2 4.37Å; Y678-F705 AromaticContact CD2-CG 3.9Å; Y678-F705 HydrophobicContact CD2-CG 3.9Å; Y678-F705 HydrophobicContact CD2-CZ 4.16Å; Y678-F705 HydrophobicContact CE2-CD1 4.34Å; Y678-F705 HydrophobicContact CG-CD1 4.5Å; Y678-F705 HydrophobicContact CG-CE1 4.24Å; Y678-F705 HydrophobicContact CG-CZ 4.41Å; Y678-F706 HydrophobicContact CD2-CE1 4.44Å; Y678-F706 HydrophobicContact CD2-CE2 4.18Å; Y678-F706 AromaticContact CD2-CZ 3.8Å; Y678-F706 HydrophobicContact CD2-CZ 3.8Å; Y678-F706 AromaticContact CE2-CE2 3.73Å; Y678-F706 HydrophobicContact CE2-CE2 3.73Å; Y678-F706 AromaticContact CE2-CZ 3.77Å; Y678-F706 HydrophobicContact CE2-CZ 3.77Å; Y678-F706 HydrophobicContact CG-CZ 4.24Å; Y678-F745 HydrophobicContact CD1-CE1 4.25Å; Y678-F745 HydrophobicContact CD1-CE2 4.45Å; Y678-F745 AromaticContact CD1-CZ 3.59Å; Y678-F745 HydrophobicContact CD1-CZ 3.59Å; Y678-F745 HydrophobicContact CE1-CZ 4.42Å; Y678-F745 HydrophobicContact CG-CE1 4.08Å; Y678-F745 AromaticContact CG-CZ 3.86Å; Y678-F745 HydrophobicContact CG-CZ 3.86Å; Y678-A747 HydrophobicContact CD1-CB 3.9Å; Y678-A747 HydrophobicContact CE1-CB 3.37Å
679	K	98.4	Very high	97.8	Very high	36 Å²	36	32.8 Å²	32.8	16%	0.157	17%	0.168	C	C	.	.	H	α-helix	trans	-61.5	-43.3	175.1	-178	172.8	178.2	175.6	0	111.6	A468 E471 T472 E475 R675 Q676 Y681 L682 K683	A468-K679 HydrophobicContact CB-CB 4.28Å; A468-K679 HydrophobicContact CB-CD 4.37Å; A468-K679 HydrophobicContact CB-CG 4.21Å; E471-K679 IonicContact OE2-NZ 2.58Å; T472-K679 PolarHBondContact OG1-NZ 3.5Å; E475-K679 IonicContact OE1-NZ 2.68Å; E475-K679 PolarHBondContact OE1-NZ 3.49Å; R675-K679 WeakPolarHBondContact O-CB 3.49Å; R675-K679 PolarHBondContact O-N 3.44Å; Q676-K679 PolarHBondContact O-N 3.01Å; K679-Y681 VanDerWaalsContact C-N 3.33Å; K679-L682 PolarHBondContact O-N 3.47Å; K679-K683 PolarHBondContact O-N 3.04Å
680	A	98.6	Very high	97.5	Very high	2 Å²	2	40.2 Å²	40.2	2%	0.017	20%	0.203	C	C	.	.	H	α-helix	trans	-63.3	-39.3	175.5	0	0	0	0	0	112	K464 I465 A468 F594 Q676 A677 Y678 K683 W684	K464-A680 HydrophobicContact CB-CB 4.38Å; I465-A680 HydrophobicContact CG1-CB 3.89Å; A468-A680 HydrophobicContact CB-CB 3.95Å; F594-A680 HydrophobicContact CD1-CB 4.07Å; F594-A680 HydrophobicContact CE1-CB 3.59Å; Q676-A680 WeakPolarHBondContact O-CB 3.48Å; Q676-A680 PolarHBondContact O-N 2.94Å; A677-A680 PolarHBondContact O-N 3.42Å; Y678-A680 PolarHBondContact O-N 3.06Å; A680-K683 PolarHBondContact O-N 3.38Å; A680-W684 WeakPolarHBondContact O-CB 3.33Å; A680-W684 PolarHBondContact O-N 2.91Å
681	Y	98.6	Very high	97.3	Very high	5 Å²	5	41.9 Å²	41.9	2%	0.02	21%	0.211	C	C	.	.	H	α-helix	trans	-61.9	-47.2	174.9	173	-113.7	0	0	0	112.4	A591 F594 A677 Y678 K679 K683 W684 V685 H701 F705	A591-Y681 HydrophobicContact CB-CE1 4.47Å; A591-Y681 HydrophobicContact CB-CE2 3.87Å; F594-Y681 HydrophobicContact CB-CD2 4.32Å; F594-Y681 HydrophobicContact CB-CG 4.3Å; F594-Y681 AromaticContact CD2-CD2 3.65Å; F594-Y681 HydrophobicContact CD2-CD2 3.65Å; F594-Y681 HydrophobicContact CD2-CG 4.26Å; F594-Y681 HydrophobicContact CE2-CD2 4.27Å; F594-Y681 HydrophobicContact CG-CD2 4.2Å; F594-Y681 HydrophobicContact CG-CG 4.38Å; A677-Y681 WeakPolarHBondContact O-CB 3.41Å; A677-Y681 PolarHBondContact O-N 3.11Å; Y678-Y681 WeakPolarHBondContact O-CB 3.29Å; Y678-Y681 PolarHBondContact O-N 2.94Å; K679-Y681 VanDerWaalsContact C-N 3.33Å; Y681-K683 VanDerWaalsContact C-N 3.33Å; Y681-K683 PolarHBondContact O-N 2.8Å; Y681-W684 HydrophobicContact CD2-CE3 4.37Å; Y681-W684 HydrophobicContact CE2-CE3 4.12Å; Y681-W684 HydrophobicContact CE2-CZ3 4.44Å; Y681-W684 WeakPolarHBondContact O-CB 3.35Å; Y681-W684 PolarHBondContact O-N 3.49Å; Y681-W684 VanDerWaalsContact O-N 3.12Å; Y681-V685 HydrophobicContact CD2-CG2 4.25Å; Y681-V685 HydrophobicContact CE1-CG2 4.04Å; Y681-V685 HydrophobicContact CE2-CG2 3.61Å; Y681-V685 VanDerWaalsContact CZ-CG2 3.46Å; Y681-V685 WeakPolarHBondContact O-CG2 3.33Å; Y681-V685 PolarHBondContact O-N 3.02Å; Y681-V685 WeakPolarHBondContact OH-CG2 3.33Å; Y681-H701 WeakPolarHBondContact OH-CB 3.5Å; Y681-F705 HydrophobicContact CD1-CD2 4.47Å; Y681-F705 HydrophobicContact CG-CD2 4.45Å
682	L	98.2	Very high	97	Very high	53 Å²	53	43.1 Å²	43.1	28%	0.277	22%	0.219	S	C	.	.	H	α-helix	trans	-60.5	-41.8	179.4	-68.6	-176.7	0	0	0	112.2	Y678 K679 W684 V685 E686 K702	Y678-L682 HydrophobicContact CD1-CD1 4.03Å; Y678-L682 HydrophobicContact CD1-CG 4.32Å; Y678-L682 HydrophobicContact CE1-CD1 3.52Å; Y678-L682 HydrophobicContact CE1-CD2 4.38Å; Y678-L682 HydrophobicContact CE1-CG 4Å; Y678-L682 WeakPolarHBondContact O-CG 3.46Å; Y678-L682 PolarHBondContact O-N 3.32Å; K679-L682 PolarHBondContact O-N 3.47Å; L682-W684 VanDerWaalsContact C-N 3.33Å; L682-W684 PolarHBondContact O-N 2.9Å; L682-V685 WeakPolarHBondContact O-CB 3.13Å; L682-V685 PolarHBondContact O-N 3.13Å; L682-E686 WeakPolarHBondContact O-CG 3.39Å; L682-E686 PolarHBondContact O-N 3.26Å; L682-K702 HydrophobicContact CD2-CG 4.48Å
683	K	97.5	Very high	96.8	Very high	50 Å²	50	48.9 Å²	48.9	22%	0.217	24%	0.241	C	C	.	.	H	α-helix	trans	-65	-36.9	174.4	-71.8	-175.9	-177.4	174.8	0	113.7	E471 K679 A680 Y681 V685 E686 T687	E471-K683 IonicContact OE1-NZ 3.98Å; E471-K683 PolarHBondContact OE1-NZ 3.28Å; E471-K683 WeakPolarHBondContact OE2-CE 3.34Å; E471-K683 IonicContact OE2-NZ 3.96Å; E471-K683 PolarHBondContact OE2-NZ 2.91Å; K679-K683 PolarHBondContact O-N 3.04Å; A680-K683 PolarHBondContact O-N 3.38Å; Y681-K683 VanDerWaalsContact C-N 3.33Å; Y681-K683 PolarHBondContact O-N 2.8Å; K683-V685 VanDerWaalsContact C-N 3.29Å; K683-E686 PolarHBondContact O-N 3.29Å; K683-T687 PolarHBondContact O-N 2.84Å; K683-T687 VanDerWaalsContact O-N 3.07Å; K683-T687 PolarHBondContact O-OG1 3.28Å
684	W	97.6	Very high	96.7	Very high	44 Å²	44	49 Å²	49	17%	0.167	24%	0.241	C	C	.	.	H	α-helix	trans	-60.3	-44.7	174.1	179.1	86.7	0	0	0	109.8	Q590 F594 A680 Y681 L682 E686 T687 E688 E691	Q590-W684 HydrophobicContact CB-CD2 4.14Å; Q590-W684 HydrophobicContact CB-CE3 3.94Å; Q590-W684 HydrophobicContact CB-CH2 3.93Å; Q590-W684 HydrophobicContact CB-CZ2 4.11Å; Q590-W684 HydrophobicContact CB-CZ3 3.83Å; Q590-W684 HydrophobicContact CG-CD2 4.16Å; Q590-W684 HydrophobicContact CG-CE3 4.33Å; Q590-W684 HydrophobicContact CG-CH2 3.69Å; Q590-W684 HydrophobicContact CG-CZ2 3.46Å; Q590-W684 VanDerWaalsContact CG-CZ2 3.46Å; Q590-W684 HydrophobicContact CG-CZ3 4.11Å; F594-W684 HydrophobicContact CE2-CB 3.96Å; F594-W684 HydrophobicContact CE2-CD2 4.4Å; F594-W684 AromaticContact CE2-CG 3.93Å; F594-W684 HydrophobicContact CE2-CG 3.93Å; F594-W684 HydrophobicContact CZ-CB 4.02Å; F594-W684 HydrophobicContact CZ-CG 4.28Å; A680-W684 WeakPolarHBondContact O-CB 3.33Å; A680-W684 PolarHBondContact O-N 2.91Å; Y681-W684 HydrophobicContact CD2-CE3 4.37Å; Y681-W684 HydrophobicContact CE2-CE3 4.12Å; Y681-W684 HydrophobicContact CE2-CZ3 4.44Å; Y681-W684 WeakPolarHBondContact O-CB 3.35Å; Y681-W684 PolarHBondContact O-N 3.49Å; Y681-W684 VanDerWaalsContact O-N 3.12Å; L682-W684 VanDerWaalsContact C-N 3.33Å; L682-W684 PolarHBondContact O-N 2.9Å; W684-E686 PolarHBondContact O-N 3.42Å; W684-T687 PolarHBondContact O-N 3.4Å; W684-T687 VanDerWaalsContact O-N 3.15Å; W684-E688 HydrophobicContact CD2-CB 4.29Å; W684-E688 HydrophobicContact CD2-CG 4.23Å; W684-E688 HydrophobicContact CG-CG 4.36Å; W684-E688 HydrophobicContact CH2-CB 4.15Å; W684-E688 HydrophobicContact CZ2-CB 3.72Å; W684-E688 HydrophobicContact CZ2-CG 3.94Å; W684-E688 WeakPolarHBondContact O-CB 3.23Å; W684-E688 PolarHBondContact O-N 3.32Å; W684-E691 HydrophobicContact CH2-CG 3.58Å; W684-E691 HydrophobicContact CZ3-CG 3.85Å
685	V	97.7	Very high	96.5	Very high	27 Å²	27	50.4 Å²	50.4	16%	0.164	25%	0.251	C	S	.	.	H	α-helix	trans	-62.7	-40.1	174.1	175.5	0	0	0	0	112.2	Y681 L682 K683 T687 G689 E690	Y681-V685 HydrophobicContact CD2-CG2 4.25Å; Y681-V685 HydrophobicContact CE1-CG2 4.04Å; Y681-V685 HydrophobicContact CE2-CG2 3.61Å; Y681-V685 VanDerWaalsContact CZ-CG2 3.46Å; Y681-V685 WeakPolarHBondContact O-CG2 3.33Å; Y681-V685 PolarHBondContact O-N 3.02Å; Y681-V685 WeakPolarHBondContact OH-CG2 3.33Å; L682-V685 WeakPolarHBondContact O-CB 3.13Å; L682-V685 PolarHBondContact O-N 3.13Å; K683-V685 VanDerWaalsContact C-N 3.29Å; V685-T687 PolarHBondContact O-N 3.28Å; V685-G689 WeakPolarHBondContact O-CA 3.49Å; V685-G689 PolarHBondContact O-N 2.95Å; V685-E690 HydrophobicContact CG1-CG 3.82Å
686	E	96.7	Very high	96.2	Very high	159 Å²	159	52.5 Å²	52.5	74%	0.743	28%	0.28	S	S	*	.	H	α-helix	trans	-60.7	-30.5	175.8	-73.1	171	-176.3	0	0	112.7	L682 K683 W684	L682-E686 WeakPolarHBondContact O-CG 3.39Å; L682-E686 PolarHBondContact O-N 3.26Å; K683-E686 PolarHBondContact O-N 3.29Å; W684-E686 PolarHBondContact O-N 3.42Å
687	T	95.6	Very high	96	Very high	109 Å²	109	53.1 Å²	53.1	67%	0.669	28%	0.283	S	S	*	.	H	α-helix	trans	-91.6	-45	-176.9	-51.8	0	0	0	0	112.5	K683 W684 V685	K683-T687 PolarHBondContact O-N 2.84Å; K683-T687 VanDerWaalsContact O-N 3.07Å; K683-T687 PolarHBondContact O-OG1 3.28Å; W684-T687 PolarHBondContact O-N 3.4Å; W684-T687 VanDerWaalsContact O-N 3.15Å; V685-T687 PolarHBondContact O-N 3.28Å
688	E	95.9	Very high	95.6	Very high	129 Å²	129	60.2 Å²	60.2	60%	0.603	32%	0.321	S	S	*	.	H	α-helix	trans	-101.3	-15.5	-171.2	-57.3	-61.9	155.9	0	0	113.3	W684	W684-E688 HydrophobicContact CD2-CB 4.29Å; W684-E688 HydrophobicContact CD2-CG 4.23Å; W684-E688 HydrophobicContact CG-CG 4.36Å; W684-E688 HydrophobicContact CH2-CB 4.15Å; W684-E688 HydrophobicContact CZ2-CB 3.72Å; W684-E688 HydrophobicContact CZ2-CG 3.94Å; W684-E688 WeakPolarHBondContact O-CB 3.23Å; W684-E688 PolarHBondContact O-N 3.32Å
689	G	93.6	Very high	95.4	Very high	32 Å²	32	60.4 Å²	60.4	33%	0.33	32%	0.323	S	S	.	.			trans	88.4	176	-174.5	0	0	0	0	0	113.9	V685	V685-G689 WeakPolarHBondContact O-CA 3.49Å; V685-G689 PolarHBondContact O-N 2.95Å
690	E	91.6	Very high	95.2	Very high	157 Å²	157	61.8 Å²	61.8	73%	0.734	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-77.8	136.7	177.1	-68.9	-170.8	176.5	0	0	111.7	V685	V685-E690 HydrophobicContact CG1-CG 3.82Å
691	E	93.8	Very high	95.1	Very high	34 Å²	34	62.3 Å²	62.3	16%	0.159	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-71.4	160.6	171.8	-61.5	178.7	110.5	0	0	111.5	H589 Q590 A591 W684 H701	H589-E691 WeakPolarHBondContact CA-OE1 3.35Å; H589-E691 WeakPolarHBondContact CB-OE2 3.44Å; H589-E691 IonicContact CD2-OE1 3.83Å; H589-E691 IonicContact CD2-OE2 3.64Å; H589-E691 IonicContact CG-OE2 3.94Å; Q590-E691 VanDerWaalsContact N-CD 3.27Å; Q590-E691 PolarHBondContact N-OE1 2.76Å; Q590-E691 PolarHBondContact N-OE2 3.47Å; A591-E691 PolarHBondContact N-OE2 3.45Å; W684-E691 HydrophobicContact CH2-CG 3.58Å; W684-E691 HydrophobicContact CZ3-CG 3.85Å; E691-H701 PolarHBondContact O-CE1 3.09Å
692	P	93.8	Very high	95.1	Very high	31 Å²	31	65.8 Å²	65.8	20%	0.201	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-62.2	153.2	171	-20.5	33.1	0	0	0	112.1	N77 C79 H589 H701	N77-P692 CarbonylContact O-C 3.6Å; C79-P692 HydrophobicContact CB-CB 4.21Å; H589-P692 PolarHBondContact NE2-O 2.99Å; P692-H701 PolarHBondContact O-CE1 3.39Å; P692-H701 VanDerWaalsContact O-CE1 3.23Å; P692-H701 PolarHBondContact O-NE2 2.72Å; P692-H701 VanDerWaalsContact O-NE2 3.09Å
693	R	94.6	Very high	95.1	Very high	121 Å²	121	65.2 Å²	65.2	46%	0.457	35%	0.345	S	S	.	.	B	Isolated β-bridge	trans	-66.7	151.3	178.5	-67.5	-171.9	177.4	-161.4	-2.8	112.3	N77 V78 C79 D698	N77-R693 PolarHBondContact O-N 3.41Å; V78-R693 CarbonylContact C-O 3.55Å; V78-R693 WeakPolarHBondContact CA-O 3.16Å; C79-R693 PolarHBondContact N-O 3.42Å; R693-D698 IonicContact NH1-OD1 3.64Å
694	L	95.4	Very high	95.1	Very high	3 Å²	3	62.8 Å²	62.8	2%	0.016	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-71.7	143.6	168.6	-78.3	178.2	0	0	0	111.7	C84 A88 L91 H589 L592 L697 L704	C84-L694 HydrophobicContact CB-CD2 3.96Å; C84-L694 WeakPolarHBondContact O-CD2 3.02Å; A88-L694 HydrophobicContact CB-CB 4.24Å; A88-L694 HydrophobicContact CB-CD2 4.37Å; L91-L694 HydrophobicContact CD1-CD1 3.62Å; H589-L694 WeakPolarHBondContact CE1-CD2 3.43Å; H589-L694 VanDerWaalsContact ND1-CD2 3.3Å; H589-L694 WeakPolarHBondContact ND1-CD2 3.43Å; L592-L694 HydrophobicContact CD1-CD1 4.3Å; L694-L697 HydrophobicContact CB-CD1 4.06Å; L694-L697 HydrophobicContact CD1-CD1 4.02Å; L694-L704 HydrophobicContact CB-CD1 4.36Å; L694-L704 HydrophobicContact CD1-CD1 3.71Å; L694-L704 HydrophobicContact CD1-CD2 4Å; L694-L704 HydrophobicContact CD1-CG 4.48Å; L694-L704 HydrophobicContact CG-CD1 4.03Å
695	P	94.6	Very high	95.2	Very high	30 Å²	30	60.7 Å²	60.7	20%	0.195	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	134.3	-178.6	28.6	-32	0	0	0	111.1	V78 C79 V85 A88 L697	V78-P695 HydrophobicContact CG1-CB 3.74Å; C79-P695 VanDerWaalsContact O-CD 3.27Å; C79-P695 WeakPolarHBondContact O-CD 3.3Å; C79-P695 WeakPolarHBondContact O-CG 3.17Å; V85-P695 HydrophobicContact CG2-CG 4.08Å; A88-P695 HydrophobicContact CB-CG 4Å; A88-P695 VanDerWaalsContact CB-O 3.27Å; A88-P695 WeakPolarHBondContact CB-O 3.46Å; P695-L697 VanDerWaalsContact C-N 3.26Å; P695-L697 PolarHBondContact O-N 2.93Å
696	G	93	Very high	95.2	Very high	69 Å²	69	59.4 Å²	59.4	71%	0.711	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	-1.3	174.7	0	0	0	0	0	115.7
697	L	93	Very high	95.4	Very high	13 Å²	13	51.9 Å²	51.9	7%	0.068	28%	0.283	C	S	.	.			trans	-109	118.5	174.3	-76.1	157.6	0	0	0	109.4	A88 L91 L92 I95 L694 P695 M699 L704	A88-L697 HydrophobicContact CB-CD1 4.07Å; L91-L697 HydrophobicContact CB-CD1 3.93Å; L91-L697 HydrophobicContact CD1-CD1 3.73Å; L92-L697 HydrophobicContact CD1-CG 4.32Å; L92-L697 HydrophobicContact CD2-CD2 3.44Å; L92-L697 VanDerWaalsContact CD2-CD2 3.44Å; L92-L697 HydrophobicContact CD2-CG 3.89Å; L92-L697 HydrophobicContact CG-CD1 4.45Å; L92-L697 HydrophobicContact CG-CD2 3.72Å; L92-L697 HydrophobicContact CG-CG 3.81Å; I95-L697 HydrophobicContact CD1-CD2 4.06Å; L694-L697 HydrophobicContact CB-CD1 4.06Å; L694-L697 HydrophobicContact CD1-CD1 4.02Å; P695-L697 VanDerWaalsContact C-N 3.26Å; P695-L697 PolarHBondContact O-N 2.93Å; L697-M699 HydrophobicContact CD2-SD 4.23Å; L697-M699 PolarHBondContact O-N 3.43Å; L697-M699 VanDerWaalsContact O-N 3.09Å; L697-L704 HydrophobicContact CD1-CD2 4Å
698	D	91.2	Very high	95.5	Very high	150 Å²	150	46.7 Å²	46.7	80%	0.802	25%	0.252	S	S	*	.			trans	-85.8	61.3	169.7	-165.4	23.7	0	0	0	110.1	R693	R693-D698 IonicContact NH1-OD1 3.64Å
699	M	93.6	Very high	95.6	Very high	15 Å²	15	40.5 Å²	40.5	7%	0.074	22%	0.223	C	C	.	.			trans	-131	145.3	179.5	-70.8	-178.3	179.8	0	0	110.3	I95 Y108 L697 Q703 L704 L707	I95-M699 HydrophobicContact CD1-CE 3.93Å; Y108-M699 HydrophobicContact CE1-CE 4.15Å; Y108-M699 WeakPolarHBondContact OH-CE 3.48Å; L697-M699 HydrophobicContact CD2-SD 4.23Å; L697-M699 PolarHBondContact O-N 3.43Å; L697-M699 VanDerWaalsContact O-N 3.09Å; M699-Q703 VanDerWaalsContact CA-OE1 3.26Å; M699-Q703 HydrophobicContact CB-CB 4.08Å; M699-Q703 HydrophobicContact CG-CB 4.32Å; M699-Q703 HydrophobicContact SD-CB 4.46Å; M699-L704 HydrophobicContact CB-CD2 4.11Å; M699-L704 HydrophobicContact CB-CG 4.24Å; M699-L704 HydrophobicContact SD-CD2 4.19Å; M699-L707 HydrophobicContact CE-CD2 4.15Å; M699-L707 HydrophobicContact SD-CD2 3.72Å
700	D	94.6	Very high	95.9	Very high	64 Å²	64	39 Å²	39	34%	0.342	21%	0.207	S	C	.	.			trans	-80.6	170.3	166.3	74.6	30.1	0	0	0	111.5	K702 Q703 L704	D700-K702 VanDerWaalsContact C-N 3.28Å; D700-K702 PolarHBondContact O-N 2.96Å; D700-K702 WeakPolarHBondContact OD1-CA 3.27Å; D700-K702 WeakPolarHBondContact OD1-CB 3.31Å; D700-K702 PolarHBondContact OD1-N 3.34Å; D700-Q703 VanDerWaalsContact N-OE1 3.09Å; D700-Q703 PolarHBondContact O-N 3Å; D700-Q703 WeakPolarHBondContact OD1-CG 3.28Å; D700-Q703 PolarHBondContact OD1-N 3.06Å; D700-L704 WeakPolarHBondContact O-CG 3.3Å; D700-L704 PolarHBondContact O-N 3.39Å
701	H	96.6	Very high	96.2	Very high	13 Å²	13	31.7 Å²	31.7	6%	0.06	17%	0.173	C	C	.	.	H	α-helix	trans	-69.7	-23.5	-176.8	-68.9	87.8	0	0	0	114.1	H589 A591 Y681 E691 P692 L704 F705	H589-H701 AromaticContact CD2-NE2 3.56Å; A591-H701 HydrophobicContact CB-CB 3.94Å; A591-H701 WeakPolarHBondContact CB-O 3.38Å; Y681-H701 WeakPolarHBondContact OH-CB 3.5Å; E691-H701 PolarHBondContact O-CE1 3.09Å; P692-H701 PolarHBondContact O-CE1 3.39Å; P692-H701 VanDerWaalsContact O-CE1 3.23Å; P692-H701 PolarHBondContact O-NE2 2.72Å; P692-H701 VanDerWaalsContact O-NE2 3.09Å; H701-L704 PolarHBondContact O-N 2.55Å; H701-F705 PolarHBondContact O-N 2.9Å
702	K	98.2	Very high	96.5	Very high	78 Å²	78	30 Å²	30	34%	0.339	17%	0.165	S	C	.	.	H	α-helix	trans	-69.2	-41.4	174.2	-63.6	173.7	175.4	-178.9	0	109.8	Y678 L682 D700 F705 F706 A751	Y678-K702 HydrophobicContact CE2-CB 4.29Å; Y678-K702 HydrophobicContact CE2-CG 4.35Å; Y678-K702 WeakPolarHBondContact OH-CD 3.44Å; L682-K702 HydrophobicContact CD2-CG 4.48Å; D700-K702 VanDerWaalsContact C-N 3.28Å; D700-K702 PolarHBondContact O-N 2.96Å; D700-K702 WeakPolarHBondContact OD1-CA 3.27Å; D700-K702 WeakPolarHBondContact OD1-CB 3.31Å; D700-K702 PolarHBondContact OD1-N 3.34Å; K702-F705 WeakPolarHBondContact O-CB 3.32Å; K702-F705 PolarHBondContact O-N 3.27Å; K702-F706 WeakPolarHBondContact O-CD2 3.25Å; K702-F706 PolarHBondContact O-N 2.77Å; K702-A751 HydrophobicContact CB-CB 4.25Å
703	Q	98.5	Very high	96.7	Very high	41 Å²	41	29.2 Å²	29.2	19%	0.192	16%	0.158	C	C	.	.	H	α-helix	trans	-64.5	-41.7	172.6	-67.6	172.8	-29.7	0	0	111.6	M699 D700 F705 F706 L707 A751 F752	M699-Q703 VanDerWaalsContact CA-OE1 3.26Å; M699-Q703 HydrophobicContact CB-CB 4.08Å; M699-Q703 HydrophobicContact CG-CB 4.32Å; M699-Q703 HydrophobicContact SD-CB 4.46Å; D700-Q703 VanDerWaalsContact N-OE1 3.09Å; D700-Q703 PolarHBondContact O-N 3Å; D700-Q703 WeakPolarHBondContact OD1-CG 3.28Å; D700-Q703 PolarHBondContact OD1-N 3.06Å; Q703-F705 VanDerWaalsContact C-N 3.31Å; Q703-F705 PolarHBondContact O-N 2.95Å; Q703-F706 PolarHBondContact O-N 2.87Å; Q703-L707 WeakPolarHBondContact O-CB 3.3Å; Q703-L707 PolarHBondContact O-N 3.49Å; Q703-A751 HydrophobicContact CG-CB 4.31Å; Q703-A751 WeakPolarHBondContact CG-O 3.17Å; Q703-A751 PolarHBondContact NE2-O 2.87Å; Q703-F752 HydrophobicContact CB-CE1 4.2Å; Q703-F752 HydrophobicContact CB-CE2 4.21Å; Q703-F752 HydrophobicContact CB-CZ 3.73Å; Q703-F752 HydrophobicContact CG-CD1 4.46Å; Q703-F752 HydrophobicContact CG-CE1 4.07Å; Q703-F752 HydrophobicContact CG-CE2 4.12Å; Q703-F752 HydrophobicContact CG-CZ 3.88Å
704	L	98.4	Very high	96.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61.9	-35.9	176.2	-68.4	176.4	0	0	0	113	L91 A591 L592 L694 L697 M699 D700 H701 L707 N708	L91-L704 HydrophobicContact CD1-CD2 4.02Å; A591-L704 HydrophobicContact CB-CB 4.42Å; L592-L704 HydrophobicContact CD2-CB 4.23Å; L694-L704 HydrophobicContact CB-CD1 4.36Å; L694-L704 HydrophobicContact CD1-CD1 3.71Å; L694-L704 HydrophobicContact CD1-CD2 4Å; L694-L704 HydrophobicContact CD1-CG 4.48Å; L694-L704 HydrophobicContact CG-CD1 4.03Å; L697-L704 HydrophobicContact CD1-CD2 4Å; M699-L704 HydrophobicContact CB-CD2 4.11Å; M699-L704 HydrophobicContact CB-CG 4.24Å; M699-L704 HydrophobicContact SD-CD2 4.19Å; D700-L704 WeakPolarHBondContact O-CG 3.3Å; D700-L704 PolarHBondContact O-N 3.39Å; H701-L704 PolarHBondContact O-N 2.55Å; L704-L707 PolarHBondContact O-N 3.36Å; L704-N708 WeakPolarHBondContact O-CB 3.4Å; L704-N708 PolarHBondContact O-N 3.32Å
705	F	98.8	Very high	97	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-56.9	-54.1	173.4	171.1	-80.8	0	0	0	110.9	A591 F594 G595 V674 A677 Y678 Y681 H701 K702 Q703 L707 N708 F709	A591-F705 WeakPolarHBondContact O-CA 3.45Å; F594-F705 VanDerWaalsContact C-CE2 3.43Å; F594-F705 HydrophobicContact CB-CD2 3.95Å; F594-F705 HydrophobicContact CB-CE2 3.82Å; G595-F705 VanDerWaalsContact N-CD2 3.34Å; V674-F705 HydrophobicContact CG2-CE1 3.86Å; V674-F705 HydrophobicContact CG2-CZ 4.19Å; A677-F705 HydrophobicContact CB-CE2 4.07Å; A677-F705 HydrophobicContact CB-CZ 4.01Å; Y678-F705 AromaticContact CD2-CD1 3.6Å; Y678-F705 HydrophobicContact CD2-CD1 3.6Å; Y678-F705 HydrophobicContact CD2-CD2 4.26Å; Y678-F705 AromaticContact CD2-CE1 3.77Å; Y678-F705 HydrophobicContact CD2-CE1 3.77Å; Y678-F705 HydrophobicContact CD2-CE2 4.37Å; Y678-F705 AromaticContact CD2-CG 3.9Å; Y678-F705 HydrophobicContact CD2-CG 3.9Å; Y678-F705 HydrophobicContact CD2-CZ 4.16Å; Y678-F705 HydrophobicContact CE2-CD1 4.34Å; Y678-F705 HydrophobicContact CG-CD1 4.5Å; Y678-F705 HydrophobicContact CG-CE1 4.24Å; Y678-F705 HydrophobicContact CG-CZ 4.41Å; Y681-F705 HydrophobicContact CD1-CD2 4.47Å; Y681-F705 HydrophobicContact CG-CD2 4.45Å; H701-F705 PolarHBondContact O-N 2.9Å; K702-F705 WeakPolarHBondContact O-CB 3.32Å; K702-F705 PolarHBondContact O-N 3.27Å; Q703-F705 VanDerWaalsContact C-N 3.31Å; Q703-F705 PolarHBondContact O-N 2.95Å; F705-L707 PolarHBondContact O-N 3.4Å; F705-N708 PolarHBondContact O-N 2.99Å; F705-F709 WeakPolarHBondContact O-CB 3.33Å; F705-F709 PolarHBondContact O-N 3.28Å
706	F	98.9	Very high	97.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-68.6	-35.5	-178.1	-68.1	-61.6	0	0	0	112.3	F105 Y678 K702 Q703 F709 A710 L742 F745 A747 F748 A751 F752	F105-F706 HydrophobicContact CE1-CB 4.3Å; F105-F706 WeakPolarHBondContact CE1-O 2.87Å; F105-F706 HydrophobicContact CZ-CB 4.2Å; Y678-F706 HydrophobicContact CD2-CE1 4.44Å; Y678-F706 HydrophobicContact CD2-CE2 4.18Å; Y678-F706 AromaticContact CD2-CZ 3.8Å; Y678-F706 HydrophobicContact CD2-CZ 3.8Å; Y678-F706 AromaticContact CE2-CE2 3.73Å; Y678-F706 HydrophobicContact CE2-CE2 3.73Å; Y678-F706 AromaticContact CE2-CZ 3.77Å; Y678-F706 HydrophobicContact CE2-CZ 3.77Å; Y678-F706 HydrophobicContact CG-CZ 4.24Å; K702-F706 WeakPolarHBondContact O-CD2 3.25Å; K702-F706 PolarHBondContact O-N 2.77Å; Q703-F706 PolarHBondContact O-N 2.87Å; F706-F709 WeakPolarHBondContact O-CB 3.35Å; F706-F709 PolarHBondContact O-N 3.11Å; F706-A710 PolarHBondContact O-N 2.85Å; F706-L742 HydrophobicContact CD1-CD2 3.59Å; F706-L742 HydrophobicContact CE1-CD2 4.04Å; F706-F745 AromaticContact CE1-CD1 3.61Å; F706-F745 HydrophobicContact CE1-CD1 3.61Å; F706-F745 AromaticContact CE1-CE1 3.65Å; F706-F745 HydrophobicContact CE1-CE1 3.65Å; F706-F745 HydrophobicContact CZ-CD1 4.06Å; F706-F745 AromaticContact CZ-CE1 3.88Å; F706-F745 HydrophobicContact CZ-CE1 3.88Å; F706-A747 HydrophobicContact CZ-CB 4.17Å; F706-F748 HydrophobicContact CB-CD2 4.02Å; F706-F748 HydrophobicContact CD1-CB 4.07Å; F706-F748 HydrophobicContact CD1-CD2 4.08Å; F706-F748 HydrophobicContact CD2-CB 4.38Å; F706-F748 HydrophobicContact CD2-CD2 4.16Å; F706-F748 HydrophobicContact CE1-CB 3.83Å; F706-F748 HydrophobicContact CE2-CB 4.16Å; F706-F748 HydrophobicContact CG-CB 4.36Å; F706-F748 AromaticContact CG-CD2 3.82Å; F706-F748 HydrophobicContact CG-CD2 3.82Å; F706-F748 HydrophobicContact CZ-CB 3.88Å; F706-A751 HydrophobicContact CD2-CB 4.05Å; F706-A751 HydrophobicContact CE2-CB 3.93Å; F706-F752 HydrophobicContact CB-CE2 3.88Å; F706-F752 HydrophobicContact CD2-CE2 4.16Å; F706-F752 HydrophobicContact CG-CE2 4.4Å
707	L	98.9	Very high	97.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-63.3	-45.2	175.3	-176.8	66.9	0	0	0	111.2	L91 I95 Y108 A109 M699 Q703 L704 F705 A710 Q711	L91-L707 HydrophobicContact CB-CD2 4.16Å; L91-L707 HydrophobicContact CD2-CD2 3.75Å; L91-L707 HydrophobicContact CD2-CG 3.92Å; L91-L707 HydrophobicContact CG-CD2 4.38Å; I95-L707 HydrophobicContact CD1-CD1 4.27Å; I95-L707 HydrophobicContact CD1-CD2 3.8Å; I95-L707 HydrophobicContact CG1-CD1 3.96Å; I95-L707 HydrophobicContact CG1-CD2 4.32Å; Y108-L707 HydrophobicContact CE1-CD1 4.41Å; A109-L707 HydrophobicContact CB-CD1 3.79Å; M699-L707 HydrophobicContact CE-CD2 4.15Å; M699-L707 HydrophobicContact SD-CD2 3.72Å; Q703-L707 WeakPolarHBondContact O-CB 3.3Å; Q703-L707 PolarHBondContact O-N 3.49Å; L704-L707 PolarHBondContact O-N 3.36Å; F705-L707 PolarHBondContact O-N 3.4Å; L707-A710 PolarHBondContact O-N 2.94Å; L707-Q711 HydrophobicContact CD1-CG 4.45Å; L707-Q711 WeakPolarHBondContact O-CB 3.32Å; L707-Q711 WeakPolarHBondContact O-CG 3.19Å; L707-Q711 PolarHBondContact O-N 3.43Å
708	N	98.8	Very high	97.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-65.8	-41.3	176.5	-160.9	57.2	0	0	0	111.6	R90 P582 L592 L704 F705 A710 Q711 V712	R90-N708 PolarHBondContact NH2-OD1 3.15Å; P582-N708 PolarHBondContact O-ND2 3.25Å; P582-N708 VanDerWaalsContact O-ND2 3.12Å; L592-N708 HydrophobicContact CB-CB 4.39Å; L592-N708 HydrophobicContact CD2-CB 3.7Å; L592-N708 PolarHBondContact O-ND2 2.89Å; L704-N708 WeakPolarHBondContact O-CB 3.4Å; L704-N708 PolarHBondContact O-N 3.32Å; F705-N708 PolarHBondContact O-N 2.99Å; N708-A710 VanDerWaalsContact C-N 3.32Å; N708-A710 PolarHBondContact O-N 2.87Å; N708-Q711 PolarHBondContact O-N 3.25Å; N708-Q711 VanDerWaalsContact O-N 3.14Å; N708-V712 WeakPolarHBondContact O-CG1 3.32Å; N708-V712 PolarHBondContact O-N 3.38Å
709	F	98.8	Very high	97.8	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-53.7	-47.6	172.5	162.6	-94	0	0	0	111.7	G595 M599 V674 F705 F706 V712 W713 V738 L742	G595-F709 WeakPolarHBondContact O-CA 3.47Å; G595-F709 WeakPolarHBondContact O-CB 3.4Å; M599-F709 HydrophobicContact CB-CD2 4.25Å; M599-F709 HydrophobicContact CE-CD2 3.53Å; M599-F709 HydrophobicContact CE-CE2 3.56Å; M599-F709 HydrophobicContact CG-CD2 3.68Å; M599-F709 HydrophobicContact CG-CE2 3.78Å; M599-F709 HydrophobicContact SD-CD2 4.26Å; M599-F709 HydrophobicContact SD-CE2 4.04Å; V674-F709 HydrophobicContact CB-CD2 4.24Å; V674-F709 HydrophobicContact CB-CE2 3.98Å; V674-F709 HydrophobicContact CG2-CD1 4.47Å; V674-F709 HydrophobicContact CG2-CD2 3.76Å; V674-F709 HydrophobicContact CG2-CE2 3.91Å; V674-F709 HydrophobicContact CG2-CG 4.05Å; V674-F709 HydrophobicContact CG2-CZ 4.36Å; F705-F709 WeakPolarHBondContact O-CB 3.33Å; F705-F709 PolarHBondContact O-N 3.28Å; F706-F709 WeakPolarHBondContact O-CB 3.35Å; F706-F709 PolarHBondContact O-N 3.11Å; F709-V712 WeakPolarHBondContact O-CG2 3.4Å; F709-W713 AromaticContact CE2-NE1 3.82Å; F709-V738 HydrophobicContact CE1-CB 4.47Å; F709-V738 HydrophobicContact CE1-CG1 4.31Å; F709-V738 HydrophobicContact CE1-CG2 4.41Å; F709-L742 HydrophobicContact CD1-CD1 4.02Å; F709-L742 HydrophobicContact CD1-CD2 3.87Å; F709-L742 HydrophobicContact CD1-CG 4.11Å; F709-L742 HydrophobicContact CE1-CD1 3.93Å; F709-L742 HydrophobicContact CE1-CD2 3.75Å; F709-L742 HydrophobicContact CE1-CG 3.68Å
710	A	98.9	Very high	97.9	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-67.6	-39.2	177.9	0	0	0	0	0	111.7	F105 A109 F706 L707 N708 V712 W713 V738	F105-A710 HydrophobicContact CD1-CB 3.8Å; F105-A710 HydrophobicContact CE1-CB 3.61Å; A109-A710 HydrophobicContact CB-CB 3.51Å; F706-A710 PolarHBondContact O-N 2.85Å; L707-A710 PolarHBondContact O-N 2.94Å; N708-A710 VanDerWaalsContact C-N 3.32Å; N708-A710 PolarHBondContact O-N 2.87Å; A710-V712 VanDerWaalsContact C-N 3.34Å; A710-V712 PolarHBondContact O-N 2.85Å; A710-W713 PolarHBondContact O-N 3.48Å; A710-W713 VanDerWaalsContact O-N 3.1Å; A710-V738 HydrophobicContact CB-CG1 3.7Å; A710-V738 HydrophobicContact CB-CG2 4.24Å
711	Q	98.8	Very high	98	Very high	3 Å²	3	19.5 Å²	19.5	1%	0.014	10%	0.097	C	C	.	.	H	α-helix	trans	-71.4	-21.8	-175	-74.7	-169.1	14.6	0	0	114.9	L91 N94 A109 V128 L707 N708 W713 C714	L91-Q711 PolarHBondContact O-NE2 2.03Å; N94-Q711 HydrophobicContact CB-CG 4.32Å; N94-Q711 PolarHBondContact ND2-OE1 3Å; N94-Q711 VanDerWaalsContact ND2-OE1 3.15Å; A109-Q711 HydrophobicContact CB-CG 4.35Å; A109-Q711 WeakPolarHBondContact O-CG 3.47Å; A109-Q711 PolarHBondContact O-NE2 3Å; A109-Q711 VanDerWaalsContact O-NE2 3.14Å; V128-Q711 WeakPolarHBondContact CG2-O 3.35Å; L707-Q711 HydrophobicContact CD1-CG 4.45Å; L707-Q711 WeakPolarHBondContact O-CB 3.32Å; L707-Q711 WeakPolarHBondContact O-CG 3.19Å; L707-Q711 PolarHBondContact O-N 3.43Å; N708-Q711 PolarHBondContact O-N 3.25Å; N708-Q711 VanDerWaalsContact O-N 3.14Å; Q711-W713 PolarHBondContact O-N 3.13Å; Q711-C714 VanDerWaalsContact CA-SG 3.55Å; Q711-C714 PolarHBondContact O-N 3.01Å
712	V	98.3	Very high	98	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-22.1	171.5	-49.5	0	0	0	0	112.1	F129 P582 F583 M599 N708 F709 A710	F129-V712 WeakPolarHBondContact CE2-O 3.48Å; P582-V712 HydrophobicContact CG-CG1 4.18Å; F583-V712 HydrophobicContact CD1-CB 4.31Å; F583-V712 HydrophobicContact CD1-CG1 4.01Å; F583-V712 HydrophobicContact CE1-CB 3.65Å; F583-V712 HydrophobicContact CE1-CG1 3.88Å; F583-V712 HydrophobicContact CE1-CG2 4.07Å; F583-V712 HydrophobicContact CZ-CB 4.07Å; M599-V712 HydrophobicContact CE-CG2 4.08Å; N708-V712 WeakPolarHBondContact O-CG1 3.32Å; N708-V712 PolarHBondContact O-N 3.38Å; F709-V712 WeakPolarHBondContact O-CG2 3.4Å; A710-V712 VanDerWaalsContact C-N 3.34Å; A710-V712 PolarHBondContact O-N 2.85Å
713	W	98.6	Very high	97.9	Very high	13 Å²	13	15.7 Å²	15.7	5%	0.049	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	3.1	-179.6	-54.7	112	0	0	0	113.7	Y106 F129 M599 F709 A710 Q711 G715 L734 V738	Y106-W713 PolarHBondContact OH-O 3.28Å; F129-W713 AromaticContact CE2-CE3 3.64Å; F129-W713 HydrophobicContact CE2-CE3 3.64Å; F129-W713 HydrophobicContact CE2-CH2 4.38Å; F129-W713 AromaticContact CE2-CZ3 3.55Å; F129-W713 HydrophobicContact CE2-CZ3 3.55Å; F129-W713 HydrophobicContact CZ-CE3 4.29Å; F129-W713 HydrophobicContact CZ-CH2 4.22Å; F129-W713 AromaticContact CZ-CZ3 3.76Å; F129-W713 HydrophobicContact CZ-CZ3 3.76Å; M599-W713 HydrophobicContact CE-CZ2 3.49Å; M599-W713 VanDerWaalsContact CE-CZ2 3.49Å; M599-W713 HydrophobicContact SD-CZ2 4.32Å; F709-W713 AromaticContact CE2-NE1 3.82Å; A710-W713 PolarHBondContact O-N 3.48Å; A710-W713 VanDerWaalsContact O-N 3.1Å; Q711-W713 PolarHBondContact O-N 3.13Å; W713-G715 PolarHBondContact O-N 2.95Å; W713-G715 VanDerWaalsContact O-N 3.1Å; W713-L734 HydrophobicContact CB-CB 4.38Å; W713-L734 HydrophobicContact CB-CD2 4.32Å; W713-L734 HydrophobicContact CD2-CD2 4.48Å; W713-L734 HydrophobicContact CE3-CD2 3.59Å; W713-L734 HydrophobicContact CZ3-CD2 4.35Å; W713-L734 VanDerWaalsContact O-CB 3.3Å; W713-L734 WeakPolarHBondContact O-CB 3.44Å; W713-L734 WeakPolarHBondContact O-CD1 3.33Å; W713-V738 HydrophobicContact CB-CG2 3.75Å; W713-V738 VanDerWaalsContact CD1-CG2 3.5Å; W713-V738 HydrophobicContact CG-CG2 3.91Å
714	C	98.8	Very high	97.7	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.076	C	C	.	.			trans	-59.1	123.2	178.1	-61.9	0	0	0	0	110.7	C110 W113 S127 V128 Q711	C110-C714 WeakPolarHBondContact CA-SG 3.35Å; C110-C714 HydrophobicContact CB-CB 3.77Å; C110-C714 WeakPolarHBondContact CB-SG 3.27Å; C110-C714 WeakPolarHBondContact SG-CA 3.2Å; C110-C714 WeakPolarHBondContact SG-CB 3.33Å; C110-C714 CovalentContact SG-SG 2.04Å; C110-C714 PolarHBondContact SG-SG 3.45Å; W113-C714 HydrophobicContact CB-CB 4.2Å; W113-C714 HydrophobicContact CD2-CB 3.83Å; W113-C714 HydrophobicContact CE3-CB 4.09Å; W113-C714 HydrophobicContact CG-CB 3.86Å; S127-C714 CarbonylContact C-O 3.27Å; S127-C714 VanDerWaalsContact CA-O 3.23Å; S127-C714 WeakPolarHBondContact CA-O 3.3Å; S127-C714 WeakPolarHBondContact CB-O 3.32Å; V128-C714 HydrophobicContact CG2-CB 4.18Å; V128-C714 PolarHBondContact N-O 3.4Å; Q711-C714 VanDerWaalsContact CA-SG 3.55Å; Q711-C714 PolarHBondContact O-N 3.01Å
715	G	97.9	Very high	97.6	Very high	5 Å²	5	14.9 Å²	14.9	5%	0.052	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.7	164.5	-179.6	0	0	0	0	0	114.5	Y106 W113 L114 H126 W713	Y106-G715 PolarHBondContact OH-N 2.99Å; Y106-G715 PolarHBondContact OH-O 2.91Å; W113-G715 VanDerWaalsContact CZ3-CA 3.41Å; L114-G715 WeakPolarHBondContact CD2-O 3.42Å; H126-G715 CarbonylContact O-C 3.56Å; H126-G715 WeakPolarHBondContact O-CA 3.14Å; W713-G715 PolarHBondContact O-N 2.95Å; W713-G715 VanDerWaalsContact O-N 3.1Å
716	A	97.3	Very high	97.4	Very high	25 Å²	25	15.8 Å²	15.8	21%	0.207	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	150.6	178.8	0	0	0	0	0	110.8	L114 I119 R125 H126	L114-A716 HydrophobicContact CD2-CB 4.1Å; I119-A716 HydrophobicContact CD1-CB 3.91Å; I119-A716 HydrophobicContact CG1-CB 3.94Å; R125-A716 CarbonylContact C-O 3.27Å; R125-A716 VanDerWaalsContact CA-O 3.3Å; R125-A716 WeakPolarHBondContact CA-O 3.36Å; R125-A716 VanDerWaalsContact CG-O 3.3Å; R125-A716 WeakPolarHBondContact CG-O 3.44Å; H126-A716 PolarHBondContact N-O 2.91Å; H126-A716 PolarHBondContact O-N 3.26Å
717	Y	98	Very high	97.1	Very high	18 Å²	18	19 Å²	19	7%	0.071	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	145.5	-178.6	-68.3	-106.9	0	0	0	110.6	R125 W650 Y721 L734	R125-Y717 HydrophobicContact CB-CD1 4.16Å; R125-Y717 HydrophobicContact CB-CE1 4.38Å; R125-Y717 HydrophobicContact CG-CD1 3.91Å; R125-Y717 HydrophobicContact CG-CD2 4.24Å; R125-Y717 HydrophobicContact CG-CE1 3.86Å; R125-Y717 HydrophobicContact CG-CE2 4.2Å; R125-Y717 HydrophobicContact CG-CG 4.1Å; W650-Y717 AromaticContact CH2-CD1 3.83Å; W650-Y717 HydrophobicContact CH2-CD1 3.83Å; W650-Y717 HydrophobicContact CH2-CD2 4.25Å; W650-Y717 HydrophobicContact CH2-CE1 4.01Å; W650-Y717 HydrophobicContact CH2-CE2 4.43Å; W650-Y717 AromaticContact CH2-CG 3.95Å; W650-Y717 HydrophobicContact CH2-CG 3.95Å; W650-Y717 HydrophobicContact CZ2-CD1 4.14Å; W650-Y717 AromaticContact CZ2-CD2 3.77Å; W650-Y717 HydrophobicContact CZ2-CD2 3.77Å; W650-Y717 HydrophobicContact CZ2-CE1 4.48Å; W650-Y717 HydrophobicContact CZ2-CE2 4.14Å; W650-Y717 AromaticContact CZ2-CG 3.77Å; W650-Y717 HydrophobicContact CZ2-CG 3.77Å; Y717-Y721 AromaticContact CD1-CD1 3.69Å; Y717-Y721 HydrophobicContact CD1-CD1 3.69Å; Y717-Y721 AromaticContact CD1-CE1 3.97Å; Y717-Y721 HydrophobicContact CD1-CE1 3.97Å; Y717-Y721 HydrophobicContact CE1-CD1 4.22Å; Y717-Y721 HydrophobicContact CE1-CE1 4.02Å; Y717-L734 HydrophobicContact CE2-CB 4.22Å; Y717-L734 HydrophobicContact CE2-CD1 3.68Å; Y717-L734 HydrophobicContact CE2-CG 3.78Å; Y717-L734 WeakPolarHBondContact OH-CG 3.27Å
718	R	97.2	Very high	96.9	Very high	39 Å²	39	21.7 Å²	21.7	15%	0.147	11%	0.114	C	C	.	.			trans	-73.4	144.8	163.8	-66.5	-172.2	-180	-93	-2.5	109.7	I119 P120 E121 S123 S124 G418 E720 Y721 A722	I119-R718 HydrophobicContact CD1-CG 3.94Å; I119-R718 HydrophobicContact CG2-CG 4.12Å; I119-R718 PolarHBondContact O-NH2 3.15Å; I119-R718 VanDerWaalsContact O-NH2 3.1Å; P120-R718 PolarHBondContact O-NH2 3.22Å; E121-R718 IonicContact OE1-CZ 2.76Å; E121-R718 IonicContact OE1-NH1 3.95Å; E121-R718 IonicContact OE1-NH2 3.7Å; E121-R718 PolarHBondContact OE1-NH2 3.38Å; S123-R718 WeakPolarHBondContact O-CD 3.44Å; S123-R718 PolarHBondContact O-NE 2.94Å; S124-R718 PolarHBondContact O-N 2.82Å; G418-R718 WeakPolarHBondContact O-CD 3.45Å; R718-E720 VanDerWaalsContact C-N 3.27Å; R718-E720 PolarHBondContact O-N 3.3Å; R718-Y721 PolarHBondContact O-N 2.96Å; R718-Y721 VanDerWaalsContact O-N 3.1Å; R718-A722 PolarHBondContact O-N 2.78Å
719	P	96.2	Very high	96.7	Very high	69 Å²	69	23.6 Å²	23.6	45%	0.448	12%	0.124	S	C	.	.	H	α-helix	trans	-57.4	-36.8	-179.3	-26.7	35.5	0	0	0	114.3	L652 A722 S723	L652-P719 WeakPolarHBondContact O-CA 3.23Å; P719-A722 PolarHBondContact O-N 2.78Å; P719-S723 WeakPolarHBondContact O-CB 3.48Å; P719-S723 PolarHBondContact O-N 2.54Å; P719-S723 PolarHBondContact O-OG 2.97Å
720	E	95.8	Very high	96.5	Very high	59 Å²	59	26.2 Å²	26.2	28%	0.276	14%	0.142	S	C	.	.	H	α-helix	trans	-61.4	-46.8	176.6	-62.2	83.6	175.3	0	0	110.7	L416 R718 S723 Q724	L416-E720 CarbonylContact O-C 3.43Å; R718-E720 VanDerWaalsContact C-N 3.27Å; R718-E720 PolarHBondContact O-N 3.3Å; E720-S723 WeakPolarHBondContact O-CB 3.46Å; E720-S723 PolarHBondContact O-N 2.69Å; E720-Q724 PolarHBondContact O-N 2.75Å
721	Y	97	Very high	96.5	Very high	46 Å²	46	28.9 Å²	28.9	18%	0.18	15%	0.154	C	C	.	.	H	α-helix	trans	-72.5	-34.8	179	-172	-122	0	0	0	112.8	S124 R125 Y417 Y717 R718 S723 Q724 S725	S124-Y721 VanDerWaalsContact CB-CG 3.4Å; R125-Y721 HydrophobicContact CB-CD1 3.92Å; R125-Y721 HydrophobicContact CB-CE1 3.8Å; Y417-Y721 AromaticContact CD1-CD2 3.83Å; Y417-Y721 HydrophobicContact CD1-CD2 3.83Å; Y417-Y721 HydrophobicContact CD1-CE2 4.25Å; Y417-Y721 HydrophobicContact CE1-CD2 4.33Å; Y417-Y721 HydrophobicContact CE1-CE2 4.38Å; Y717-Y721 AromaticContact CD1-CD1 3.69Å; Y717-Y721 HydrophobicContact CD1-CD1 3.69Å; Y717-Y721 AromaticContact CD1-CE1 3.97Å; Y717-Y721 HydrophobicContact CD1-CE1 3.97Å; Y717-Y721 HydrophobicContact CE1-CD1 4.22Å; Y717-Y721 HydrophobicContact CE1-CE1 4.02Å; R718-Y721 PolarHBondContact O-N 2.96Å; R718-Y721 VanDerWaalsContact O-N 3.1Å; Y721-S723 VanDerWaalsContact C-N 3.29Å; Y721-S723 PolarHBondContact O-N 2.71Å; Y721-Q724 HydrophobicContact CD2-CB 4.46Å; Y721-Q724 CarbonylContact O-C 3.51Å; Y721-Q724 WeakPolarHBondContact O-CB 3.4Å; Y721-Q724 PolarHBondContact O-N 3.2Å; Y721-Q724 VanDerWaalsContact O-N 3.12Å; Y721-S725 WeakPolarHBondContact O-CB 3.36Å; Y721-S725 PolarHBondContact O-N 2.95Å; Y721-S725 PolarHBondContact O-OG 3.42Å
722	A	96.9	Very high	96.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-60.5	-40.5	171.7	0	0	0	0	0	111.7	W650 L652 A653 R718 P719 Q724 I726	W650-A722 HydrophobicContact CD2-CB 4.42Å; W650-A722 HydrophobicContact CE3-CB 4.19Å; W650-A722 HydrophobicContact CH2-CB 3.54Å; W650-A722 HydrophobicContact CZ2-CB 3.79Å; W650-A722 HydrophobicContact CZ3-CB 3.75Å; W650-A722 WeakPolarHBondContact CZ3-O 3.42Å; L652-A722 HydrophobicContact CB-CB 3.75Å; A653-A722 HydrophobicContact CB-CB 4.22Å; R718-A722 PolarHBondContact O-N 2.78Å; P719-A722 PolarHBondContact O-N 2.78Å; A722-Q724 PolarHBondContact O-N 3.06Å; A722-I726 WeakPolarHBondContact O-CB 3.47Å; A722-I726 WeakPolarHBondContact O-CG2 3.5Å; A722-I726 PolarHBondContact O-N 2.78Å; A722-I726 VanDerWaalsContact O-N 3.12Å
723	S	94.8	Very high	96.5	Very high	11 Å²	11	29.2 Å²	29.2	8%	0.077	16%	0.157	C	C	.	.	H	α-helix	trans	-66.2	-27.4	175.6	-57.2	0	0	0	0	113.1	Y260 P719 E720 Y721	Y260-S723 PolarHBondContact OH-O 3.18Å; P719-S723 WeakPolarHBondContact O-CB 3.48Å; P719-S723 PolarHBondContact O-N 2.54Å; P719-S723 PolarHBondContact O-OG 2.97Å; E720-S723 WeakPolarHBondContact O-CB 3.46Å; E720-S723 PolarHBondContact O-N 2.69Å; Y721-S723 VanDerWaalsContact C-N 3.29Å; Y721-S723 PolarHBondContact O-N 2.71Å
724	Q	94.8	Very high	96.5	Very high	18 Å²	18	28.9 Å²	28.9	8%	0.084	16%	0.156	C	C	.	.	H	α-helix	trans	-80.1	-54	175.4	-174.9	-84.8	-21	0	0	111.2	P249 Y253 E720 Y721 A722 I726 K727 T728	P249-Q724 HydrophobicContact CB-CG 3.88Å; P249-Q724 HydrophobicContact CG-CG 3.83Å; Y253-Q724 WeakPolarHBondContact OH-CA 3.39Å; Y253-Q724 WeakPolarHBondContact OH-CB 3.48Å; Y253-Q724 WeakPolarHBondContact OH-CG 3.42Å; E720-Q724 PolarHBondContact O-N 2.75Å; Y721-Q724 HydrophobicContact CD2-CB 4.46Å; Y721-Q724 CarbonylContact O-C 3.51Å; Y721-Q724 WeakPolarHBondContact O-CB 3.4Å; Y721-Q724 PolarHBondContact O-N 3.2Å; Y721-Q724 VanDerWaalsContact O-N 3.12Å; A722-Q724 PolarHBondContact O-N 3.06Å; Q724-I726 VanDerWaalsContact C-N 3.3Å; Q724-I726 PolarHBondContact O-N 3.2Å; Q724-K727 PolarHBondContact O-N 3.21Å; Q724-T728 PolarHBondContact NE2-OG1 3.47Å; Q724-T728 PolarHBondContact O-N 2.78Å; Q724-T728 PolarHBondContact O-OG1 3.18Å
725	S	96.1	Very high	96.5	Very high	6 Å²	6	31.4 Å²	31.4	4%	0.042	17%	0.168	C	C	.	.	H	α-helix	trans	-65.5	-33.7	-172.5	72.6	0	0	0	0	111.7	W650 Y721 K727 T728 D729	W650-S725 WeakPolarHBondContact CZ3-OG 3.41Å; Y721-S725 WeakPolarHBondContact O-CB 3.36Å; Y721-S725 PolarHBondContact O-N 2.95Å; Y721-S725 PolarHBondContact O-OG 3.42Å; S725-K727 PolarHBondContact O-N 3.18Å; S725-T728 PolarHBondContact O-N 3.27Å; S725-T728 VanDerWaalsContact O-N 3.12Å; S725-D729 VanDerWaalsContact O-CB 3.23Å; S725-D729 WeakPolarHBondContact O-CB 3.48Å; S725-D729 PolarHBondContact O-N 3.4Å
726	I	95.1	Very high	96.5	Very high	20 Å²	20	32 Å²	32	10%	0.103	17%	0.169	C	C	.	.	H	α-helix	trans	-60.6	-17	175.9	-155.3	176.7	0	0	0	113.5	W650 A653 Q656 N657 A722 Q724	W650-I726 HydrophobicContact CB-CD1 4.44Å; W650-I726 HydrophobicContact CE3-CB 4.17Å; W650-I726 HydrophobicContact CE3-CD1 4.12Å; W650-I726 HydrophobicContact CE3-CG1 4.24Å; W650-I726 HydrophobicContact CZ3-CB 4.21Å; A653-I726 HydrophobicContact CB-CB 4.36Å; A653-I726 HydrophobicContact CB-CD1 3.85Å; A653-I726 HydrophobicContact CB-CG2 4.18Å; Q656-I726 HydrophobicContact CB-CD1 3.66Å; N657-I726 WeakPolarHBondContact O-CD1 3.25Å; A722-I726 WeakPolarHBondContact O-CB 3.47Å; A722-I726 WeakPolarHBondContact O-CG2 3.5Å; A722-I726 PolarHBondContact O-N 2.78Å; A722-I726 VanDerWaalsContact O-N 3.12Å; Q724-I726 VanDerWaalsContact C-N 3.3Å; Q724-I726 PolarHBondContact O-N 3.2Å
727	K	92.7	Very high	96.6	Very high	67 Å²	67	31.6 Å²	31.6	29%	0.291	16%	0.162	S	C	.	.	H	α-helix	trans	-105.5	-15	177.9	-61.9	-57.2	-177.2	178.8	0	114.2	D252 Y260 Q724 S725	D252-K727 HydrophobicContact CB-CG 4.44Å; D252-K727 IonicContact OD1-NZ 2.75Å; Y260-K727 HydrophobicContact CE1-CG 4.45Å; Y260-K727 WeakPolarHBondContact OH-CE 3.29Å; Q724-K727 PolarHBondContact O-N 3.21Å; S725-K727 PolarHBondContact O-N 3.18Å
728	T	93.4	Very high	96.6	Very high	57 Å²	57	30.8 Å²	30.8	35%	0.35	16%	0.159	S	C	.	.	H	α-helix	trans	-126.3	-25.2	-169.8	62.9	0	0	0	0	114.3	P249 Q724 S725	P249-T728 HydrophobicContact CB-CG2 3.79Å; P249-T728 VanDerWaalsContact O-CG2 3.25Å; P249-T728 WeakPolarHBondContact O-CG2 3.44Å; Q724-T728 PolarHBondContact NE2-OG1 3.47Å; Q724-T728 PolarHBondContact O-N 2.78Å; Q724-T728 PolarHBondContact O-OG1 3.18Å; S725-T728 PolarHBondContact O-N 3.27Å; S725-T728 VanDerWaalsContact O-N 3.12Å
729	D	95.4	Very high	96.7	Very high	40 Å²	40	29.7 Å²	29.7	21%	0.214	16%	0.155	C	C	.	.			trans	-85.5	127	179.8	-160.1	-12.8	0	0	0	108.7	S725 H731	S725-D729 VanDerWaalsContact O-CB 3.23Å; S725-D729 WeakPolarHBondContact O-CB 3.48Å; S725-D729 PolarHBondContact O-N 3.4Å; D729-H731 PolarHBondContact O-N 2.91Å; D729-H731 WeakPolarHBondContact OD1-CB 3.3Å; D729-H731 IonicContact OD1-CE1 3.16Å; D729-H731 IonicContact OD1-CG 2.72Å; D729-H731 PolarHBondContact OD1-N 3.12Å; D729-H731 IonicContact OD1-ND1 2.67Å; D729-H731 PolarHBondContact OD1-ND1 3.29Å
730	S	95.7	Very high	96.8	Very high	54 Å²	54	26.4 Å²	26.4	38%	0.378	13%	0.134	S	C	.	.	S	Bend	trans	-71.4	-15.2	171.1	54.3	0	0	0	0	111.4	T663 E666	T663-S730 WeakPolarHBondContact CA-O 3.46Å; T663-S730 WeakPolarHBondContact CB-O 3.32Å; T663-S730 WeakPolarHBondContact CG2-O 3.42Å; E666-S730 WeakPolarHBondContact CG-O 3.45Å
731	H	98.1	Very high	96.9	Very high	56 Å²	56	23.6 Å²	23.6	26%	0.259	12%	0.121	S	C	.	.	S	Bend	trans	-86.2	142	177.4	-51.7	89.9	0	0	0	111.3	E666 D729 R737	E666-H731 VanDerWaalsContact CD-NE2 3.34Å; E666-H731 HydrophobicContact CG-CB 4.48Å; E666-H731 VanDerWaalsContact CG-CD2 3.46Å; E666-H731 WeakPolarHBondContact CG-CD2 3.42Å; E666-H731 IonicContact OE1-CD2 3.69Å; E666-H731 IonicContact OE1-NE2 2.98Å; E666-H731 IonicContact OE2-CD2 2.74Å; E666-H731 PolarHBondContact OE2-CD2 2.9Å; E666-H731 IonicContact OE2-NE2 3.69Å; E666-H731 PolarHBondContact OE2-NE2 3.36Å; E666-H731 VanDerWaalsContact OE2-NE2 3.17Å; D729-H731 PolarHBondContact O-N 2.91Å; D729-H731 WeakPolarHBondContact OD1-CB 3.3Å; D729-H731 IonicContact OD1-CE1 3.16Å; D729-H731 IonicContact OD1-CG 2.72Å; D729-H731 PolarHBondContact OD1-N 3.12Å; D729-H731 IonicContact OD1-ND1 2.67Å; D729-H731 PolarHBondContact OD1-ND1 3.29Å; H731-R737 PolarHBondContact CD2-NH1 3.21Å
732	S	98.6	Very high	97	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.014	11%	0.112	C	C	.	.	P	Polyproline II helix	trans	-59.2	149	163.4	-75.5	0	0	0	0	110.8	Y645 N667 R737	Y645-S732 VanDerWaalsContact CD1-OG 3.23Å; Y645-S732 WeakPolarHBondContact CD1-OG 3.42Å; N667-S732 WeakPolarHBondContact OD1-CB 3.48Å; N667-S732 PolarHBondContact OD1-OG 2.83Å; S732-R737 WeakPolarHBondContact O-CD 3.49Å; S732-R737 VanDerWaalsContact O-CG 3.31Å; S732-R737 WeakPolarHBondContact O-CG 3.24Å
733	P	98.4	Very high	97.1	Very high	8 Å²	8	22.9 Å²	22.9	5%	0.052	12%	0.119	C	C	.	.	P	Polyproline II helix	trans	-51.9	146.3	171.2	-26.3	33.8	0	0	0	112	W650 V658 E735 Y736 R737	W650-P733 HydrophobicContact CD2-CB 4.06Å; W650-P733 HydrophobicContact CD2-CG 3.66Å; W650-P733 HydrophobicContact CE3-CB 4.2Å; W650-P733 HydrophobicContact CE3-CG 3.43Å; W650-P733 VanDerWaalsContact CE3-CG 3.43Å; W650-P733 HydrophobicContact CG-CG 4.37Å; W650-P733 HydrophobicContact CH2-CB 3.88Å; W650-P733 HydrophobicContact CH2-CG 3.82Å; W650-P733 HydrophobicContact CZ2-CB 3.71Å; W650-P733 HydrophobicContact CZ2-CG 4.02Å; W650-P733 HydrophobicContact CZ3-CB 4.12Å; W650-P733 HydrophobicContact CZ3-CG 3.53Å; V658-P733 HydrophobicContact CG2-CG 4.05Å; P733-E735 PolarHBondContact O-N 3.1Å; P733-Y736 HydrophobicContact CB-CD2 3.85Å; P733-Y736 HydrophobicContact CB-CE2 4.37Å; P733-Y736 HydrophobicContact CG-CD2 3.84Å; P733-Y736 HydrophobicContact CG-CE2 4.3Å; P733-Y736 PolarHBondContact O-N 3.13Å; P733-R737 PolarHBondContact O-N 3.29Å; P733-R737 VanDerWaalsContact O-N 3.12Å
734	L	98.3	Very high	97.3	Very high	6 Å²	6	22.4 Å²	22.4	3%	0.031	12%	0.116	C	C	.	.	H	α-helix	trans	-46.3	-44.3	-173.1	-66.1	171.5	0	0	0	114.2	W713 Y717 Y736 R737 V738	W713-L734 HydrophobicContact CB-CB 4.38Å; W713-L734 HydrophobicContact CB-CD2 4.32Å; W713-L734 HydrophobicContact CD2-CD2 4.48Å; W713-L734 HydrophobicContact CE3-CD2 3.59Å; W713-L734 HydrophobicContact CZ3-CD2 4.35Å; W713-L734 VanDerWaalsContact O-CB 3.3Å; W713-L734 WeakPolarHBondContact O-CB 3.44Å; W713-L734 WeakPolarHBondContact O-CD1 3.33Å; Y717-L734 HydrophobicContact CE2-CB 4.22Å; Y717-L734 HydrophobicContact CE2-CD1 3.68Å; Y717-L734 HydrophobicContact CE2-CG 3.78Å; Y717-L734 WeakPolarHBondContact OH-CG 3.27Å; L734-Y736 PolarHBondContact O-N 3.01Å; L734-R737 PolarHBondContact O-N 3.08Å; L734-V738 PolarHBondContact O-N 3.39Å
735	E	98.1	Very high	97.5	Very high	53 Å²	53	22.1 Å²	22.1	25%	0.248	11%	0.114	C	C	.	.	H	α-helix	trans	-58.9	-46.9	177.1	175.3	174	-164.9	0	0	112	N104 Y106 P733 R737 V738 L739	N104-E735 PolarHBondContact ND2-OE1 3.28Å; Y106-E735 HydrophobicContact CD1-CB 3.73Å; Y106-E735 HydrophobicContact CD1-CG 3.62Å; Y106-E735 HydrophobicContact CD2-CB 4.31Å; Y106-E735 HydrophobicContact CE1-CB 3.87Å; Y106-E735 HydrophobicContact CE1-CG 4.24Å; Y106-E735 HydrophobicContact CE2-CB 4.43Å; Y106-E735 HydrophobicContact CG-CB 3.96Å; Y106-E735 HydrophobicContact CG-CG 3.81Å; P733-E735 PolarHBondContact O-N 3.1Å; E735-R737 PolarHBondContact O-N 3.44Å; E735-V738 WeakPolarHBondContact O-CB 3.4Å; E735-V738 PolarHBondContact O-N 3.03Å; E735-L739 HydrophobicContact CG-CD1 3.63Å; E735-L739 HydrophobicContact CG-CG 4.1Å; E735-L739 WeakPolarHBondContact O-CG 3.16Å; E735-L739 PolarHBondContact O-N 3.28Å
736	Y	98.7	Very high	97.6	Very high	19 Å²	19	26.1 Å²	26.1	8%	0.075	13%	0.133	C	C	.	.	H	α-helix	trans	-76.2	-23	-175.6	-58.1	-53.6	0	0	0	113.3	Y645 F648 I649 W650 V658 P733 L734 V738 L739 G740	Y645-Y736 WeakPolarHBondContact CE1-O 3.41Å; F648-Y736 HydrophobicContact CB-CD1 3.74Å; F648-Y736 HydrophobicContact CB-CD2 4.08Å; F648-Y736 HydrophobicContact CB-CE1 3.77Å; F648-Y736 HydrophobicContact CB-CE2 4.08Å; F648-Y736 HydrophobicContact CB-CG 3.92Å; F648-Y736 AromaticContact CD1-CD1 3.57Å; F648-Y736 HydrophobicContact CD1-CD1 3.57Å; F648-Y736 AromaticContact CD1-CE1 3.76Å; F648-Y736 HydrophobicContact CD1-CE1 3.76Å; F648-Y736 HydrophobicContact CD1-CG 4.42Å; F648-Y736 AromaticContact CD2-CD1 3.75Å; F648-Y736 HydrophobicContact CD2-CD1 3.75Å; F648-Y736 AromaticContact CD2-CG 3.81Å; F648-Y736 HydrophobicContact CD2-CG 3.81Å; F648-Y736 HydrophobicContact CE1-CD1 4.08Å; F648-Y736 HydrophobicContact CE2-CD1 4.24Å; F648-Y736 HydrophobicContact CE2-CG 4.45Å; F648-Y736 AromaticContact CG-CD1 3.41Å; F648-Y736 HydrophobicContact CG-CD1 3.41Å; F648-Y736 VanDerWaalsContact CG-CD1 3.41Å; F648-Y736 HydrophobicContact CG-CD2 4.47Å; F648-Y736 AromaticContact CG-CE1 3.8Å; F648-Y736 HydrophobicContact CG-CE1 3.8Å; F648-Y736 AromaticContact CG-CG 3.81Å; F648-Y736 HydrophobicContact CG-CG 3.81Å; F648-Y736 HydrophobicContact CZ-CD1 4.4Å; I649-Y736 PolarHBondContact O-OH 2.84Å; W650-Y736 HydrophobicContact CB-CE2 3.95Å; W650-Y736 AromaticContact CD1-CE2 3.87Å; W650-Y736 AromaticContact CG-CE2 3.96Å; W650-Y736 HydrophobicContact CG-CE2 3.96Å; V658-Y736 HydrophobicContact CG2-CD2 3.7Å; V658-Y736 HydrophobicContact CG2-CE2 3.96Å; P733-Y736 HydrophobicContact CB-CD2 3.85Å; P733-Y736 HydrophobicContact CB-CE2 4.37Å; P733-Y736 HydrophobicContact CG-CD2 3.84Å; P733-Y736 HydrophobicContact CG-CE2 4.3Å; P733-Y736 PolarHBondContact O-N 3.13Å; L734-Y736 PolarHBondContact O-N 3.01Å; Y736-V738 VanDerWaalsContact C-N 3.28Å; Y736-V738 PolarHBondContact O-N 3.16Å; Y736-L739 HydrophobicContact CD1-CD1 4.26Å; Y736-L739 HydrophobicContact CE1-CD1 4.45Å; Y736-G740 WeakPolarHBondContact O-CA 3.25Å; Y736-G740 PolarHBondContact O-N 3.35Å
737	R	98.8	Very high	97.7	Very high	16 Å²	16	25.8 Å²	25.8	6%	0.06	13%	0.133	C	C	.	.	H	α-helix	trans	-60.9	-40.1	167.5	-61.6	-172.3	77.9	154.4	4.1	111.1	H603 E666 D670 H731 S732 P733 L734 E735 S741	H603-R737 PolarHBondContact CE1-NH2 3.24Å; E666-R737 IonicContact OE2-NH2 3.43Å; D670-R737 IonicContact OD1-CZ 3.55Å; D670-R737 IonicContact OD1-NE 3.44Å; D670-R737 PolarHBondContact OD1-NE 3.17Å; D670-R737 IonicContact OD1-NH2 2.8Å; D670-R737 PolarHBondContact OD1-NH2 3.29Å; D670-R737 WeakPolarHBondContact OD2-CB 3.35Å; D670-R737 WeakPolarHBondContact OD2-CG 3.21Å; D670-R737 IonicContact OD2-CZ 2.93Å; D670-R737 IonicContact OD2-NE 3.27Å; D670-R737 PolarHBondContact OD2-NE 3.48Å; D670-R737 IonicContact OD2-NH2 3.94Å; D670-R737 PolarHBondContact OD2-NH2 3.25Å; H731-R737 PolarHBondContact CD2-NH1 3.21Å; S732-R737 WeakPolarHBondContact O-CD 3.49Å; S732-R737 VanDerWaalsContact O-CG 3.31Å; S732-R737 WeakPolarHBondContact O-CG 3.24Å; P733-R737 PolarHBondContact O-N 3.29Å; P733-R737 VanDerWaalsContact O-N 3.12Å; L734-R737 PolarHBondContact O-N 3.08Å; E735-R737 PolarHBondContact O-N 3.44Å; R737-S741 WeakPolarHBondContact O-CB 3.35Å; R737-S741 PolarHBondContact O-OG 3.42Å
738	V	98.9	Very high	98	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-72.3	-54.5	175.2	177.2	0	0	0	0	111.2	F105 Y106 F709 A710 W713 L734 E735 Y736 L742	F105-V738 HydrophobicContact CD1-CG1 4.16Å; Y106-V738 HydrophobicContact CD2-CB 4.1Å; Y106-V738 HydrophobicContact CD2-CG2 3.92Å; F709-V738 HydrophobicContact CE1-CB 4.47Å; F709-V738 HydrophobicContact CE1-CG1 4.31Å; F709-V738 HydrophobicContact CE1-CG2 4.41Å; A710-V738 HydrophobicContact CB-CG1 3.7Å; A710-V738 HydrophobicContact CB-CG2 4.24Å; W713-V738 HydrophobicContact CB-CG2 3.75Å; W713-V738 VanDerWaalsContact CD1-CG2 3.5Å; W713-V738 HydrophobicContact CG-CG2 3.91Å; L734-V738 PolarHBondContact O-N 3.39Å; E735-V738 WeakPolarHBondContact O-CB 3.4Å; E735-V738 PolarHBondContact O-N 3.03Å; Y736-V738 VanDerWaalsContact C-N 3.28Å; Y736-V738 PolarHBondContact O-N 3.16Å; V738-L742 HydrophobicContact CG1-CD1 3.87Å; V738-L742 WeakPolarHBondContact O-CB 3.3Å; V738-L742 VanDerWaalsContact O-CG 3.31Å; V738-L742 WeakPolarHBondContact O-CG 3.33Å; V738-L742 PolarHBondContact O-N 2.76Å; V738-L742 VanDerWaalsContact O-N 3.12Å
739	L	98.8	Very high	98.3	Very high	16 Å²	16	20.2 Å²	20.2	8%	0.084	11%	0.105	C	C	.	.	H	α-helix	trans	-64.3	-50.5	-173.6	-61.9	-179	0	0	0	111.7	E735 Y736 S741 L742 Q743 M760	E735-L739 HydrophobicContact CG-CD1 3.63Å; E735-L739 HydrophobicContact CG-CG 4.1Å; E735-L739 WeakPolarHBondContact O-CG 3.16Å; E735-L739 PolarHBondContact O-N 3.28Å; Y736-L739 HydrophobicContact CD1-CD1 4.26Å; Y736-L739 HydrophobicContact CE1-CD1 4.45Å; L739-S741 PolarHBondContact O-N 2.62Å; L739-L742 PolarHBondContact O-N 3.15Å; L739-Q743 WeakPolarHBondContact O-CB 3.41Å; L739-Q743 WeakPolarHBondContact O-CG 3.36Å; L739-Q743 PolarHBondContact O-N 2.81Å; L739-M760 HydrophobicContact CD2-CE 4.06Å; L739-M760 HydrophobicContact CD2-SD 3.45Å; L739-M760 WeakPolarHBondContact CD2-SD 3.26Å
740	G	98.6	Very high	98.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61	-44.7	-177.3	0	0	0	0	0	112.5	Q644 Y736 N744	Q644-G740 PolarHBondContact NE2-O 3.43Å; Y736-G740 WeakPolarHBondContact O-CA 3.25Å; Y736-G740 PolarHBondContact O-N 3.35Å; G740-N744 PolarHBondContact O-N 3.03Å; G740-N744 PolarHBondContact O-ND2 2.81Å; G740-N744 VanDerWaalsContact O-ND2 3.1Å
741	S	98.8	Very high	98.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-64.5	-44.4	178.8	-56.5	0	0	0	0	113.1	Y645 D670 R737 L739 N744 F745	Y645-S741 PolarHBondContact OH-N 3.17Å; D670-S741 WeakPolarHBondContact CB-OG 3.48Å; R737-S741 WeakPolarHBondContact O-CB 3.35Å; R737-S741 PolarHBondContact O-OG 3.42Å; L739-S741 PolarHBondContact O-N 2.62Å; S741-N744 PolarHBondContact O-N 3.34Å; S741-F745 PolarHBondContact O-N 2.76Å
742	L	98.8	Very high	98.6	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-80.1	-30.8	-176.7	-61.8	-179.3	0	0	0	113.2	F105 F706 F709 V738 L739 N744 F745 F748 M760	F105-L742 HydrophobicContact CB-CD1 4.38Å; F105-L742 HydrophobicContact CD1-CD1 3.23Å; F105-L742 HydrophobicContact CE1-CD1 3.7Å; F105-L742 HydrophobicContact CG-CD1 3.99Å; F706-L742 HydrophobicContact CD1-CD2 3.59Å; F706-L742 HydrophobicContact CE1-CD2 4.04Å; F709-L742 HydrophobicContact CD1-CD1 4.02Å; F709-L742 HydrophobicContact CD1-CD2 3.87Å; F709-L742 HydrophobicContact CD1-CG 4.11Å; F709-L742 HydrophobicContact CE1-CD1 3.93Å; F709-L742 HydrophobicContact CE1-CD2 3.75Å; F709-L742 HydrophobicContact CE1-CG 3.68Å; V738-L742 HydrophobicContact CG1-CD1 3.87Å; V738-L742 WeakPolarHBondContact O-CB 3.3Å; V738-L742 VanDerWaalsContact O-CG 3.31Å; V738-L742 WeakPolarHBondContact O-CG 3.33Å; V738-L742 PolarHBondContact O-N 2.76Å; V738-L742 VanDerWaalsContact O-N 3.12Å; L739-L742 PolarHBondContact O-N 3.15Å; L742-N744 PolarHBondContact O-N 3.3Å; L742-F745 PolarHBondContact O-N 3.29Å; L742-F748 HydrophobicContact CB-CB 4.47Å; L742-F748 HydrophobicContact CB-CD1 3.94Å; L742-F748 HydrophobicContact CB-CD2 4.25Å; L742-F748 HydrophobicContact CB-CE1 4.35Å; L742-F748 HydrophobicContact CB-CG 3.92Å; L742-F748 HydrophobicContact CD1-CD2 3.92Å; L742-F748 HydrophobicContact CD1-CE2 3.94Å; L742-F748 HydrophobicContact CD1-CG 4.42Å; L742-F748 HydrophobicContact CD1-CZ 4.49Å; L742-F748 HydrophobicContact CD2-CB 4.12Å; L742-F748 HydrophobicContact CD2-CD2 4.08Å; L742-F748 HydrophobicContact CD2-CG 4.11Å; L742-F748 HydrophobicContact CG-CD2 4.3Å; L742-F748 HydrophobicContact CG-CG 4.36Å; L742-M760 HydrophobicContact CB-CE 3.67Å
743	Q	98.8	Very high	98.6	Very high	31 Å²	31	29.4 Å²	29.4	15%	0.145	14%	0.142	C	C	.	.	H	α-helix	trans	-55.5	-38.9	169.2	-83.9	177	-16.9	0	0	111.4	L739 F745 P759 M760 P762 K765	L739-Q743 WeakPolarHBondContact O-CB 3.41Å; L739-Q743 WeakPolarHBondContact O-CG 3.36Å; L739-Q743 PolarHBondContact O-N 2.81Å; Q743-F745 VanDerWaalsContact C-N 3.32Å; Q743-P759 WeakPolarHBondContact CG-O 3.05Å; Q743-P759 PolarHBondContact NE2-O 3.03Å; Q743-M760 HydrophobicContact CG-CE 4.23Å; Q743-M760 HydrophobicContact CG-SD 4.27Å; Q743-P762 HydrophobicContact CB-CG 3.96Å; Q743-P762 HydrophobicContact CG-CG 4.29Å; Q743-P762 WeakPolarHBondContact O-CD 3.28Å; Q743-K765 PolarHBondContact O-NZ 2.87Å
744	N	98.8	Very high	98.6	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-11.9	179.2	-71.5	-27.2	0	0	0	113.6	Q644 N671 R675 G740 S741 L742 C766	Q644-N744 PolarHBondContact NE2-ND2 2.88Å; Q644-N744 PolarHBondContact NE2-OD1 3.07Å; Q644-N744 PolarHBondContact OE1-ND2 3.14Å; Q644-N744 PolarHBondContact OE1-OD1 3.1Å; N671-N744 VanDerWaalsContact OD1-CB 3.29Å; N671-N744 WeakPolarHBondContact OD1-CB 3.45Å; N671-N744 PolarHBondContact OD1-ND2 3.44Å; R675-N744 PolarHBondContact NH2-O 3.45Å; G740-N744 PolarHBondContact O-N 3.03Å; G740-N744 PolarHBondContact O-ND2 2.81Å; G740-N744 VanDerWaalsContact O-ND2 3.1Å; S741-N744 PolarHBondContact O-N 3.34Å; L742-N744 PolarHBondContact O-N 3.3Å; N744-C766 WeakPolarHBondContact CB-O 3.31Å; N744-C766 PolarHBondContact OD1-N 3.31Å
745	F	98.4	Very high	98.6	Very high	12 Å²	12	33.3 Å²	33.3	5%	0.053	17%	0.168	C	C	.	.			trans	-106.7	111.6	-169.2	-163.1	-177	0	0	0	112.9	V674 R675 Y678 F706 S741 L742 Q743 A747 F748 S749	V674-F745 HydrophobicContact CG1-CD1 4.08Å; V674-F745 HydrophobicContact CG1-CE1 4.45Å; V674-F745 HydrophobicContact CG2-CD1 4.35Å; V674-F745 HydrophobicContact CG2-CE1 4.36Å; R675-F745 HydrophobicContact CB-CZ 4.31Å; R675-F745 HydrophobicContact CG-CD1 4.2Å; R675-F745 HydrophobicContact CG-CD2 4Å; R675-F745 HydrophobicContact CG-CE1 4.09Å; R675-F745 HydrophobicContact CG-CE2 3.88Å; R675-F745 HydrophobicContact CG-CG 4.17Å; R675-F745 HydrophobicContact CG-CZ 3.93Å; Y678-F745 HydrophobicContact CD1-CE1 4.25Å; Y678-F745 HydrophobicContact CD1-CE2 4.45Å; Y678-F745 AromaticContact CD1-CZ 3.59Å; Y678-F745 HydrophobicContact CD1-CZ 3.59Å; Y678-F745 HydrophobicContact CE1-CZ 4.42Å; Y678-F745 HydrophobicContact CG-CE1 4.08Å; Y678-F745 AromaticContact CG-CZ 3.86Å; Y678-F745 HydrophobicContact CG-CZ 3.86Å; F706-F745 AromaticContact CE1-CD1 3.61Å; F706-F745 HydrophobicContact CE1-CD1 3.61Å; F706-F745 AromaticContact CE1-CE1 3.65Å; F706-F745 HydrophobicContact CE1-CE1 3.65Å; F706-F745 HydrophobicContact CZ-CD1 4.06Å; F706-F745 AromaticContact CZ-CE1 3.88Å; F706-F745 HydrophobicContact CZ-CE1 3.88Å; S741-F745 PolarHBondContact O-N 2.76Å; L742-F745 PolarHBondContact O-N 3.29Å; Q743-F745 VanDerWaalsContact C-N 3.32Å; F745-A747 VanDerWaalsContact C-N 3.33Å; F745-A747 HydrophobicContact CD2-CB 3.92Å; F745-A747 HydrophobicContact CE1-CB 4.44Å; F745-A747 HydrophobicContact CE2-CB 3.46Å; F745-A747 VanDerWaalsContact CE2-CB 3.46Å; F745-A747 HydrophobicContact CZ-CB 3.76Å; F745-A747 PolarHBondContact O-N 2.88Å; F745-F748 HydrophobicContact CB-CB 4.37Å; F745-F748 WeakPolarHBondContact O-CB 3.46Å; F745-F748 PolarHBondContact O-N 3.28Å; F745-S749 PolarHBondContact O-N 3.36Å
746	E	98.1	Very high	98.6	Very high	91 Å²	91	37 Å²	37	43%	0.425	19%	0.188	S	C	.	.	H	α-helix	trans	-60.4	-40	-178.3	-60.5	78	-171.2	0	0	112.6	R675 F748 S749 E750 K765	R675-E746 IonicContact CZ-OE2 2.87Å; R675-E746 IonicContact NH1-OE2 2.81Å; R675-E746 PolarHBondContact NH1-OE2 2.89Å; R675-E746 IonicContact NH2-OE1 3.41Å; R675-E746 IonicContact NH2-OE2 2.76Å; R675-E746 PolarHBondContact NH2-OE2 2.92Å; E746-F748 PolarHBondContact O-N 3.13Å; E746-S749 WeakPolarHBondContact O-CB 3.37Å; E746-S749 PolarHBondContact O-N 2.8Å; E746-E750 PolarHBondContact O-N 3.43Å; E746-K765 HydrophobicContact CG-CD 3.85Å; E746-K765 VanDerWaalsContact OE1-CD 3.26Å; E746-K765 WeakPolarHBondContact OE1-CD 3.29Å
747	A	98.4	Very high	98.5	Very high	12 Å²	12	38.7 Å²	38.7	10%	0.099	21%	0.211	C	C	.	.	H	α-helix	trans	-63.7	-30.5	-179.3	0	0	0	0	0	113	Y678 F706 F745 A751	Y678-A747 HydrophobicContact CD1-CB 3.9Å; Y678-A747 HydrophobicContact CE1-CB 3.37Å; F706-A747 HydrophobicContact CZ-CB 4.17Å; F745-A747 VanDerWaalsContact C-N 3.33Å; F745-A747 HydrophobicContact CD2-CB 3.92Å; F745-A747 HydrophobicContact CE1-CB 4.44Å; F745-A747 HydrophobicContact CE2-CB 3.46Å; F745-A747 VanDerWaalsContact CE2-CB 3.46Å; F745-A747 HydrophobicContact CZ-CB 3.76Å; F745-A747 PolarHBondContact O-N 2.88Å; A747-A751 WeakPolarHBondContact O-CB 3.35Å; A747-A751 PolarHBondContact O-N 3.36Å
748	F	98.8	Very high	98.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-64.8	-48.6	171.6	163.9	-94.8	0	0	0	110.6	F105 F706 L742 F745 E746 E750 A751 F752 M760	F105-F748 HydrophobicContact CB-CE2 4.4Å; F105-F748 HydrophobicContact CB-CZ 3.99Å; F105-F748 AromaticContact CD1-CE2 3.91Å; F105-F748 HydrophobicContact CD1-CE2 3.91Å; F105-F748 HydrophobicContact CD1-CZ 4.36Å; F105-F748 AromaticContact CD2-CE2 3.43Å; F105-F748 HydrophobicContact CD2-CE2 3.43Å; F105-F748 VanDerWaalsContact CD2-CE2 3.43Å; F105-F748 AromaticContact CD2-CZ 3.48Å; F105-F748 HydrophobicContact CD2-CZ 3.48Å; F105-F748 VanDerWaalsContact CD2-CZ 3.48Å; F105-F748 AromaticContact CE1-CE2 3.95Å; F105-F748 HydrophobicContact CE1-CE2 3.95Å; F105-F748 AromaticContact CE2-CE2 3.51Å; F105-F748 HydrophobicContact CE2-CE2 3.51Å; F105-F748 HydrophobicContact CE2-CZ 4.01Å; F105-F748 AromaticContact CG-CE2 3.63Å; F105-F748 HydrophobicContact CG-CE2 3.63Å; F105-F748 AromaticContact CG-CZ 3.67Å; F105-F748 HydrophobicContact CG-CZ 3.67Å; F105-F748 AromaticContact CZ-CE2 3.76Å; F105-F748 HydrophobicContact CZ-CE2 3.76Å; F706-F748 HydrophobicContact CB-CD2 4.02Å; F706-F748 HydrophobicContact CD1-CB 4.07Å; F706-F748 HydrophobicContact CD1-CD2 4.08Å; F706-F748 HydrophobicContact CD2-CB 4.38Å; F706-F748 HydrophobicContact CD2-CD2 4.16Å; F706-F748 HydrophobicContact CE1-CB 3.83Å; F706-F748 HydrophobicContact CE2-CB 4.16Å; F706-F748 HydrophobicContact CG-CB 4.36Å; F706-F748 AromaticContact CG-CD2 3.82Å; F706-F748 HydrophobicContact CG-CD2 3.82Å; F706-F748 HydrophobicContact CZ-CB 3.88Å; L742-F748 HydrophobicContact CB-CB 4.47Å; L742-F748 HydrophobicContact CB-CD1 3.94Å; L742-F748 HydrophobicContact CB-CD2 4.25Å; L742-F748 HydrophobicContact CB-CE1 4.35Å; L742-F748 HydrophobicContact CB-CG 3.92Å; L742-F748 HydrophobicContact CD1-CD2 3.92Å; L742-F748 HydrophobicContact CD1-CE2 3.94Å; L742-F748 HydrophobicContact CD1-CG 4.42Å; L742-F748 HydrophobicContact CD1-CZ 4.49Å; L742-F748 HydrophobicContact CD2-CB 4.12Å; L742-F748 HydrophobicContact CD2-CD2 4.08Å; L742-F748 HydrophobicContact CD2-CG 4.11Å; L742-F748 HydrophobicContact CG-CD2 4.3Å; L742-F748 HydrophobicContact CG-CG 4.36Å; F745-F748 HydrophobicContact CB-CB 4.37Å; F745-F748 WeakPolarHBondContact O-CB 3.46Å; F745-F748 PolarHBondContact O-N 3.28Å; E746-F748 PolarHBondContact O-N 3.13Å; F748-E750 VanDerWaalsContact C-N 3.25Å; F748-E750 PolarHBondContact O-N 2.74Å; F748-A751 PolarHBondContact O-N 3.25Å; F748-F752 AromaticContact CD2-CD2 3.66Å; F748-F752 HydrophobicContact CD2-CD2 3.66Å; F748-F752 AromaticContact CD2-CE2 3.95Å; F748-F752 HydrophobicContact CD2-CE2 3.95Å; F748-F752 AromaticContact CE2-CD2 3.37Å; F748-F752 HydrophobicContact CE2-CD2 3.37Å; F748-F752 AromaticContact CE2-CE2 3.69Å; F748-F752 HydrophobicContact CE2-CE2 3.69Å; F748-F752 HydrophobicContact CE2-CG 4.13Å; F748-F752 HydrophobicContact CZ-CD2 4.07Å; F748-F752 HydrophobicContact CZ-CG 4.44Å; F748-F752 PolarHBondContact O-N 3.36Å; F748-F752 VanDerWaalsContact O-N 3.07Å; F748-M760 HydrophobicContact CE1-CB 3.82Å; F748-M760 HydrophobicContact CE1-CE 4.09Å; F748-M760 HydrophobicContact CZ-CB 4.44Å; F748-M760 HydrophobicContact CZ-CE 4.35Å
749	S	98.7	Very high	98.4	Very high	8 Å²	8	42.2 Å²	42.2	6%	0.056	24%	0.237	C	C	.	.	H	α-helix	trans	-62.4	-34.4	179.1	-61.6	0	0	0	0	111.9	F745 E746 Q753 C754 N761	F745-S749 PolarHBondContact O-N 3.36Å; E746-S749 WeakPolarHBondContact O-CB 3.37Å; E746-S749 PolarHBondContact O-N 2.8Å; S749-Q753 CarbonylContact O-C 3.35Å; S749-Q753 VanDerWaalsContact O-CA 3.32Å; S749-Q753 WeakPolarHBondContact O-CA 3.41Å; S749-Q753 PolarHBondContact O-N 3.04Å; S749-C754 PolarHBondContact O-N 3.18Å; S749-N761 WeakPolarHBondContact OG-CB 3.42Å; S749-N761 PolarHBondContact OG-OD1 3.41Å
750	E	98.6	Very high	98.4	Very high	134 Å²	134	41.6 Å²	41.6	63%	0.626	23%	0.233	S	C	*	.	H	α-helix	trans	-66.3	-50.1	172.7	-172.8	-172.3	159	0	0	111.8	E746 F748 F752 Q753	E746-E750 PolarHBondContact O-N 3.43Å; F748-E750 VanDerWaalsContact C-N 3.25Å; F748-E750 PolarHBondContact O-N 2.74Å; E750-F752 VanDerWaalsContact C-N 3.27Å; E750-F752 PolarHBondContact O-N 2.81Å; E750-Q753 PolarHBondContact O-N 3.11Å; E750-Q753 VanDerWaalsContact O-N 3.14Å
751	A	98.4	Very high	98.4	Very high	12 Å²	12	42.4 Å²	42.4	10%	0.099	24%	0.237	C	C	.	.	H	α-helix	trans	-61.5	-33	-177.5	0	0	0	0	0	113.3	K702 Q703 F706 A747 F748	K702-A751 HydrophobicContact CB-CB 4.25Å; Q703-A751 HydrophobicContact CG-CB 4.31Å; Q703-A751 WeakPolarHBondContact CG-O 3.17Å; Q703-A751 PolarHBondContact NE2-O 2.87Å; F706-A751 HydrophobicContact CD2-CB 4.05Å; F706-A751 HydrophobicContact CE2-CB 3.93Å; A747-A751 WeakPolarHBondContact O-CB 3.35Å; A747-A751 PolarHBondContact O-N 3.36Å; F748-A751 PolarHBondContact O-N 3.25Å
752	F	98.4	Very high	98.4	Very high	23 Å²	23	44 Å²	44	10%	0.101	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	6.2	177.4	-71.3	-86.6	0	0	0	114	P101 F105 Y108 Q703 F706 F748 E750 C754	P101-F752 HydrophobicContact CB-CB 4.47Å; P101-F752 HydrophobicContact CB-CD1 3.62Å; P101-F752 HydrophobicContact CB-CE1 4.13Å; P101-F752 HydrophobicContact CB-CG 4.17Å; P101-F752 HydrophobicContact CG-CD1 3.72Å; P101-F752 HydrophobicContact CG-CE1 4.44Å; P101-F752 HydrophobicContact CG-CG 4.45Å; F105-F752 HydrophobicContact CE2-CD1 4.18Å; F105-F752 HydrophobicContact CE2-CD2 4.17Å; F105-F752 AromaticContact CE2-CE1 3.72Å; F105-F752 HydrophobicContact CE2-CE1 3.72Å; F105-F752 AromaticContact CE2-CE2 3.72Å; F105-F752 HydrophobicContact CE2-CE2 3.72Å; F105-F752 HydrophobicContact CE2-CG 4.38Å; F105-F752 AromaticContact CE2-CZ 3.47Å; F105-F752 HydrophobicContact CE2-CZ 3.47Å; F105-F752 VanDerWaalsContact CE2-CZ 3.47Å; F105-F752 HydrophobicContact CZ-CE1 4.28Å; F105-F752 AromaticContact CZ-CE2 3.78Å; F105-F752 HydrophobicContact CZ-CE2 3.78Å; F105-F752 AromaticContact CZ-CZ 3.59Å; F105-F752 HydrophobicContact CZ-CZ 3.59Å; Y108-F752 HydrophobicContact CE1-CE1 4.35Å; Q703-F752 HydrophobicContact CB-CE1 4.2Å; Q703-F752 HydrophobicContact CB-CE2 4.21Å; Q703-F752 HydrophobicContact CB-CZ 3.73Å; Q703-F752 HydrophobicContact CG-CD1 4.46Å; Q703-F752 HydrophobicContact CG-CE1 4.07Å; Q703-F752 HydrophobicContact CG-CE2 4.12Å; Q703-F752 HydrophobicContact CG-CZ 3.88Å; F706-F752 HydrophobicContact CB-CE2 3.88Å; F706-F752 HydrophobicContact CD2-CE2 4.16Å; F706-F752 HydrophobicContact CG-CE2 4.4Å; F748-F752 AromaticContact CD2-CD2 3.66Å; F748-F752 HydrophobicContact CD2-CD2 3.66Å; F748-F752 AromaticContact CD2-CE2 3.95Å; F748-F752 HydrophobicContact CD2-CE2 3.95Å; F748-F752 AromaticContact CE2-CD2 3.37Å; F748-F752 HydrophobicContact CE2-CD2 3.37Å; F748-F752 AromaticContact CE2-CE2 3.69Å; F748-F752 HydrophobicContact CE2-CE2 3.69Å; F748-F752 HydrophobicContact CE2-CG 4.13Å; F748-F752 HydrophobicContact CZ-CD2 4.07Å; F748-F752 HydrophobicContact CZ-CG 4.44Å; F748-F752 PolarHBondContact O-N 3.36Å; F748-F752 VanDerWaalsContact O-N 3.07Å; E750-F752 VanDerWaalsContact C-N 3.27Å; E750-F752 PolarHBondContact O-N 2.81Å; F752-C754 VanDerWaalsContact C-N 3.27Å; F752-C754 PolarHBondContact O-N 3.4Å
753	Q	98.3	Very high	98.3	Very high	176 Å²	176	51.9 Å²	51.9	82%	0.822	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	42	178.9	-57.1	178.4	-8.1	0	0	113.2	S749 E750 P755	S749-Q753 CarbonylContact O-C 3.35Å; S749-Q753 VanDerWaalsContact O-CA 3.32Å; S749-Q753 WeakPolarHBondContact O-CA 3.41Å; S749-Q753 PolarHBondContact O-N 3.04Å; E750-Q753 PolarHBondContact O-N 3.11Å; E750-Q753 VanDerWaalsContact O-N 3.14Å; Q753-P755 WeakPolarHBondContact O-CD 3.49Å
754	C	98.6	Very high	98.2	Very high	9 Å²	9	58.6 Å²	58.6	6%	0.061	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-73.4	125.1	-176.4	-63.2	0	0	0	0	112.2	C102 S749 F752 N761	C102-C754 VanDerWaalsContact CA-SG 3.51Å; C102-C754 HydrophobicContact CB-CB 3.67Å; C102-C754 WeakPolarHBondContact CB-SG 3.38Å; C102-C754 WeakPolarHBondContact SG-CA 3.2Å; C102-C754 WeakPolarHBondContact SG-CB 3.23Å; C102-C754 CovalentContact SG-SG 2.05Å; C102-C754 PolarHBondContact SG-SG 2.94Å; S749-C754 PolarHBondContact O-N 3.18Å; F752-C754 VanDerWaalsContact C-N 3.27Å; F752-C754 PolarHBondContact O-N 3.4Å; C754-N761 HydrophobicContact CB-CB 3.84Å; C754-N761 PolarHBondContact O-ND2 2.86Å
755	P	98.3	Very high	98.2	Very high	87 Å²	87	60.8 Å²	60.8	57%	0.565	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-60.9	142.8	176.3	-22.3	33.1	0	0	0	111.9	Q753 G757 S758 N761	Q753-P755 WeakPolarHBondContact O-CD 3.49Å; P755-G757 PolarHBondContact O-N 2.91Å; P755-S758 VanDerWaalsContact O-CB 3.31Å; P755-S758 WeakPolarHBondContact O-CB 3.3Å; P755-S758 PolarHBondContact O-N 2.89Å; P755-S758 PolarHBondContact O-OG 3.4Å; P755-N761 WeakPolarHBondContact O-CB 3.16Å
756	I	97.9	Very high	98.1	Very high	129 Å²	129	60.5 Å²	60.5	66%	0.662	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	133	172.3	-62	173	0	0	0	109	S758 E763	I756-S758 VanDerWaalsContact C-N 3.33Å; I756-E763 HydrophobicContact CG2-CG 3.56Å
757	G	96.6	Very high	98.1	Very high	55 Å²	55	59.8 Å²	59.8	57%	0.567	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	85	-2.1	-177	0	0	0	0	0	114.7	P755 N761	P755-G757 PolarHBondContact O-N 2.91Å; G757-N761 PolarHBondContact N-O 3.33Å
758	S	98.3	Very high	98.1	Very high	17 Å²	17	59.3 Å²	59.3	12%	0.119	31%	0.314	C	S	.	.	S	Bend	trans	-66.1	156.3	165.6	60	0	0	0	0	110.5	P755 I756 M760 N761	P755-S758 VanDerWaalsContact O-CB 3.31Å; P755-S758 WeakPolarHBondContact O-CB 3.3Å; P755-S758 PolarHBondContact O-N 2.89Å; P755-S758 PolarHBondContact O-OG 3.4Å; I756-S758 VanDerWaalsContact C-N 3.33Å; S758-M760 PolarHBondContact O-N 3.35Å; S758-M760 VanDerWaalsContact O-N 3.08Å; S758-N761 CarbonylContact O-C 3.52Å; S758-N761 VanDerWaalsContact O-C 3.23Å; S758-N761 PolarHBondContact O-N 2.83Å; S758-N761 WeakPolarHBondContact OG-CB 2.93Å; S758-N761 PolarHBondContact OG-N 3.15Å
759	P	98.2	Very high	98	Very high	74 Å²	74	59.6 Å²	59.6	48%	0.481	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-32.4	-177.9	-28.5	35.6	0	0	0	114.5	D103 Q743	D103-P759 VanDerWaalsContact O-CB 3.29Å; D103-P759 WeakPolarHBondContact O-CB 3.26Å; Q743-P759 WeakPolarHBondContact CG-O 3.05Å; Q743-P759 PolarHBondContact NE2-O 3.03Å
760	M	98.6	Very high	97.9	Very high	2 Å²	2	62.2 Å²	62.2	1%	0.01	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	0.8	177.3	-62.8	-59.2	-53.4	0	0	114.6	P101 C102 F105 L739 L742 Q743 F748 S758	P101-M760 WeakPolarHBondContact O-CG 3.49Å; C102-M760 WeakPolarHBondContact O-CB 3.18Å; C102-M760 WeakPolarHBondContact O-CG 3.24Å; C102-M760 PolarHBondContact O-N 3.3Å; C102-M760 VanDerWaalsContact O-N 3.09Å; F105-M760 HydrophobicContact CB-CE 3.76Å; F105-M760 HydrophobicContact CB-CG 4.29Å; F105-M760 HydrophobicContact CB-SD 4.17Å; L739-M760 HydrophobicContact CD2-CE 4.06Å; L739-M760 HydrophobicContact CD2-SD 3.45Å; L739-M760 WeakPolarHBondContact CD2-SD 3.26Å; L742-M760 HydrophobicContact CB-CE 3.67Å; Q743-M760 HydrophobicContact CG-CE 4.23Å; Q743-M760 HydrophobicContact CG-SD 4.27Å; F748-M760 HydrophobicContact CE1-CB 3.82Å; F748-M760 HydrophobicContact CE1-CE 4.09Å; F748-M760 HydrophobicContact CZ-CB 4.44Å; F748-M760 HydrophobicContact CZ-CE 4.35Å; S758-M760 PolarHBondContact O-N 3.35Å; S758-M760 VanDerWaalsContact O-N 3.08Å
761	N	98.6	Very high	97.9	Very high	17 Å²	17	58.4 Å²	58.4	9%	0.091	31%	0.312	C	S	.	.	S	Bend	trans	-134.7	65.9	172.4	-170.9	16.1	0	0	0	111.1	S749 C754 P755 G757 S758 K765	S749-N761 WeakPolarHBondContact OG-CB 3.42Å; S749-N761 PolarHBondContact OG-OD1 3.41Å; C754-N761 HydrophobicContact CB-CB 3.84Å; C754-N761 PolarHBondContact O-ND2 2.86Å; P755-N761 WeakPolarHBondContact O-CB 3.16Å; G757-N761 PolarHBondContact N-O 3.33Å; S758-N761 CarbonylContact O-C 3.52Å; S758-N761 VanDerWaalsContact O-C 3.23Å; S758-N761 PolarHBondContact O-N 2.83Å; S758-N761 WeakPolarHBondContact OG-CB 2.93Å; S758-N761 PolarHBondContact OG-N 3.15Å; N761-K765 WeakPolarHBondContact OD1-CE 3.39Å; N761-K765 PolarHBondContact OD1-NZ 3.37Å
762	P	98	Very high	97.9	Very high	35 Å²	35	60.9 Å²	60.9	23%	0.227	32%	0.324	C	S	.	.			trans	-63.1	149.9	174.6	28.7	-35.8	0	0	0	111.1	Q743 Q764 K765	Q743-P762 HydrophobicContact CB-CG 3.96Å; Q743-P762 HydrophobicContact CG-CG 4.29Å; Q743-P762 WeakPolarHBondContact O-CD 3.28Å; P762-Q764 VanDerWaalsContact C-N 3.31Å; P762-Q764 PolarHBondContact O-N 3.01Å; P762-K765 WeakPolarHBondContact O-CE 3.2Å
763	E	97.1	Very high	97.8	Very high	165 Å²	165	63.2 Å²	63.2	77%	0.771	34%	0.337	S	S	*	.	S	Bend	trans	-63.8	-38	176.1	-70.8	-177.1	-177.8	0	0	112	I756	I756-E763 HydrophobicContact CG2-CG 3.56Å
764	Q	96.8	Very high	97.8	Very high	172 Å²	172	56.1 Å²	56.1	80%	0.804	31%	0.307	S	S	*	.	S	Bend	trans	-93.1	124	175.6	-65	-176.1	-5.3	0	0	109.4	P762	P762-Q764 VanDerWaalsContact C-N 3.31Å; P762-Q764 PolarHBondContact O-N 3.01Å
765	K	98.2	Very high	97.7	Very high	47 Å²	47	59.3 Å²	59.3	20%	0.204	32%	0.324	C	S	.	.			trans	-124.7	130.2	178.9	-63.9	179.3	-176	-77.3	0	108.9	Q743 E746 N761 P762	Q743-K765 PolarHBondContact O-NZ 2.87Å; E746-K765 HydrophobicContact CG-CD 3.85Å; E746-K765 VanDerWaalsContact OE1-CD 3.26Å; E746-K765 WeakPolarHBondContact OE1-CD 3.29Å; N761-K765 WeakPolarHBondContact OD1-CE 3.39Å; N761-K765 PolarHBondContact OD1-NZ 3.37Å; P762-K765 WeakPolarHBondContact O-CE 3.2Å
766	C	98.3	Very high	97.7	Very high	5 Å²	5	57.3 Å²	57.3	3%	0.034	31%	0.306	C	S	.	.			trans	-82.3	137.4	176.2	-54.9	0	0	0	0	110.3	C640 M641 N744	C640-C766 HydrophobicContact CB-CB 3.7Å; C640-C766 WeakPolarHBondContact CB-SG 3.45Å; C640-C766 PolarHBondContact O-SG 2.85Å; C640-C766 VanDerWaalsContact O-SG 3.35Å; C640-C766 WeakPolarHBondContact SG-CA 3.46Å; C640-C766 WeakPolarHBondContact SG-CB 3.39Å; C640-C766 CovalentContact SG-SG 2.05Å; C640-C766 PolarHBondContact SG-SG 2.76Å; M641-C766 HydrophobicContact CE-CB 4.17Å; M641-C766 HydrophobicContact CG-CB 3.62Å; N744-C766 WeakPolarHBondContact CB-O 3.31Å; N744-C766 PolarHBondContact OD1-N 3.31Å
767	R	97.1	Very high	97.7	Very high	77 Å²	77	51.8 Å²	51.8	29%	0.291	28%	0.279	S	S	.	.			trans	-146.2	123.2	174.3	-175.8	176.8	178.5	-176	-2	110.7	E475 Q637	E475-R767 IonicContact OE2-NH2 3.56Å; E475-R767 PolarHBondContact OE2-NH2 2.88Å; E475-R767 VanDerWaalsContact OE2-NH2 3.12Å; Q637-R767 PolarHBondContact OE1-O 3.2Å
768	V	97.8	Very high	97.8	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.006	26%	0.255	C	S	.	.			trans	-104.2	-72.5	168.4	-175.9	0	0	0	0	108.3	L476 W478 F634 Q637 M641 I668	L476-V768 WeakPolarHBondContact CD2-O 3.43Å; W478-V768 HydrophobicContact CZ2-CG1 4.05Å; W478-V768 VanDerWaalsContact CZ2-O 3.31Å; W478-V768 WeakPolarHBondContact CZ2-O 3.22Å; W478-V768 PolarHBondContact NE1-O 2.88Å; F634-V768 HydrophobicContact CD2-CG1 3.76Å; F634-V768 HydrophobicContact CE2-CG1 3.57Å; F634-V768 HydrophobicContact CZ-CG1 4.48Å; Q637-V768 HydrophobicContact CB-CG2 4.01Å; M641-V768 HydrophobicContact CE-CG2 4.12Å; M641-V768 HydrophobicContact SD-CG2 4.28Å; I668-V768 HydrophobicContact CG1-CG2 4.27Å; I668-V768 HydrophobicContact CG2-CB 4.46Å; I668-V768 HydrophobicContact CG2-CG1 4.48Å
769	W	96.6	Very high	97.7	Very high	6 Å²	6	54.6 Å²	54.6	2%	0.023	27%	0.267	C	S	.	.			trans	-95	0	-177.9	-58.6	113.2	0	0	0	114	Y469 T472 L473 L476 W478 M479 T606 F609 W626 F634 I668	Y469-W769 HydrophobicContact CE2-CE3 4.42Å; T472-W769 WeakPolarHBondContact CG2-OXT 3.47Å; L473-W769 HydrophobicContact CD2-CE3 4.12Å; L473-W769 HydrophobicContact CD2-CZ3 3.75Å; L476-W769 HydrophobicContact CD1-CE3 3.62Å; L476-W769 HydrophobicContact CD1-CZ3 3.79Å; W478-W769 AromaticContact CH2-CH2 3.65Å; W478-W769 HydrophobicContact CH2-CH2 3.65Å; W478-W769 HydrophobicContact CH2-CZ2 4.04Å; W478-W769 AromaticContact CH2-CZ3 3.9Å; W478-W769 HydrophobicContact CH2-CZ3 3.9Å; W478-W769 HydrophobicContact CZ2-CE3 4.18Å; W478-W769 HydrophobicContact CZ2-CH2 4.13Å; W478-W769 HydrophobicContact CZ2-CZ2 4.43Å; W478-W769 AromaticContact CZ2-CZ3 3.98Å; W478-W769 HydrophobicContact CZ2-CZ3 3.98Å; M479-W769 HydrophobicContact CE-CH2 4.32Å; M479-W769 HydrophobicContact SD-CH2 4.41Å; M479-W769 HydrophobicContact SD-CZ3 4.26Å; T606-W769 HydrophobicContact CG2-CB 4.4Å; T606-W769 VanDerWaalsContact CG2-CD1 3.44Å; T606-W769 HydrophobicContact CG2-CG 4.1Å; F609-W769 HydrophobicContact CB-CD2 4.27Å; F609-W769 HydrophobicContact CB-CH2 4.02Å; F609-W769 HydrophobicContact CB-CZ2 3.42Å; F609-W769 VanDerWaalsContact CB-CZ2 3.42Å; F609-W769 HydrophobicContact CD1-CH2 4.44Å; F609-W769 HydrophobicContact CG-CZ2 4.4Å; F609-W769 VanDerWaalsContact O-CE2 3.26Å; F609-W769 WeakPolarHBondContact O-CZ2 3.44Å; F609-W769 PolarHBondContact O-NE1 3.44Å; W626-W769 AromaticContact CH2-CH2 3.42Å; W626-W769 HydrophobicContact CH2-CH2 3.42Å; W626-W769 VanDerWaalsContact CH2-CH2 3.42Å; W626-W769 AromaticContact CH2-CZ2 3.67Å; W626-W769 HydrophobicContact CH2-CZ2 3.67Å; W626-W769 AromaticContact CZ2-CH2 3.69Å; W626-W769 HydrophobicContact CZ2-CH2 3.69Å; W626-W769 AromaticContact CZ2-CZ2 3.99Å; W626-W769 HydrophobicContact CZ2-CZ2 3.99Å; F634-W769 HydrophobicContact CD2-CZ2 4.02Å; F634-W769 AromaticContact CE2-CZ2 3.81Å; F634-W769 HydrophobicContact CE2-CZ2 3.81Å; F634-W769 AromaticContact CE2-NE1 3.95Å; I668-W769 VanDerWaalsContact CG2-CD1 3.46Å

Retrieved 769 of 769 residues in 164.5 ms (Link to these results)

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