A0A096N6J0_PAPAN Loading...

alpha-1,2-Mannosidase

Involved in the maturation of Asn-linked oligosaccharides. Progressively trim alpha-1,2-linked mannose residues from Man(9)GlcNAc(2) to produce Man(5)GlcNAc(2).

AlphaFold DB (A0A2K6A4A0), UniProt , Accession A0A096N6J0, Species PAPAN (Papio anubis, Olive baboon), Gene MAN1A2, Length 641 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.8	Very low	33.6	Very low	233 Å²	233	131.5 Å²	131.5	100%	1.148	80%	0.8	S	S	*	*				0	91.6	0	-73.8	177	177.2	0	0	106.6
2	T	31.5	Very low	33.4	Very low	131 Å²	131	142.5 Å²	142.5	80%	0.804	82%	0.816	S	S	*	*				84.6	107.5	100	48	0	0	0	0	112.6
3	T	33.9	Very low	33.2	Very low	133 Å²	133	150.7 Å²	150.7	82%	0.816	83%	0.825	S	S	*	*			trans	-57.8	165.8	155	34.1	0	0	0	0	111.9
4	P	44	Very low	33.5	Very low	119 Å²	119	151.6 Å²	151.6	77%	0.773	83%	0.827	S	S	*	*				-137.4	144.3	113.2	33.4	-18.3	0	0	0	112.1
5	A	30.7	Very low	33.7	Very low	80 Å²	80	149.2 Å²	149.2	66%	0.661	82%	0.821	S	S	*	*				64.6	127.9	57.8	0	0	0	0	0	112
6	L	30.3	Very low	33.7	Very low	147 Å²	147	147.6 Å²	147.6	77%	0.77	82%	0.82	S	S	*	*			cis	-171.4	137.6	23.1	-92.2	149.8	0	0	0	109
7	L	27.2	Very low	33.7	Very low	152 Å²	152	149.1 Å²	149.1	80%	0.796	83%	0.825	S	S	*	*				62.8	167.5	108.3	-76.7	-175.9	0	0	0	119.1
8	P	47.1	Very low	33.6	Very low	101 Å²	101	150 Å²	150	66%	0.656	83%	0.828	S	S	*	*			cis	-139.9	177.2	-17.6	29.3	-6.7	0	0	0	115.6
9	L	29.9	Very low	33.6	Very low	165 Å²	165	151.6 Å²	151.6	86%	0.864	83%	0.834	S	S	*	*				179.9	118.4	119.3	-93.7	166.2	0	0	0	113.8
10	S	32	Very low	33.7	Very low	122 Å²	122	146.9 Å²	146.9	85%	0.853	82%	0.823	S	S	*	*			trans	30.4	137.9	142.3	-158.1	0	0	0	0	121.4
11	G	29.2	Very low	33.8	Very low	64 Å²	64	145.9 Å²	145.9	66%	0.66	82%	0.822	S	S	*	*			cis	156.6	142.9	5.4	0	0	0	0	0	111.4
12	R	31	Very low	33.8	Very low	263 Å²	263	140.7 Å²	140.7	99%	0.992	81%	0.806	S	S	*	*			trans	-172.2	130.6	143.8	-107.4	176.2	-177.6	-176.4	1.2	110.5
13	R	31.6	Very low	33.8	Very low	249 Å²	249	139.9 Å²	139.9	94%	0.94	81%	0.805	S	S	*	*			trans	-92.2	148.4	-173.9	-70.8	179	-177.1	-175.8	0.1	112.4
14	I	36.4	Very low	33.8	Very low	164 Å²	164	142.6 Å²	142.6	84%	0.841	81%	0.807	S	S	*	*			trans	-133	140.1	157.2	-63.2	-179.3	0	0	0	107.2
15	P	37.3	Very low	33.4	Very low	115 Å²	115	142.9 Å²	142.9	75%	0.747	81%	0.808	S	S	*	*			trans	-87.4	167.4	-164.7	34.7	-34.9	0	0	0	115.1
16	P	34.2	Very low	33.7	Very low	124 Å²	124	147.9 Å²	147.9	81%	0.805	82%	0.818	S	S	*	*			trans	-94.3	150.3	-172.7	36.9	-31.2	0	0	0	112.9
17	L	33.1	Very low	34.1	Very low	173 Å²	173	150 Å²	150	91%	0.906	82%	0.823	S	S	*	*			trans	-129.9	126.3	169.6	-100.8	155.5	0	0	0	110.8
18	N	31	Very low	34.7	Very low	165 Å²	165	151.2 Å²	151.2	88%	0.882	82%	0.817	S	S	*	*			trans	-54.1	135.8	175.7	-87.4	-27	0	0	0	112.8	G20	N18-G20 PolarHBondContact O-N 3.16Å
19	L	34.6	Very low	35.1	Very low	180 Å²	180	151.1 Å²	151.1	94%	0.942	83%	0.825	S	S	*	*			trans	-81.9	105.9	167.1	-78.6	155.8	0	0	0	109.5
20	G	35.3	Very low	36.6	Very low	58 Å²	58	148.4 Å²	148.4	60%	0.598	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-76	168.6	160.9	0	0	0	0	0	111.8	N18	N18-G20 PolarHBondContact O-N 3.16Å
21	P	35	Very low	38.2	Very low	126 Å²	126	146.9 Å²	146.9	82%	0.818	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-70.1	149.2	-173	30.3	-34.1	0	0	0	111.9	S23	P21-S23 PolarHBondContact O-N 3.09Å
22	P	34.7	Very low	40.4	Very low	124 Å²	124	150.6 Å²	150.6	81%	0.805	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-71.5	121.2	-179.1	28.4	-31.5	0	0	0	110.8
23	S	31.8	Very low	42	Very low	113 Å²	113	144.1 Å²	144.1	79%	0.79	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-66.7	129.1	171.4	48	0	0	0	0	111.8	P21	P21-S23 PolarHBondContact O-N 3.09Å
24	F	34.1	Very low	43.4	Very low	191 Å²	191	135.8 Å²	135.8	84%	0.838	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-56.2	141.4	169.2	-75.8	-93.6	0	0	0	112.3	H26	F24-H26 PolarHBondContact O-N 3.35Å
25	P	35.4	Very low	45	Very low	125 Å²	125	131.5 Å²	131.5	81%	0.812	73%	0.732	S	S	*	*			trans	-76.4	115.1	167.1	29.2	-28.2	0	0	0	109.6	H27	P25-H27 PolarHBondContact O-N 3.33Å
26	H	36.3	Very low	46.5	Very low	185 Å²	185	131 Å²	131	86%	0.856	72%	0.718	S	S	*	*			trans	-57.9	124.5	168.8	-80	-73.9	0	0	0	110.8	F24 R28	F24-H26 PolarHBondContact O-N 3.35Å; H26-R28 PolarHBondContact O-N 2.85Å
27	H	40	Very low	48.2	Very low	190 Å²	190	131 Å²	131	88%	0.88	71%	0.705	S	S	*	*			trans	-53.9	116.6	161.4	-91.4	-63.9	0	0	0	109.8	P25 A29	P25-H27 PolarHBondContact O-N 3.33Å; H27-A29 PolarHBondContact O-N 2.75Å
28	R	39.6	Very low	50.2	Low	179 Å²	179	127.5 Å²	127.5	68%	0.675	69%	0.687	S	S	*	*			trans	-71.6	111.4	166.3	-98.7	-173.3	179.5	160.8	7.6	108.9	H26 T30	H26-R28 PolarHBondContact O-N 2.85Å; R28-T30 VanDerWaalsContact C-N 3.32Å
29	A	55	Low	52.1	Low	99 Å²	99	124.1 Å²	124.1	82%	0.818	67%	0.668	S	S	*	*			trans	-85.7	5.3	176	0	0	0	0	0	113.9	H27	H27-A29 PolarHBondContact O-N 2.75Å
30	T	61.1	Low	54	Low	108 Å²	108	120.9 Å²	120.9	66%	0.663	65%	0.651	S	S	*	*	S	Bend	trans	-146.1	128.5	-176.3	54.3	0	0	0	0	113	R28	R28-T30 VanDerWaalsContact C-N 3.32Å
31	L	65.5	Low	56	Low	89 Å²	89	123.9 Å²	123.9	47%	0.466	65%	0.653	S	S	.	*			trans	-69	142.6	173.2	-71.5	164.8	0	0	0	111	E35 K36 L39	L31-E35 HydrophobicContact CB-CB 4.32Å; L31-E35 HydrophobicContact CD2-CB 4.18Å; L31-K36 HydrophobicContact CB-CG 3.9Å; L31-K36 VanDerWaalsContact O-CE 3.26Å; L31-K36 WeakPolarHBondContact O-CE 3.46Å; L31-L39 HydrophobicContact CD1-CD1 3.6Å
32	R	75.9	Confident	58	Low	142 Å²	142	123 Å²	123	54%	0.536	64%	0.64	S	S	.	*			trans	-66.1	152.6	174.1	-69.2	178	168.5	-170.6	-5.7	109.9	S34 E35 K36	R32-S34 PolarHBondContact O-N 3.22Å; R32-S34 VanDerWaalsContact O-N 3.16Å; R32-E35 HydrophobicContact CB-CG 4.38Å; R32-E35 PolarHBondContact N-OE2 3.5Å; R32-E35 WeakPolarHBondContact O-CB 3.31Å; R32-E35 PolarHBondContact O-N 2.81Å; R32-K36 PolarHBondContact O-N 2.86Å; R32-K36 VanDerWaalsContact O-N 3.11Å
33	L	63.6	Low	59.8	Low	128 Å²	128	122 Å²	122	67%	0.67	63%	0.627	S	S	*	*	H	α-helix	trans	-53.6	-40.9	-176.3	-156.6	92.6	0	0	0	112	E35 K36 F37	L33-E35 VanDerWaalsContact C-N 3.33Å; L33-E35 PolarHBondContact O-N 2.72Å; L33-K36 PolarHBondContact O-N 3.04Å; L33-F37 HydrophobicContact CD2-CD2 4.34Å; L33-F37 HydrophobicContact CD2-CE2 3.88Å; L33-F37 HydrophobicContact CG-CD2 4.23Å; L33-F37 HydrophobicContact CG-CE2 4.06Å; L33-F37 VanDerWaalsContact O-CD2 3.29Å; L33-F37 WeakPolarHBondContact O-CD2 2.9Å; L33-F37 PolarHBondContact O-N 3.48Å
34	S	62.4	Low	61.8	Low	73 Å²	73	119.7 Å²	119.7	51%	0.51	61%	0.611	S	S	.	*	H	α-helix	trans	-62	-35.6	176.7	53.5	0	0	0	0	113.6	R32 F37 I38	R32-S34 PolarHBondContact O-N 3.22Å; R32-S34 VanDerWaalsContact O-N 3.16Å; S34-F37 PolarHBondContact O-N 3.42Å; S34-I38 WeakPolarHBondContact O-CG1 3.47Å; S34-I38 PolarHBondContact O-N 3.29Å
35	E	68.4	Low	63.6	Low	75 Å²	75	113.4 Å²	113.4	35%	0.35	60%	0.595	S	S	.	*	H	α-helix	trans	-75.3	-34.1	178.6	-64.9	160.3	175.6	0	0	111.1	L31 R32 L33 I38 L39	L31-E35 HydrophobicContact CB-CB 4.32Å; L31-E35 HydrophobicContact CD2-CB 4.18Å; R32-E35 HydrophobicContact CB-CG 4.38Å; R32-E35 PolarHBondContact N-OE2 3.5Å; R32-E35 WeakPolarHBondContact O-CB 3.31Å; R32-E35 PolarHBondContact O-N 2.81Å; L33-E35 VanDerWaalsContact C-N 3.33Å; L33-E35 PolarHBondContact O-N 2.72Å; E35-I38 PolarHBondContact O-N 3.33Å; E35-L39 PolarHBondContact O-N 2.89Å; E35-L39 VanDerWaalsContact O-N 3.07Å
36	K	70	Confident	65.2	Low	103 Å²	103	114 Å²	114	45%	0.448	59%	0.585	S	S	.	*	H	α-helix	trans	-65.6	-38.3	172.3	-65.8	179.8	177.2	177.7	0	112	L31 R32 L33 L39 L40	L31-K36 HydrophobicContact CB-CG 3.9Å; L31-K36 VanDerWaalsContact O-CE 3.26Å; L31-K36 WeakPolarHBondContact O-CE 3.46Å; R32-K36 PolarHBondContact O-N 2.86Å; R32-K36 VanDerWaalsContact O-N 3.11Å; L33-K36 PolarHBondContact O-N 3.04Å; K36-L39 PolarHBondContact O-N 2.94Å; K36-L40 WeakPolarHBondContact O-CB 3.2Å; K36-L40 PolarHBondContact O-N 3.45Å
37	F	69.9	Low	67	Low	125 Å²	125	109.2 Å²	109.2	55%	0.548	57%	0.565	S	S	.	*	H	α-helix	trans	-65.8	-39	175.4	-91.5	-75.4	0	0	0	112.6	L33 S34 L40 L41	L33-F37 HydrophobicContact CD2-CD2 4.34Å; L33-F37 HydrophobicContact CD2-CE2 3.88Å; L33-F37 HydrophobicContact CG-CD2 4.23Å; L33-F37 HydrophobicContact CG-CE2 4.06Å; L33-F37 VanDerWaalsContact O-CD2 3.29Å; L33-F37 WeakPolarHBondContact O-CD2 2.9Å; L33-F37 PolarHBondContact O-N 3.48Å; S34-F37 PolarHBondContact O-N 3.42Å; F37-L40 PolarHBondContact O-N 2.9Å; F37-L41 PolarHBondContact O-N 3.3Å
38	I	75.2	Confident	68.4	Low	100 Å²	100	104.4 Å²	104.4	51%	0.513	55%	0.549	S	S	.	.	H	α-helix	trans	-65.3	-44.2	175.7	-68.3	167.2	0	0	0	110.7	S34 E35 L40 L41 I42	S34-I38 WeakPolarHBondContact O-CG1 3.47Å; S34-I38 PolarHBondContact O-N 3.29Å; E35-I38 PolarHBondContact O-N 3.33Å; I38-L40 VanDerWaalsContact C-N 3.34Å; I38-L40 PolarHBondContact O-N 3.25Å; I38-L41 PolarHBondContact O-N 3.36Å; I38-I42 HydrophobicContact CG2-CD1 3.89Å; I38-I42 WeakPolarHBondContact O-CG1 3.34Å; I38-I42 PolarHBondContact O-N 3.29Å
39	L	70.5	Confident	69.7	Low	94 Å²	94	102.2 Å²	102.2	49%	0.492	55%	0.55	S	S	.	.	H	α-helix	trans	-63.2	-38.7	175.9	-83.3	159.9	0	0	0	112.7	L31 E35 K36 I42 L43	L31-L39 HydrophobicContact CD1-CD1 3.6Å; E35-L39 PolarHBondContact O-N 2.89Å; E35-L39 VanDerWaalsContact O-N 3.07Å; K36-L39 PolarHBondContact O-N 2.94Å; L39-I42 PolarHBondContact O-N 2.89Å; L39-L43 WeakPolarHBondContact O-CB 3.43Å; L39-L43 PolarHBondContact O-N 2.88Å
40	L	75.1	Confident	69.9	Low	112 Å²	112	100.5 Å²	100.5	59%	0.586	53%	0.531	S	S	*	.	H	α-helix	trans	-64.7	-39.5	173.7	-97.5	157.5	0	0	0	112.5	K36 F37 I38 L43 S44	K36-L40 WeakPolarHBondContact O-CB 3.2Å; K36-L40 PolarHBondContact O-N 3.45Å; F37-L40 PolarHBondContact O-N 2.9Å; I38-L40 VanDerWaalsContact C-N 3.34Å; I38-L40 PolarHBondContact O-N 3.25Å; L40-L43 PolarHBondContact O-N 2.98Å; L40-S44 WeakPolarHBondContact O-CB 3.31Å; L40-S44 PolarHBondContact O-N 3.09Å
41	L	77.2	Confident	69.8	Low	121 Å²	121	101.3 Å²	101.3	63%	0.634	53%	0.526	S	S	*	.	H	α-helix	trans	-65.2	-41.5	175.2	-89.2	161.4	0	0	0	112.1	F37 I38 S44 A45	F37-L41 PolarHBondContact O-N 3.3Å; I38-L41 PolarHBondContact O-N 3.36Å; L41-S44 PolarHBondContact O-N 3.01Å; L41-A45 WeakPolarHBondContact O-CB 3.33Å; L41-A45 PolarHBondContact O-N 3.49Å
42	I	76.2	Confident	68.9	Low	106 Å²	106	98.9 Å²	98.9	54%	0.544	52%	0.522	S	S	.	.	H	α-helix	trans	-65.8	-45.2	176.7	-67	166.6	0	0	0	110.6	I38 L39 A45 F46	I38-I42 HydrophobicContact CG2-CD1 3.89Å; I38-I42 WeakPolarHBondContact O-CG1 3.34Å; I38-I42 PolarHBondContact O-N 3.29Å; L39-I42 PolarHBondContact O-N 2.89Å; I42-A45 PolarHBondContact O-N 3Å; I42-F46 WeakPolarHBondContact O-CB 3.3Å; I42-F46 PolarHBondContact O-N 3.27Å
43	L	72	Confident	67.8	Low	103 Å²	103	95.8 Å²	95.8	54%	0.539	53%	0.527	S	S	.	.	H	α-helix	trans	-64.5	-41.4	177.4	-166.2	79.4	0	0	0	111.4	L39 L40 F46 I47	L39-L43 WeakPolarHBondContact O-CB 3.43Å; L39-L43 PolarHBondContact O-N 2.88Å; L40-L43 PolarHBondContact O-N 2.98Å; L43-F46 PolarHBondContact O-N 3.46Å; L43-I47 HydrophobicContact CD2-CD1 4.46Å; L43-I47 HydrophobicContact CG-CD1 4.16Å; L43-I47 VanDerWaalsContact O-CG1 3.29Å; L43-I47 WeakPolarHBondContact O-CG1 3.32Å; L43-I47 PolarHBondContact O-N 2.78Å
44	S	73.8	Confident	67.2	Low	65 Å²	65	98 Å²	98	46%	0.455	53%	0.531	S	S	.	.	H	α-helix	trans	-58	-51.9	174	176.2	0	0	0	0	110.7	L40 L41 F46 I47 T48	L40-S44 WeakPolarHBondContact O-CB 3.31Å; L40-S44 PolarHBondContact O-N 3.09Å; L41-S44 PolarHBondContact O-N 3.01Å; S44-F46 VanDerWaalsContact C-N 3.28Å; S44-F46 PolarHBondContact O-N 3.14Å; S44-I47 PolarHBondContact O-N 3.46Å; S44-T48 PolarHBondContact O-N 3.44Å; S44-T48 PolarHBondContact O-OG1 2.92Å
45	A	73	Confident	66.6	Low	60 Å²	60	102.9 Å²	102.9	50%	0.496	54%	0.544	S	S	.	.	H	α-helix	trans	-60.1	-38.7	179.7	0	0	0	0	0	112.2	L41 I42 T48 L49	L41-A45 WeakPolarHBondContact O-CB 3.33Å; L41-A45 PolarHBondContact O-N 3.49Å; I42-A45 PolarHBondContact O-N 3Å; A45-T48 PolarHBondContact O-N 2.93Å; A45-L49 WeakPolarHBondContact O-CB 3.47Å; A45-L49 PolarHBondContact O-N 3.44Å
46	F	68.1	Low	65.4	Low	136 Å²	136	108.4 Å²	108.4	60%	0.596	57%	0.567	S	S	*	*	H	α-helix	trans	-66.2	-42.9	176.8	-163.8	-98.2	0	0	0	112.1	I42 L43 S44 L49 C50	I42-F46 WeakPolarHBondContact O-CB 3.3Å; I42-F46 PolarHBondContact O-N 3.27Å; L43-F46 PolarHBondContact O-N 3.46Å; S44-F46 VanDerWaalsContact C-N 3.28Å; S44-F46 PolarHBondContact O-N 3.14Å; F46-L49 PolarHBondContact O-N 2.9Å; F46-C50 WeakPolarHBondContact O-CB 3.25Å; F46-C50 PolarHBondContact O-N 2.61Å; F46-C50 PolarHBondContact O-SG 2.9Å
47	I	74.8	Confident	64	Low	85 Å²	85	110.5 Å²	110.5	44%	0.436	58%	0.582	S	S	.	*	H	α-helix	trans	-64.2	-43.6	174.7	-67.6	168.8	0	0	0	110.4	L43 S44 L49 C50 F51	L43-I47 HydrophobicContact CD2-CD1 4.46Å; L43-I47 HydrophobicContact CG-CD1 4.16Å; L43-I47 VanDerWaalsContact O-CG1 3.29Å; L43-I47 WeakPolarHBondContact O-CG1 3.32Å; L43-I47 PolarHBondContact O-N 2.78Å; S44-I47 PolarHBondContact O-N 3.46Å; I47-L49 VanDerWaalsContact C-N 3.29Å; I47-L49 PolarHBondContact O-N 3.47Å; I47-C50 PolarHBondContact O-N 2.86Å; I47-F51 HydrophobicContact CG2-CD2 3.72Å; I47-F51 HydrophobicContact CG2-CE2 4.14Å; I47-F51 WeakPolarHBondContact O-CB 3.29Å; I47-F51 WeakPolarHBondContact O-CD2 3.41Å; I47-F51 PolarHBondContact O-N 3.01Å
48	T	69.6	Low	62.4	Low	90 Å²	90	110.4 Å²	110.4	55%	0.552	59%	0.594	S	S	*	*	H	α-helix	trans	-64.7	-34.6	178.3	-36	0	0	0	0	111.9	S44 A45 G52	S44-T48 PolarHBondContact O-N 3.44Å; S44-T48 PolarHBondContact O-OG1 2.92Å; A45-T48 PolarHBondContact O-N 2.93Å; T48-G52 VanDerWaalsContact O-CA 3.31Å; T48-G52 WeakPolarHBondContact O-CA 3.41Å; T48-G52 PolarHBondContact O-N 3.22Å
49	L	65.9	Low	60.4	Low	133 Å²	133	113.3 Å²	113.3	70%	0.696	61%	0.611	S	S	*	*	H	α-helix	trans	-69.8	-44.2	175	-162.4	89.4	0	0	0	111.8	A45 F46 I47	A45-L49 WeakPolarHBondContact O-CB 3.47Å; A45-L49 PolarHBondContact O-N 3.44Å; F46-L49 PolarHBondContact O-N 2.9Å; I47-L49 VanDerWaalsContact C-N 3.29Å; I47-L49 PolarHBondContact O-N 3.47Å
50	C	59.4	Low	58.5	Low	62 Å²	62	114.4 Å²	114.4	42%	0.419	63%	0.626	S	S	.	*	H	α-helix	trans	-69.8	-32.6	-179.8	-69.7	0	0	0	0	113.1	F46 I47	F46-C50 WeakPolarHBondContact O-CB 3.25Å; F46-C50 PolarHBondContact O-N 2.61Å; F46-C50 PolarHBondContact O-SG 2.9Å; I47-C50 PolarHBondContact O-N 2.86Å
51	F	59.6	Low	56.5	Low	126 Å²	126	114 Å²	114	55%	0.553	63%	0.632	S	S	*	*	H	α-helix	trans	-97.1	-22.4	179.6	-76.3	-85.4	0	0	0	113.9	I47 A53 F54	I47-F51 HydrophobicContact CG2-CD2 3.72Å; I47-F51 HydrophobicContact CG2-CE2 4.14Å; I47-F51 WeakPolarHBondContact O-CB 3.29Å; I47-F51 WeakPolarHBondContact O-CD2 3.41Å; I47-F51 PolarHBondContact O-N 3.01Å; F51-A53 PolarHBondContact O-N 3.26Å; F51-F54 WeakPolarHBondContact O-CB 3.32Å; F51-F54 PolarHBondContact O-N 2.95Å
52	G	46.4	Very low	54.3	Low	37 Å²	37	117.8 Å²	117.8	38%	0.381	64%	0.644	S	S	.	*	H	α-helix	trans	-64.1	-28.2	174.2	0	0	0	0	0	113.1	T48 F54 F55	T48-G52 VanDerWaalsContact O-CA 3.31Å; T48-G52 WeakPolarHBondContact O-CA 3.41Å; T48-G52 PolarHBondContact O-N 3.22Å; G52-F54 PolarHBondContact O-N 3.08Å; G52-F55 PolarHBondContact O-N 2.93Å
53	A	52.6	Low	52.4	Low	78 Å²	78	121.7 Å²	121.7	65%	0.645	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	-15.3	173	0	0	0	0	0	113.8	F51	F51-A53 PolarHBondContact O-N 3.26Å
54	F	51.7	Low	50.4	Low	173 Å²	173	126.4 Å²	126.4	76%	0.759	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	-17.5	178.1	-101.6	-87.1	0	0	0	113.8	F51 G52	F51-F54 WeakPolarHBondContact O-CB 3.32Å; F51-F54 PolarHBondContact O-N 2.95Å; G52-F54 PolarHBondContact O-N 3.08Å
55	F	48.1	Very low	48.3	Very low	176 Å²	176	134.4 Å²	134.4	77%	0.772	70%	0.696	S	S	*	*	S	Bend	trans	-105.4	-2.3	-173.9	-82.8	-82.5	0	0	0	115.1	G52	G52-F55 PolarHBondContact O-N 2.93Å
56	F	43.3	Very low	46	Very low	191 Å²	191	142.1 Å²	142.1	84%	0.838	72%	0.719	S	S	*	*			trans	-111.4	40.9	178.4	-95.6	-79.5	0	0	0	113.6
57	L	41.7	Very low	44.1	Very low	147 Å²	147	142.6 Å²	142.6	77%	0.77	73%	0.727	S	S	*	*	S	Bend	trans	-103.9	121.5	157.4	-74.7	169.9	0	0	0	108.3	D59	L57-D59 PolarHBondContact O-N 3.39Å
58	P	36.7	Very low	42	Very low	124 Å²	124	146.6 Å²	146.6	81%	0.805	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-66.6	128.1	178.7	24.7	-29.2	0	0	0	110.5	S60	P58-S60 PolarHBondContact O-N 3.28Å
59	D	32.9	Very low	40.1	Very low	161 Å²	161	145.9 Å²	145.9	86%	0.861	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-66.2	121	174	-133	-18	0	0	0	109.9	L57	L57-D59 PolarHBondContact O-N 3.39Å
60	S	31.3	Very low	38.6	Very low	116 Å²	116	147.5 Å²	147.5	81%	0.811	77%	0.767	S	S	*	*			trans	-138.3	99.2	152.7	84.2	0	0	0	0	109.4	P58 K62	P58-S60 PolarHBondContact O-N 3.28Å; S60-K62 PolarHBondContact O-N 2.92Å
61	S	31.7	Very low	37.2	Very low	103 Å²	103	153.1 Å²	153.1	72%	0.72	79%	0.788	S	S	*	*			trans	-53.7	123.5	172.8	55.8	0	0	0	0	113.1
62	K	31.5	Very low	35.7	Very low	201 Å²	201	154.5 Å²	154.5	87%	0.874	80%	0.801	S	S	*	*			trans	-177.3	98.3	134.8	-98.4	165.3	-171	-175.6	0	111.1	S60	S60-K62 PolarHBondContact O-N 2.92Å
63	H	36.8	Very low	34.9	Very low	188 Å²	188	159.7 Å²	159.7	87%	0.87	83%	0.825	S	S	*	*			trans	16.9	116.3	154.1	-76.7	60.3	0	0	0	119.3
64	K	29.6	Very low	33.8	Very low	203 Å²	203	163.5 Å²	163.5	88%	0.883	83%	0.833	S	S	*	*				-175.7	136.8	122.9	-101.2	168.3	-175.6	-177.1	0	111.8
65	R	29.1	Very low	32.8	Very low	233 Å²	233	162.4 Å²	162.4	88%	0.879	83%	0.834	S	S	*	*			trans	18.2	115.3	156.2	-85.3	175.3	168.3	165	-5	117.7	D67	R65-D67 PolarHBondContact O-N 3.33Å; R65-D67 VanDerWaalsContact O-N 3.12Å
66	F	24.9	Very low	31.9	Very low	222 Å²	222	159.5 Å²	159.5	97%	0.974	83%	0.833	S	S	*	*			trans	-65.9	102.3	150.6	-99.7	-94.3	0	0	0	108.2
67	D	27.5	Very low	31.1	Very low	145 Å²	145	159.4 Å²	159.4	78%	0.775	84%	0.835	S	S	*	*			trans	-89.5	117.2	167.4	-144.3	-8.4	0	0	0	107.3	R65 G69	R65-D67 PolarHBondContact O-N 3.33Å; R65-D67 VanDerWaalsContact O-N 3.12Å; D67-G69 PolarHBondContact O-N 3.28Å
68	L	31.7	Very low	30.5	Very low	170 Å²	170	158.9 Å²	158.9	89%	0.89	84%	0.837	S	S	*	*			trans	-75.2	104	172.7	-107.1	151.7	0	0	0	106.5	L70	L68-L70 PolarHBondContact O-N 3.48Å
69	G	28.6	Very low	30.1	Very low	74 Å²	74	160.4 Å²	160.4	76%	0.763	84%	0.838	S	S	*	*			trans	-41.2	115.4	-174.5	0	0	0	0	0	114.3	D67	D67-G69 PolarHBondContact O-N 3.28Å
70	L	34.4	Very low	29.8	Very low	167 Å²	167	157.8 Å²	157.8	87%	0.874	84%	0.839	S	S	*	*			trans	-119.1	58.6	159.8	-158.5	98.2	0	0	0	108.2	L68	L68-L70 PolarHBondContact O-N 3.48Å
71	E	30.7	Very low	29.6	Very low	180 Å²	180	155.9 Å²	155.9	84%	0.841	84%	0.838	S	S	*	*			trans	-161.4	100.5	172	-110	145.5	-167.7	0	0	108.1
72	D	28.6	Very low	29.6	Very low	156 Å²	156	161.3 Å²	161.3	83%	0.834	85%	0.849	S	S	*	*			trans	173.1	72.7	146.7	-87	-18.9	0	0	0	109.2
73	V	29.7	Very low	29.4	Very low	146 Å²	146	155.4 Å²	155.4	89%	0.885	85%	0.845	S	S	*	*			trans	-104.2	102.6	151.9	174.9	0	0	0	0	106	I75	V73-I75 PolarHBondContact O-N 2.94Å
74	L	28.5	Very low	28.9	Very low	157 Å²	157	151.7 Å²	151.7	82%	0.822	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-53	123.6	175.3	-84.2	112.1	0	0	0	111.9
75	I	31.1	Very low	28.9	Very low	151 Å²	151	152 Å²	152	77%	0.774	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-86.5	134.3	151.3	-60.4	171	0	0	0	106.4	V73 H77	V73-I75 PolarHBondContact O-N 2.94Å; I75-H77 PolarHBondContact O-N 3.47Å
76	P	28.6	Very low	28.7	Very low	115 Å²	115	148.3 Å²	148.3	75%	0.747	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-70	125.3	174.7	-9.1	24.4	0	0	0	110.3
77	H	27.6	Very low	29.7	Very low	189 Å²	189	143.5 Å²	143.5	88%	0.875	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-69.4	124.2	164.7	-103.2	-61	0	0	0	109.7	I75	I75-H77 PolarHBondContact O-N 3.47Å
78	V	28.3	Very low	29.7	Very low	135 Å²	135	139.9 Å²	139.9	82%	0.818	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-95.4	120.9	158.6	174.1	0	0	0	0	107
79	D	28	Very low	29.5	Very low	156 Å²	156	138.6 Å²	138.6	83%	0.834	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-65.4	130.8	178.7	-84.7	-41.9	0	0	0	112.3
80	A	27.5	Very low	29.5	Very low	107 Å²	107	144.3 Å²	144.3	88%	0.884	84%	0.837	S	S	*	*			trans	-97.9	103.4	166.4	0	0	0	0	0	109.7
81	G	27.6	Very low	29.3	Very low	75 Å²	75	144 Å²	144	77%	0.773	84%	0.835	S	S	*	*			trans	-115.2	128.8	169.2	0	0	0	0	0	111.3
82	K	30.7	Very low	29.6	Very low	218 Å²	218	142.5 Å²	142.5	95%	0.948	83%	0.831	S	S	*	*			trans	-64.7	141.8	-168	-66.9	168.9	173.9	172.2	0	115.7
83	G	27.5	Very low	29.9	Very low	77 Å²	77	142.7 Å²	142.7	79%	0.794	83%	0.827	S	S	*	*			trans	129.9	103.2	131.7	0	0	0	0	0	117.8
84	A	26.5	Very low	30.4	Very low	110 Å²	110	138 Å²	138	91%	0.909	81%	0.809	S	S	*	*			trans	-179.1	155	130.4	0	0	0	0	0	112.2
85	K	29.3	Very low	31	Very low	208 Å²	208	136.4 Å²	136.4	90%	0.904	81%	0.808	S	S	*	*			trans	-65.1	150.1	-166.6	-64.6	160.5	174.8	177.3	0	116.2
86	N	26.1	Very low	31.8	Very low	157 Å²	157	134.7 Å²	134.7	84%	0.84	80%	0.8	S	S	*	*			trans	-12.2	170.5	154.4	-80.7	-0.1	0	0	0	119.9
87	P	44.5	Very low	32.6	Very low	120 Å²	120	134.9 Å²	134.9	78%	0.779	79%	0.791	S	S	*	*			cis	-136.2	167.3	-36.2	37.3	-20.4	0	0	0	112.7
88	G	27.3	Very low	33.7	Very low	69 Å²	69	132.9 Å²	132.9	71%	0.711	78%	0.782	S	S	*	*			trans	158.4	126.6	158.4	0	0	0	0	0	117.8
89	V	27.8	Very low	34.7	Very low	144 Å²	144	134.7 Å²	134.7	87%	0.873	77%	0.774	S	S	*	*			trans	92.4	106.2	155.1	-164.9	0	0	0	0	117.4
90	F	30.3	Very low	35.9	Very low	193 Å²	193	133.4 Å²	133.4	85%	0.846	76%	0.762	S	S	*	*			trans	-56.6	135.7	163.5	-123.5	-105.9	0	0	0	111.9
91	L	29.2	Very low	37.2	Very low	162 Å²	162	136.3 Å²	136.3	85%	0.848	75%	0.75	S	S	*	*			trans	-143.8	136.3	153.6	-102.8	157.5	0	0	0	109.1
92	I	37.3	Very low	39	Very low	148 Å²	148	138.1 Å²	138.1	76%	0.759	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-79.7	128.2	-157.7	-65.9	158.9	0	0	0	111.1
93	H	35.4	Very low	40.3	Very low	159 Å²	159	133 Å²	133	74%	0.736	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-87.7	119.1	166.5	-86.6	-55.7	0	0	0	110.9
94	G	38.8	Very low	41.9	Very low	49 Å²	49	134.1 Å²	134.1	51%	0.505	70%	0.703	S	S	.	*	P	Polyproline II helix	trans	-81.1	171.5	167.4	0	0	0	0	0	113	D96	G94-D96 VanDerWaalsContact C-N 3.33Å; G94-D96 PolarHBondContact O-N 3.24Å; G94-D96 VanDerWaalsContact O-N 3.11Å
95	P	41.7	Very low	44	Very low	123 Å²	123	134.5 Å²	134.5	80%	0.799	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	21.4	-159.7	30.9	-29.9	0	0	0	116.7
96	D	47.4	Very low	46.1	Very low	115 Å²	115	133.2 Å²	133.2	62%	0.615	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	-14	-175	-96.4	-30.5	0	0	0	115.6	G94 H98	G94-D96 VanDerWaalsContact C-N 3.33Å; G94-D96 PolarHBondContact O-N 3.24Å; G94-D96 VanDerWaalsContact O-N 3.11Å; D96-H98 PolarHBondContact O-N 3.25Å
97	E	46	Very low	48.1	Very low	119 Å²	119	131 Å²	131	56%	0.556	66%	0.662	S	S	*	*	H	α-helix	trans	-71.6	-27	179.3	-88.9	-165	151.9	0	0	113.8	R99 R101	E97-R99 VanDerWaalsContact C-N 3.35Å; E97-R101 PolarHBondContact O-N 2.74Å
98	H	49.7	Very low	49.4	Very low	147 Å²	147	132.5 Å²	132.5	68%	0.681	65%	0.653	S	S	*	*	H	α-helix	trans	-71.9	-31.6	179.9	-93.8	-78.7	0	0	0	112.5	D96 E102	D96-H98 PolarHBondContact O-N 3.25Å; H98-E102 PolarHBondContact O-N 3.03Å
99	R	51	Low	51.9	Low	172 Å²	172	133.5 Å²	133.5	65%	0.649	64%	0.642	S	S	*	*	H	α-helix	trans	-77.3	-36	-176.2	-153.1	174.3	163.9	-167.9	-5.9	112.1	E97 E103	E97-R99 VanDerWaalsContact C-N 3.35Å; R99-E103 PolarHBondContact O-N 2.98Å
100	H	53.5	Low	54.4	Low	129 Å²	129	133.1 Å²	133.1	60%	0.597	63%	0.628	S	S	*	*	H	α-helix	trans	-67.1	-36.7	172.4	-99	-72.8	0	0	0	113	E103 E104	H100-E103 PolarHBondContact O-N 3.37Å; H100-E104 PolarHBondContact O-N 2.92Å; H100-E104 VanDerWaalsContact O-N 3.09Å
101	R	54.7	Low	56.5	Low	169 Å²	169	128.8 Å²	128.8	64%	0.638	61%	0.613	S	S	*	*	H	α-helix	trans	-70	-36.7	-179.4	-154.8	179.9	-85	-173.5	-2	112	E97 E105	E97-R101 PolarHBondContact O-N 2.74Å; R101-E105 WeakPolarHBondContact O-CB 3.47Å; R101-E105 PolarHBondContact O-N 3.44Å; R101-E105 VanDerWaalsContact O-N 3.16Å
102	E	63.8	Low	58.7	Low	112 Å²	112	129.4 Å²	129.4	52%	0.523	60%	0.604	S	S	.	*	H	α-helix	trans	-67.5	-37	173.4	-76.2	-176.1	174.2	0	0	113.2	H98 E105 R106	H98-E102 PolarHBondContact O-N 3.03Å; E102-E105 PolarHBondContact O-N 3.4Å; E102-R106 WeakPolarHBondContact O-CG 3.34Å; E102-R106 PolarHBondContact O-N 2.87Å
103	E	58.5	Low	60.8	Low	111 Å²	111	124.8 Å²	124.8	52%	0.519	59%	0.588	S	S	.	*	H	α-helix	trans	-69.7	-39.8	177.3	-77.9	-174.9	170.6	0	0	112.6	R99 H100 E105 R106 L107	R99-E103 PolarHBondContact O-N 2.98Å; H100-E103 PolarHBondContact O-N 3.37Å; E103-E105 VanDerWaalsContact C-N 3.33Å; E103-E105 PolarHBondContact O-N 3.12Å; E103-R106 PolarHBondContact O-N 2.87Å; E103-L107 WeakPolarHBondContact O-CB 3.44Å; E103-L107 PolarHBondContact O-N 3.26Å
104	E	61.4	Low	62.8	Low	100 Å²	100	121.5 Å²	121.5	47%	0.467	58%	0.576	S	S	.	*	H	α-helix	trans	-64.1	-38.1	173.6	-77.2	-167	161.8	0	0	112.5	H100 L107 R108	H100-E104 PolarHBondContact O-N 2.92Å; H100-E104 VanDerWaalsContact O-N 3.09Å; E104-L107 PolarHBondContact O-N 2.64Å; E104-R108 WeakPolarHBondContact O-CG 3.46Å; E104-R108 PolarHBondContact O-N 3.08Å; E104-R108 IonicContact OE2-CZ 2.74Å; E104-R108 IonicContact OE2-NH2 3.57Å; E104-R108 PolarHBondContact OE2-NH2 3.44Å
105	E	70.3	Confident	64.6	Low	119 Å²	119	125.3 Å²	125.3	56%	0.556	58%	0.58	S	S	*	*	H	α-helix	trans	-69.6	-39.2	178.3	-164.1	168.7	-164.9	0	0	111.3	R101 E102 E103 L107 R108 N109	R101-E105 WeakPolarHBondContact O-CB 3.47Å; R101-E105 PolarHBondContact O-N 3.44Å; R101-E105 VanDerWaalsContact O-N 3.16Å; E102-E105 PolarHBondContact O-N 3.4Å; E103-E105 VanDerWaalsContact C-N 3.33Å; E103-E105 PolarHBondContact O-N 3.12Å; E105-L107 PolarHBondContact O-N 3.09Å; E105-R108 PolarHBondContact O-N 2.83Å; E105-N109 WeakPolarHBondContact O-CB 3.43Å; E105-N109 PolarHBondContact O-N 3.18Å; E105-N109 PolarHBondContact O-ND2 3.44Å
106	R	74.1	Confident	66.4	Low	181 Å²	181	125.4 Å²	125.4	68%	0.683	57%	0.57	S	S	*	*	H	α-helix	trans	-61	-41.8	170.2	-76.9	178.8	-178.8	-177.1	3.5	112.3	E102 E103 N109 K110	E102-R106 WeakPolarHBondContact O-CG 3.34Å; E102-R106 PolarHBondContact O-N 2.87Å; E103-R106 PolarHBondContact O-N 2.87Å; R106-N109 PolarHBondContact O-N 3.43Å; R106-K110 WeakPolarHBondContact O-CB 3.44Å; R106-K110 PolarHBondContact O-N 3.4Å
107	L	67.8	Low	68.1	Low	109 Å²	109	126.1 Å²	126.1	57%	0.571	57%	0.568	S	S	*	*	H	α-helix	trans	-66.4	-43.3	178.9	-167.9	70.1	0	0	0	111.5	E103 E104 E105 N109 K110 I111	E103-L107 WeakPolarHBondContact O-CB 3.44Å; E103-L107 PolarHBondContact O-N 3.26Å; E104-L107 PolarHBondContact O-N 2.64Å; E105-L107 PolarHBondContact O-N 3.09Å; L107-N109 PolarHBondContact O-N 2.98Å; L107-K110 PolarHBondContact O-N 3.45Å; L107-I111 HydrophobicContact CG-CD1 4.18Å; L107-I111 VanDerWaalsContact O-CG1 3.28Å; L107-I111 WeakPolarHBondContact O-CG1 3.42Å; L107-I111 PolarHBondContact O-N 2.79Å
108	R	70.8	Confident	69.3	Low	152 Å²	152	123 Å²	123	57%	0.574	56%	0.562	S	S	*	*	H	α-helix	trans	-62	-42.2	174.7	-74.3	177.7	-129.4	-99.3	1.6	112.1	E104 E105 K110 I111 R112	E104-R108 WeakPolarHBondContact O-CG 3.46Å; E104-R108 PolarHBondContact O-N 3.08Å; E104-R108 IonicContact OE2-CZ 2.74Å; E104-R108 IonicContact OE2-NH2 3.57Å; E104-R108 PolarHBondContact OE2-NH2 3.44Å; E105-R108 PolarHBondContact O-N 2.83Å; R108-K110 VanDerWaalsContact C-N 3.32Å; R108-K110 PolarHBondContact O-N 2.91Å; R108-I111 PolarHBondContact O-N 3.25Å; R108-R112 WeakPolarHBondContact O-CB 3.07Å; R108-R112 PolarHBondContact O-N 3.48Å
109	N	79.6	Confident	70.3	Confident	91 Å²	91	119.9 Å²	119.9	49%	0.487	55%	0.55	S	S	.	*	H	α-helix	trans	-65.6	-37.1	177.2	-72.8	-24.6	0	0	0	111.9	E105 R106 L107 R112 A113	E105-N109 WeakPolarHBondContact O-CB 3.43Å; E105-N109 PolarHBondContact O-N 3.18Å; E105-N109 PolarHBondContact O-ND2 3.44Å; R106-N109 PolarHBondContact O-N 3.43Å; L107-N109 PolarHBondContact O-N 2.98Å; N109-R112 PolarHBondContact O-N 3.44Å; N109-A113 WeakPolarHBondContact O-CB 3.26Å; N109-A113 PolarHBondContact O-N 2.95Å
110	K	80.4	Confident	71.5	Confident	135 Å²	135	116.5 Å²	116.5	59%	0.587	54%	0.542	S	S	*	.	H	α-helix	trans	-66.2	-45.5	174.1	-168.4	174.5	-178.8	179.8	0	112.1	R106 L107 R108 R112 A113 D114	R106-K110 WeakPolarHBondContact O-CB 3.44Å; R106-K110 PolarHBondContact O-N 3.4Å; L107-K110 PolarHBondContact O-N 3.45Å; R108-K110 VanDerWaalsContact C-N 3.32Å; R108-K110 PolarHBondContact O-N 2.91Å; K110-R112 VanDerWaalsContact C-N 3.29Å; K110-R112 PolarHBondContact O-N 3.11Å; K110-A113 PolarHBondContact O-N 3.47Å; K110-D114 WeakPolarHBondContact O-CB 3.31Å; K110-D114 VanDerWaalsContact O-CG 3.3Å; K110-D114 PolarHBondContact O-N 3.39Å
111	I	75.3	Confident	72.6	Confident	103 Å²	103	114.9 Å²	114.9	53%	0.528	54%	0.535	S	S	.	.	H	α-helix	trans	-59.5	-41.6	175.7	-69	164.5	0	0	0	110.9	L107 R108 D114 H115	L107-I111 HydrophobicContact CG-CD1 4.18Å; L107-I111 VanDerWaalsContact O-CG1 3.28Å; L107-I111 WeakPolarHBondContact O-CG1 3.42Å; L107-I111 PolarHBondContact O-N 2.79Å; R108-I111 PolarHBondContact O-N 3.25Å; I111-D114 PolarHBondContact O-N 3.45Å; I111-H115 VanDerWaalsContact O-CB 3.31Å; I111-H115 WeakPolarHBondContact O-CB 3.39Å; I111-H115 PolarHBondContact O-N 2.92Å
112	R	75.4	Confident	73.3	Confident	175 Å²	175	109.1 Å²	109.1	66%	0.66	52%	0.523	S	S	*	.	H	α-helix	trans	-64.6	-45.1	177.3	-169.1	-179.6	-128.4	165.2	1.7	111.9	R108 N109 K110 H115 E116	R108-R112 WeakPolarHBondContact O-CB 3.07Å; R108-R112 PolarHBondContact O-N 3.48Å; N109-R112 PolarHBondContact O-N 3.44Å; K110-R112 VanDerWaalsContact C-N 3.29Å; K110-R112 PolarHBondContact O-N 3.11Å; R112-H115 PolarHBondContact O-N 2.97Å; R112-E116 PolarHBondContact O-N 2.8Å
113	A	81.8	Confident	73.7	Confident	51 Å²	51	108.7 Å²	108.7	42%	0.421	52%	0.519	S	S	.	.	H	α-helix	trans	-64.3	-41.3	177.7	0	0	0	0	0	112.1	N109 K110 H115 E116 K117	N109-A113 WeakPolarHBondContact O-CB 3.26Å; N109-A113 PolarHBondContact O-N 2.95Å; K110-A113 PolarHBondContact O-N 3.47Å; A113-H115 VanDerWaalsContact C-N 3.33Å; A113-E116 PolarHBondContact O-N 3.24Å; A113-K117 WeakPolarHBondContact O-CB 3.03Å; A113-K117 PolarHBondContact O-N 3.07Å
114	D	76.4	Confident	74.4	Confident	90 Å²	90	109.8 Å²	109.8	48%	0.481	52%	0.524	S	S	.	.	H	α-helix	trans	-66.2	-37.5	176.4	-71	-22	0	0	0	111.2	K110 I111 K117 A118	K110-D114 WeakPolarHBondContact O-CB 3.31Å; K110-D114 VanDerWaalsContact O-CG 3.3Å; K110-D114 PolarHBondContact O-N 3.39Å; I111-D114 PolarHBondContact O-N 3.45Å; D114-K117 PolarHBondContact O-N 2.9Å; D114-A118 WeakPolarHBondContact O-CB 3.44Å; D114-A118 PolarHBondContact O-N 3.15Å
115	H	76.8	Confident	74.5	Confident	129 Å²	129	111.4 Å²	111.4	60%	0.597	53%	0.53	S	S	*	.	H	α-helix	trans	-67.8	-43.5	175.5	-167.9	75.7	0	0	0	112.3	I111 R112 A113 K117 A118 L119	I111-H115 VanDerWaalsContact O-CB 3.31Å; I111-H115 WeakPolarHBondContact O-CB 3.39Å; I111-H115 PolarHBondContact O-N 2.92Å; R112-H115 PolarHBondContact O-N 2.97Å; A113-H115 VanDerWaalsContact C-N 3.33Å; H115-K117 VanDerWaalsContact C-N 3.34Å; H115-A118 PolarHBondContact O-N 2.9Å; H115-L119 WeakPolarHBondContact O-CB 3.33Å; H115-L119 PolarHBondContact O-N 3.03Å
116	E	79.2	Confident	74.1	Confident	124 Å²	124	112.9 Å²	112.9	58%	0.579	54%	0.541	S	S	*	.	H	α-helix	trans	-61.9	-41.8	173.9	-86	-179.7	159	0	0	111.8	R112 A113 L119 E120	R112-E116 PolarHBondContact O-N 2.8Å; A113-E116 PolarHBondContact O-N 3.24Å; E116-L119 WeakPolarHBondContact O-CB 3.31Å; E116-L119 PolarHBondContact O-N 2.9Å; E116-E120 PolarHBondContact O-N 2.93Å
117	K	82.9	Confident	73.7	Confident	130 Å²	130	115.3 Å²	115.3	57%	0.565	55%	0.55	S	S	*	*	H	α-helix	trans	-61.8	-45.6	176	-172.1	-178.6	176.7	-172.5	0	111.8	A113 D114 H115 L119 E120 E121	A113-K117 WeakPolarHBondContact O-CB 3.03Å; A113-K117 PolarHBondContact O-N 3.07Å; D114-K117 PolarHBondContact O-N 2.9Å; H115-K117 VanDerWaalsContact C-N 3.34Å; K117-L119 VanDerWaalsContact C-N 3.28Å; K117-L119 PolarHBondContact O-N 2.9Å; K117-E120 PolarHBondContact O-N 3.22Å; K117-E121 VanDerWaalsContact CE-OE1 3.31Å; K117-E121 WeakPolarHBondContact CE-OE1 3.33Å; K117-E121 WeakPolarHBondContact O-CG 3.37Å; K117-E121 PolarHBondContact O-N 2.63Å
118	A	71.6	Confident	73.9	Confident	53 Å²	53	113.1 Å²	113.1	44%	0.438	54%	0.536	S	S	.	.	H	α-helix	trans	-63.3	-35.6	176.2	0	0	0	0	0	112.3	D114 H115 A122	D114-A118 WeakPolarHBondContact O-CB 3.44Å; D114-A118 PolarHBondContact O-N 3.15Å; H115-A118 PolarHBondContact O-N 2.9Å; A118-A122 VanDerWaalsContact O-CB 3.31Å; A118-A122 WeakPolarHBondContact O-CB 3.44Å; A118-A122 PolarHBondContact O-N 2.71Å
119	L	71.6	Confident	74	Confident	83 Å²	83	108.5 Å²	108.5	44%	0.435	53%	0.527	S	S	.	.	H	α-helix	trans	-68.8	-40.5	176.7	-157	84.4	0	0	0	111.7	H115 E116 K117 A122 K123	H115-L119 WeakPolarHBondContact O-CB 3.33Å; H115-L119 PolarHBondContact O-N 3.03Å; E116-L119 WeakPolarHBondContact O-CB 3.31Å; E116-L119 PolarHBondContact O-N 2.9Å; K117-L119 VanDerWaalsContact C-N 3.28Å; K117-L119 PolarHBondContact O-N 2.9Å; L119-A122 PolarHBondContact O-N 3.14Å; L119-K123 WeakPolarHBondContact O-CB 3.4Å; L119-K123 VanDerWaalsContact O-CG 3.32Å; L119-K123 WeakPolarHBondContact O-CG 3.46Å; L119-K123 PolarHBondContact O-N 3.14Å
120	E	76.1	Confident	73.5	Confident	100 Å²	100	114.4 Å²	114.4	47%	0.467	54%	0.542	S	S	.	.	H	α-helix	trans	-68.8	-41	175.2	-73.3	-53.7	135.3	0	0	112	E116 K117 A122 K123 E124	E116-E120 PolarHBondContact O-N 2.93Å; K117-E120 PolarHBondContact O-N 3.22Å; E120-A122 VanDerWaalsContact C-N 3.28Å; E120-A122 PolarHBondContact O-N 2.64Å; E120-K123 PolarHBondContact O-N 3.32Å; E120-K123 IonicContact OE1-NZ 3.69Å; E120-K123 PolarHBondContact OE1-NZ 3.24Å; E120-E124 WeakPolarHBondContact O-CB 3.24Å; E120-E124 PolarHBondContact O-N 3.05Å
121	E	76.6	Confident	73.2	Confident	96 Å²	96	115.7 Å²	115.7	45%	0.449	55%	0.551	S	S	.	*	H	α-helix	trans	-60.8	-38	172.2	-74	176.8	-169.3	0	0	111.9	K117 K125	K117-E121 VanDerWaalsContact CE-OE1 3.31Å; K117-E121 WeakPolarHBondContact CE-OE1 3.33Å; K117-E121 WeakPolarHBondContact O-CG 3.37Å; K117-E121 PolarHBondContact O-N 2.63Å; E121-K125 WeakPolarHBondContact O-CB 3.31Å; E121-K125 WeakPolarHBondContact O-CG 3.24Å; E121-K125 PolarHBondContact O-N 2.78Å
122	A	69.6	Low	73.2	Confident	48 Å²	48	115.7 Å²	115.7	40%	0.397	55%	0.548	S	S	.	.	H	α-helix	trans	-68.7	-41.4	175.1	0	0	0	0	0	112.2	A118 L119 E120 K125 L126	A118-A122 VanDerWaalsContact O-CB 3.31Å; A118-A122 WeakPolarHBondContact O-CB 3.44Å; A118-A122 PolarHBondContact O-N 2.71Å; L119-A122 PolarHBondContact O-N 3.14Å; E120-A122 VanDerWaalsContact C-N 3.28Å; E120-A122 PolarHBondContact O-N 2.64Å; A122-K125 PolarHBondContact O-N 3.12Å; A122-L126 WeakPolarHBondContact O-CB 3.47Å; A122-L126 PolarHBondContact O-N 3.31Å
123	K	72.1	Confident	73.2	Confident	103 Å²	103	110.7 Å²	110.7	45%	0.448	53%	0.534	S	S	.	.	H	α-helix	trans	-65.8	-40.4	175.3	-76.4	177	-166.1	165.3	0	112.2	L119 E120 L126 R127	L119-K123 WeakPolarHBondContact O-CB 3.4Å; L119-K123 VanDerWaalsContact O-CG 3.32Å; L119-K123 WeakPolarHBondContact O-CG 3.46Å; L119-K123 PolarHBondContact O-N 3.14Å; E120-K123 PolarHBondContact O-N 3.32Å; E120-K123 IonicContact OE1-NZ 3.69Å; E120-K123 PolarHBondContact OE1-NZ 3.24Å; K123-L126 PolarHBondContact O-N 3.28Å; K123-R127 PolarHBondContact O-N 3.37Å
124	E	72.2	Confident	72.7	Confident	133 Å²	133	116.8 Å²	116.8	62%	0.621	55%	0.546	S	S	*	.	H	α-helix	trans	-61.6	-45.3	174	-83.6	-157.6	147.7	0	0	110.9	E120 L126 R127 K128	E120-E124 WeakPolarHBondContact O-CB 3.24Å; E120-E124 PolarHBondContact O-N 3.05Å; E124-L126 VanDerWaalsContact C-N 3.29Å; E124-L126 PolarHBondContact O-N 3.09Å; E124-R127 PolarHBondContact O-N 2.91Å; E124-R127 VanDerWaalsContact O-N 3.08Å; E124-K128 WeakPolarHBondContact O-CG 3.43Å; E124-K128 PolarHBondContact O-N 3.36Å
125	K	64.3	Low	72.9	Confident	134 Å²	134	115.2 Å²	115.2	58%	0.583	55%	0.545	S	S	*	.	H	α-helix	trans	-62.6	-33.6	175.1	-76.9	178.9	178.9	179.1	0	113.1	E121 A122	E121-K125 WeakPolarHBondContact O-CB 3.31Å; E121-K125 WeakPolarHBondContact O-CG 3.24Å; E121-K125 PolarHBondContact O-N 2.78Å; A122-K125 PolarHBondContact O-N 3.12Å
126	L	60.9	Low	73.1	Confident	151 Å²	151	113.3 Å²	113.3	79%	0.791	54%	0.537	S	S	*	.	H	α-helix	trans	-73.2	-23.8	173.5	-94.9	147.8	0	0	0	113.5	A122 K123 E124	A122-L126 WeakPolarHBondContact O-CB 3.47Å; A122-L126 PolarHBondContact O-N 3.31Å; K123-L126 PolarHBondContact O-N 3.28Å; E124-L126 VanDerWaalsContact C-N 3.29Å; E124-L126 PolarHBondContact O-N 3.09Å
127	R	67.6	Low	73	Confident	232 Å²	232	112.3 Å²	112.3	88%	0.875	53%	0.534	S	S	*	.	H	α-helix	trans	-82.6	-16.4	175.7	-105.5	179.3	72.1	167.9	0.3	113.9	K123 E124	K123-R127 PolarHBondContact O-N 3.37Å; E124-R127 PolarHBondContact O-N 2.91Å; E124-R127 VanDerWaalsContact O-N 3.08Å
128	K	71.7	Confident	72.8	Confident	62 Å²	62	110.5 Å²	110.5	27%	0.27	53%	0.528	S	S	.	.	S	Bend	trans	-67.2	137.4	178.8	-69.8	-175.4	-170.6	-173.4	0	110.7	E124 E132 I133 E136	E124-K128 WeakPolarHBondContact O-CG 3.43Å; E124-K128 PolarHBondContact O-N 3.36Å; K128-E132 WeakPolarHBondContact CA-OE2 3.39Å; K128-E132 HydrophobicContact CB-CB 4.29Å; K128-I133 HydrophobicContact CB-CD1 4.28Å; K128-I133 HydrophobicContact CB-CG1 3.87Å; K128-E136 IonicContact NZ-OE1 3.1Å; K128-E136 PolarHBondContact NZ-OE1 3.33Å; K128-E136 IonicContact NZ-OE2 2.79Å; K128-E136 PolarHBondContact NZ-OE2 3.48Å
129	S	73	Confident	73.4	Confident	55 Å²	55	112.4 Å²	112.4	39%	0.385	53%	0.534	S	S	.	.			trans	-66.2	156.4	174.8	69.1	0	0	0	0	110.7	E131 E132 I133	S129-E131 PolarHBondContact O-N 3.47Å; S129-E132 PolarHBondContact N-OE2 2.84Å; S129-E132 PolarHBondContact O-N 3.01Å; S129-E132 VanDerWaalsContact O-N 3.14Å; S129-E132 WeakPolarHBondContact OG-CG 3.19Å; S129-E132 PolarHBondContact OG-N 3.14Å; S129-E132 PolarHBondContact OG-OE2 3.26Å; S129-I133 PolarHBondContact O-N 2.74Å; S129-I133 VanDerWaalsContact O-N 3.16Å
130	R	68.9	Low	73.7	Confident	215 Å²	215	114.9 Å²	114.9	81%	0.811	54%	0.544	S	S	*	.	H	α-helix	trans	-58.1	-24	177.6	-161	178.4	-176.4	-173.6	1.8	112.7	R134	R130-R134 WeakPolarHBondContact O-CB 3.42Å; R130-R134 PolarHBondContact O-N 3.24Å
131	E	73.2	Confident	73.7	Confident	163 Å²	163	116.1 Å²	116.1	76%	0.762	55%	0.547	S	S	*	.	H	α-helix	trans	-79.4	-41.5	177.8	-65.4	-175.1	165.5	0	0	112.3	S129 R134 A135	S129-E131 PolarHBondContact O-N 3.47Å; E131-R134 PolarHBondContact O-N 3.25Å; E131-A135 WeakPolarHBondContact O-CB 3.38Å; E131-A135 PolarHBondContact O-N 3.44Å
132	E	75.1	Confident	73.7	Confident	103 Å²	103	115.7 Å²	115.7	48%	0.481	55%	0.548	S	S	.	.	H	α-helix	trans	-63.2	-43.6	175	-76.1	166.8	153.4	0	0	111.8	K128 S129 R134 A135 E136	K128-E132 WeakPolarHBondContact CA-OE2 3.39Å; K128-E132 HydrophobicContact CB-CB 4.29Å; S129-E132 PolarHBondContact N-OE2 2.84Å; S129-E132 PolarHBondContact O-N 3.01Å; S129-E132 VanDerWaalsContact O-N 3.14Å; S129-E132 WeakPolarHBondContact OG-CG 3.19Å; S129-E132 PolarHBondContact OG-N 3.14Å; S129-E132 PolarHBondContact OG-OE2 3.26Å; E132-R134 VanDerWaalsContact C-N 3.28Å; E132-R134 PolarHBondContact O-N 3.08Å; E132-A135 PolarHBondContact O-N 2.87Å; E132-E136 PolarHBondContact O-N 3.03Å
133	I	75.3	Confident	74.2	Confident	69 Å²	69	119.8 Å²	119.8	35%	0.354	56%	0.557	S	S	.	*	H	α-helix	trans	-61.2	-40.4	176	-64.5	171.8	0	0	0	110.4	K128 S129 E136 I137	K128-I133 HydrophobicContact CB-CD1 4.28Å; K128-I133 HydrophobicContact CB-CG1 3.87Å; S129-I133 PolarHBondContact O-N 2.74Å; S129-I133 VanDerWaalsContact O-N 3.16Å; I133-E136 PolarHBondContact O-N 3.35Å; I133-I137 HydrophobicContact CG2-CD1 3.84Å; I133-I137 WeakPolarHBondContact O-CB 3.37Å; I133-I137 WeakPolarHBondContact O-CD1 3.38Å; I133-I137 WeakPolarHBondContact O-CG1 3.45Å; I133-I137 PolarHBondContact O-N 3.06Å
134	R	71.6	Confident	74.1	Confident	180 Å²	180	118.3 Å²	118.3	68%	0.679	56%	0.556	S	S	*	*	H	α-helix	trans	-69	-36	178.9	-168.6	-179.7	-94.1	-176.9	-8.2	111.6	R130 E131 E132 Q138	R130-R134 WeakPolarHBondContact O-CB 3.42Å; R130-R134 PolarHBondContact O-N 3.24Å; E131-R134 PolarHBondContact O-N 3.25Å; E132-R134 VanDerWaalsContact C-N 3.28Å; E132-R134 PolarHBondContact O-N 3.08Å; R134-Q138 WeakPolarHBondContact O-CB 3.48Å; R134-Q138 PolarHBondContact O-N 2.99Å
135	A	81.8	Confident	73.9	Confident	56 Å²	56	114.9 Å²	114.9	46%	0.463	55%	0.545	S	S	.	.	H	α-helix	trans	-68.6	-41.1	174.9	0	0	0	0	0	112.2	E131 E132 Q138 T139	E131-A135 WeakPolarHBondContact O-CB 3.38Å; E131-A135 PolarHBondContact O-N 3.44Å; E132-A135 PolarHBondContact O-N 2.87Å; A135-Q138 PolarHBondContact O-N 2.88Å; A135-T139 WeakPolarHBondContact O-CB 3.28Å; A135-T139 PolarHBondContact O-N 3.11Å; A135-T139 PolarHBondContact O-OG1 2.95Å
136	E	80.8	Confident	73.9	Confident	90 Å²	90	115.1 Å²	115.1	42%	0.421	55%	0.548	S	S	.	.	H	α-helix	trans	-62.5	-49.2	174.2	-76.9	-178.1	173.2	0	0	111.2	K128 E132 I133 Q138 T139 E140	K128-E136 IonicContact NZ-OE1 3.1Å; K128-E136 PolarHBondContact NZ-OE1 3.33Å; K128-E136 IonicContact NZ-OE2 2.79Å; K128-E136 PolarHBondContact NZ-OE2 3.48Å; E132-E136 PolarHBondContact O-N 3.03Å; I133-E136 PolarHBondContact O-N 3.35Å; E136-Q138 PolarHBondContact O-N 3.12Å; E136-T139 PolarHBondContact O-N 3.35Å; E136-T139 VanDerWaalsContact O-N 3.09Å; E136-E140 WeakPolarHBondContact O-CB 3.33Å; E136-E140 PolarHBondContact O-N 3.41Å
137	I	77.1	Confident	74.3	Confident	102 Å²	102	113.2 Å²	113.2	52%	0.523	54%	0.535	S	S	.	.	H	α-helix	trans	-55.7	-42.4	175	-69.9	166.5	0	0	0	110.9	I133 K141	I133-I137 HydrophobicContact CG2-CD1 3.84Å; I133-I137 WeakPolarHBondContact O-CB 3.37Å; I133-I137 WeakPolarHBondContact O-CD1 3.38Å; I133-I137 WeakPolarHBondContact O-CG1 3.45Å; I133-I137 PolarHBondContact O-N 3.06Å; I137-K141 WeakPolarHBondContact O-CB 3.5Å; I137-K141 PolarHBondContact O-N 3.09Å
138	Q	78.6	Confident	73.8	Confident	92 Å²	92	106.9 Å²	106.9	43%	0.43	52%	0.516	S	S	.	.	H	α-helix	trans	-69	-37.6	179.7	-170.5	59.7	40.6	0	0	112.2	R134 A135 E136 N142	R134-Q138 WeakPolarHBondContact O-CB 3.48Å; R134-Q138 PolarHBondContact O-N 2.99Å; A135-Q138 PolarHBondContact O-N 2.88Å; E136-Q138 PolarHBondContact O-N 3.12Å; Q138-N142 PolarHBondContact NE2-OD1 3.44Å; Q138-N142 VanDerWaalsContact NE2-OD1 3.11Å; Q138-N142 WeakPolarHBondContact O-CB 3.43Å; Q138-N142 PolarHBondContact O-N 3.23Å; Q138-N142 PolarHBondContact O-ND2 3.14Å; Q138-N142 PolarHBondContact O-OD1 2.81Å
139	T	83.3	Confident	73	Confident	93 Å²	93	110.1 Å²	110.1	57%	0.571	53%	0.53	S	S	*	.	H	α-helix	trans	-66.9	-44.8	177.7	-53.1	0	0	0	0	110.7	A135 E136 N142 K143	A135-T139 WeakPolarHBondContact O-CB 3.28Å; A135-T139 PolarHBondContact O-N 3.11Å; A135-T139 PolarHBondContact O-OG1 2.95Å; E136-T139 PolarHBondContact O-N 3.35Å; E136-T139 VanDerWaalsContact O-N 3.09Å; T139-N142 PolarHBondContact O-N 2.99Å; T139-K143 WeakPolarHBondContact O-CB 3.45Å; T139-K143 PolarHBondContact O-N 2.88Å
140	E	79.1	Confident	72.4	Confident	136 Å²	136	112.4 Å²	112.4	64%	0.636	54%	0.537	S	S	*	.	H	α-helix	trans	-67.3	-40.3	178.5	-149	150.8	-147.6	0	0	110.9	E136 N142 K143 V144	E136-E140 WeakPolarHBondContact O-CB 3.33Å; E136-E140 PolarHBondContact O-N 3.41Å; E140-N142 PolarHBondContact O-N 3.5Å; E140-K143 PolarHBondContact O-N 2.92Å; E140-V144 WeakPolarHBondContact O-CG2 3.41Å; E140-V144 PolarHBondContact O-N 3.35Å
141	K	75.4	Confident	71.7	Confident	126 Å²	126	107.2 Å²	107.2	55%	0.548	52%	0.521	S	S	.	.	H	α-helix	trans	-59.5	-44.6	170.9	-172.8	177.9	-178.6	-179.7	0	112	I137 K143 V144 V145	I137-K141 WeakPolarHBondContact O-CB 3.5Å; I137-K141 PolarHBondContact O-N 3.09Å; K141-K143 VanDerWaalsContact C-N 3.32Å; K141-K143 PolarHBondContact O-N 3.02Å; K141-V144 PolarHBondContact O-N 3.35Å; K141-V145 WeakPolarHBondContact O-CB 3.47Å; K141-V145 WeakPolarHBondContact O-CG2 3.49Å; K141-V145 PolarHBondContact O-N 2.97Å
142	N	77.4	Confident	70.8	Confident	87 Å²	87	106.7 Å²	106.7	47%	0.465	52%	0.518	S	S	.	.	H	α-helix	trans	-65	-37.3	177.5	-71.8	-11.2	0	0	0	111.9	Q138 T139 E140 V145 Q146	Q138-N142 PolarHBondContact NE2-OD1 3.44Å; Q138-N142 VanDerWaalsContact NE2-OD1 3.11Å; Q138-N142 WeakPolarHBondContact O-CB 3.43Å; Q138-N142 PolarHBondContact O-N 3.23Å; Q138-N142 PolarHBondContact O-ND2 3.14Å; Q138-N142 PolarHBondContact O-OD1 2.81Å; T139-N142 PolarHBondContact O-N 2.99Å; E140-N142 PolarHBondContact O-N 3.5Å; N142-V145 PolarHBondContact O-N 3.45Å; N142-Q146 PolarHBondContact O-N 3.39Å
143	K	79.4	Confident	69.6	Low	133 Å²	133	108.5 Å²	108.5	58%	0.578	53%	0.531	S	S	*	.	H	α-helix	trans	-66.2	-45.9	176.5	-163.3	178.6	179.3	-174.9	0	111.6	T139 E140 K141 V145 Q146 E147	T139-K143 WeakPolarHBondContact O-CB 3.45Å; T139-K143 PolarHBondContact O-N 2.88Å; E140-K143 PolarHBondContact O-N 2.92Å; K141-K143 VanDerWaalsContact C-N 3.32Å; K141-K143 PolarHBondContact O-N 3.02Å; K143-V145 VanDerWaalsContact C-N 3.33Å; K143-V145 PolarHBondContact O-N 3.3Å; K143-Q146 PolarHBondContact O-N 2.92Å; K143-E147 WeakPolarHBondContact O-CG 3.44Å; K143-E147 PolarHBondContact O-N 2.84Å
144	V	68.9	Low	68.7	Low	72 Å²	72	112.5 Å²	112.5	44%	0.436	55%	0.546	S	S	.	.	H	α-helix	trans	-60.7	-41.9	173.4	172.8	0	0	0	0	111.1	E140 K141 Q146 E147 M148	E140-V144 WeakPolarHBondContact O-CG2 3.41Å; E140-V144 PolarHBondContact O-N 3.35Å; K141-V144 PolarHBondContact O-N 3.35Å; V144-Q146 VanDerWaalsContact C-N 3.34Å; V144-Q146 PolarHBondContact O-N 3.35Å; V144-E147 PolarHBondContact O-N 3.33Å; V144-M148 HydrophobicContact CG1-CG 4.28Å; V144-M148 HydrophobicContact CG1-SD 4.01Å; V144-M148 WeakPolarHBondContact O-CB 3.39Å; V144-M148 VanDerWaalsContact O-CG 3.24Å; V144-M148 WeakPolarHBondContact O-CG 3.47Å; V144-M148 PolarHBondContact O-N 3.49Å
145	V	69.1	Low	68.3	Low	62 Å²	62	109.8 Å²	109.8	38%	0.376	55%	0.551	S	S	.	*	H	α-helix	trans	-62.8	-39	176.1	168.5	0	0	0	0	111.8	K141 N142 K143 K149	K141-V145 WeakPolarHBondContact O-CB 3.47Å; K141-V145 WeakPolarHBondContact O-CG2 3.49Å; K141-V145 PolarHBondContact O-N 2.97Å; N142-V145 PolarHBondContact O-N 3.45Å; K143-V145 VanDerWaalsContact C-N 3.33Å; K143-V145 PolarHBondContact O-N 3.3Å; V145-K149 WeakPolarHBondContact O-CG 3.45Å; V145-K149 PolarHBondContact O-N 3.31Å; V145-K149 VanDerWaalsContact O-N 3.08Å
146	Q	64.9	Low	67.8	Low	138 Å²	138	109.7 Å²	109.7	65%	0.645	54%	0.543	S	S	*	.	H	α-helix	trans	-67.6	-43.9	173.6	-85.4	-155.2	-26.8	0	0	112.4	N142 K143 V144 M148 K149 I150	N142-Q146 PolarHBondContact O-N 3.39Å; K143-Q146 PolarHBondContact O-N 2.92Å; V144-Q146 VanDerWaalsContact C-N 3.34Å; V144-Q146 PolarHBondContact O-N 3.35Å; Q146-M148 VanDerWaalsContact C-N 3.32Å; Q146-M148 PolarHBondContact O-N 2.74Å; Q146-K149 PolarHBondContact O-N 3.34Å; Q146-I150 VanDerWaalsContact O-CG1 3.3Å; Q146-I150 WeakPolarHBondContact O-CG1 3.43Å; Q146-I150 PolarHBondContact O-N 3Å
147	E	67.3	Low	67.3	Low	111 Å²	111	108 Å²	108	52%	0.519	54%	0.539	S	S	.	.	H	α-helix	trans	-61.9	-40.3	176.7	-74.2	174.1	-175	0	0	111.6	K143 V144 I150 K151	K143-E147 WeakPolarHBondContact O-CG 3.44Å; K143-E147 PolarHBondContact O-N 2.84Å; V144-E147 PolarHBondContact O-N 3.33Å; E147-I150 PolarHBondContact O-N 2.88Å; E147-K151 PolarHBondContact O-N 2.95Å
148	M	57.8	Low	66.8	Low	99 Å²	99	109.4 Å²	109.4	49%	0.488	56%	0.556	S	S	.	*	H	α-helix	trans	-61.7	-45.6	173.6	-73.9	179.3	70.1	0	0	112.1	V144 Q146 I150 K151 E152	V144-M148 HydrophobicContact CG1-CG 4.28Å; V144-M148 HydrophobicContact CG1-SD 4.01Å; V144-M148 WeakPolarHBondContact O-CB 3.39Å; V144-M148 VanDerWaalsContact O-CG 3.24Å; V144-M148 WeakPolarHBondContact O-CG 3.47Å; V144-M148 PolarHBondContact O-N 3.49Å; Q146-M148 VanDerWaalsContact C-N 3.32Å; Q146-M148 PolarHBondContact O-N 2.74Å; M148-I150 VanDerWaalsContact C-N 3.28Å; M148-I150 PolarHBondContact O-N 3.5Å; M148-K151 PolarHBondContact O-N 3.47Å; M148-K151 VanDerWaalsContact O-N 3.09Å; M148-E152 PolarHBondContact O-N 2.87Å
149	K	56	Low	66.1	Low	131 Å²	131	106.3 Å²	106.3	57%	0.57	54%	0.543	S	S	*	.	H	α-helix	trans	-62.6	-33.7	176.1	-78.4	-176.5	176.4	-172.4	0	113.1	V145 Q146	V145-K149 WeakPolarHBondContact O-CG 3.45Å; V145-K149 PolarHBondContact O-N 3.31Å; V145-K149 VanDerWaalsContact O-N 3.08Å; Q146-K149 PolarHBondContact O-N 3.34Å
150	I	59.3	Low	65.2	Low	103 Å²	103	106.3 Å²	106.3	53%	0.528	54%	0.544	S	S	.	.	H	α-helix	trans	-71	-34.9	175.2	-67.9	165	0	0	0	110.6	Q146 E147 M148	Q146-I150 VanDerWaalsContact O-CG1 3.3Å; Q146-I150 WeakPolarHBondContact O-CG1 3.43Å; Q146-I150 PolarHBondContact O-N 3Å; E147-I150 PolarHBondContact O-N 2.88Å; M148-I150 VanDerWaalsContact C-N 3.28Å; M148-I150 PolarHBondContact O-N 3.5Å
151	K	55.4	Low	64.8	Low	106 Å²	106	103.3 Å²	103.3	46%	0.461	53%	0.532	S	S	.	.	H	α-helix	trans	-74.1	-40.5	178.8	-142.7	-173.8	-177.9	-142.9	0	112.4	E147 M148 N153 K154 E296	E147-K151 PolarHBondContact O-N 2.95Å; M148-K151 PolarHBondContact O-N 3.47Å; M148-K151 VanDerWaalsContact O-N 3.09Å; K151-N153 PolarHBondContact O-N 3.35Å; K151-K154 PolarHBondContact O-N 2.98Å; K151-E296 IonicContact NZ-OE1 3.26Å; K151-E296 PolarHBondContact NZ-OE1 2.87Å
152	E	52.9	Low	64.8	Low	151 Å²	151	98.2 Å²	98.2	71%	0.706	51%	0.512	S	S	*	.	H	α-helix	trans	-61.8	-28.1	176.7	-79.1	177.5	167.8	0	0	113.2	M148	M148-E152 PolarHBondContact O-N 2.87Å
153	N	50.5	Low	64.6	Low	141 Å²	141	100.5 Å²	100.5	75%	0.754	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	2.6	-175.6	-81.5	-19.6	0	0	0	115	K151 P155	K151-N153 PolarHBondContact O-N 3.35Å; N153-P155 WeakPolarHBondContact O-CD 3.26Å
154	K	55.9	Low	64.8	Low	154 Å²	154	96.2 Å²	96.2	67%	0.67	51%	0.507	S	S	*	.	S	Bend	trans	-87.5	118.5	173.9	-82.3	-174.3	179.1	-178.3	0	109.8	K151 L156	K151-K154 PolarHBondContact O-N 2.98Å; K154-L156 PolarHBondContact O-N 3.35Å
155	P	63.2	Low	65.7	Low	122 Å²	122	95 Å²	95	79%	0.792	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-60	138.8	172.3	24.2	-30.7	0	0	0	109.5	N153	N153-P155 WeakPolarHBondContact O-CD 3.26Å
156	L	71.8	Confident	66.6	Low	54 Å²	54	93 Å²	93	28%	0.283	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-58.8	141.1	173.9	-69.6	174.1	0	0	0	108.9	K154 K288 I289 V292 T350	K154-L156 PolarHBondContact O-N 3.35Å; L156-K288 HydrophobicContact CD1-CD 4.43Å; L156-K288 HydrophobicContact CD1-CG 4.06Å; L156-I289 HydrophobicContact CD1-CG1 4.42Å; L156-V292 HydrophobicContact CD1-CG2 4.16Å; L156-T350 HydrophobicContact CD2-CG2 4Å
157	P	71.1	Confident	67.6	Low	54 Å²	54	88.5 Å²	88.5	35%	0.351	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-60.1	144.7	179.7	25.5	-32.9	0	0	0	110.1	V159 T350	P157-V159 HydrophobicContact CG-CG2 4.27Å; P157-V159 PolarHBondContact O-N 3.46Å; P157-V159 VanDerWaalsContact O-N 3.09Å; P157-T350 WeakPolarHBondContact CG-O 3.3Å
158	P	64.7	Low	68.4	Low	133 Å²	133	87.7 Å²	87.7	86%	0.864	48%	0.478	S	S	*	.			trans	-67.4	109.9	167.2	27.8	-30.6	0	0	0	107.5
159	V	65.4	Low	69.6	Low	26 Å²	26	84.7 Å²	84.7	16%	0.158	47%	0.472	C	S	.	.	P	Polyproline II helix	trans	-101.1	130.1	174.1	-178.6	0	0	0	0	107.2	P157 I161 Y348 L349	P157-V159 HydrophobicContact CG-CG2 4.27Å; P157-V159 PolarHBondContact O-N 3.46Å; P157-V159 VanDerWaalsContact O-N 3.09Å; V159-I161 PolarHBondContact O-N 2.87Å; V159-I161 VanDerWaalsContact O-N 3.16Å; V159-Y348 HydrophobicContact CG1-CD1 4.13Å; V159-Y348 HydrophobicContact CG1-CE1 3.61Å; V159-Y348 HydrophobicContact CG1-CE2 4.16Å; V159-L349 VanDerWaalsContact CG2-O 3.32Å; V159-L349 WeakPolarHBondContact CG2-O 3.39Å
160	P	64.3	Low	71.1	Confident	93 Å²	93	78.5 Å²	78.5	60%	0.604	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-56.5	123.2	174.8	-19.7	30.5	0	0	0	109	Y348	P160-Y348 PolarHBondContact O-OH 2.99Å
161	I	71.3	Confident	72.6	Confident	73 Å²	73	78.7 Å²	78.7	37%	0.374	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-63.6	132.7	172.2	-58.2	178.1	0	0	0	106.9	V159 L164 Y280	V159-I161 PolarHBondContact O-N 2.87Å; V159-I161 VanDerWaalsContact O-N 3.16Å; I161-L164 HydrophobicContact CG2-CD1 3.8Å; I161-L164 HydrophobicContact CG2-CD2 4.03Å; I161-L164 HydrophobicContact CG2-CG 3.89Å; I161-Y280 HydrophobicContact CG2-CD1 4.38Å
162	P	74.1	Confident	74.4	Confident	19 Å²	19	74.1 Å²	74.1	12%	0.123	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-52.1	155.7	172.9	-25.9	34.6	0	0	0	111.1	L164 Y348 P625 L627	P162-L164 WeakPolarHBondContact O-CG 3.36Å; P162-L164 PolarHBondContact O-N 2.76Å; P162-Y348 HydrophobicContact CG-CE1 4.18Å; P162-P625 HydrophobicContact CB-CB 4.16Å; P162-P625 HydrophobicContact CB-CG 4.44Å; P162-P625 HydrophobicContact CG-CB 4.25Å; P162-P625 HydrophobicContact CG-CG 4.01Å; P162-L627 HydrophobicContact CG-CD2 4.27Å
163	N	73.6	Confident	76.1	Confident	136 Å²	136	76 Å²	76	73%	0.727	44%	0.438	S	S	*	.			trans	-63.8	108.1	175.3	-173.2	28.9	0	0	0	109.5	V165	N163-V165 PolarHBondContact O-N 2.87Å
164	L	83.4	Confident	78.2	Confident	43 Å²	43	73.6 Å²	73.6	23%	0.225	43%	0.425	C	S	.	.			trans	-85.8	114.8	-175.8	-55	177.8	0	0	0	109.5	I161 P162 I167 Y280 W615 P625	I161-L164 HydrophobicContact CG2-CD1 3.8Å; I161-L164 HydrophobicContact CG2-CD2 4.03Å; I161-L164 HydrophobicContact CG2-CG 3.89Å; P162-L164 WeakPolarHBondContact O-CG 3.36Å; P162-L164 PolarHBondContact O-N 2.76Å; L164-I167 HydrophobicContact CB-CG2 3.99Å; L164-Y280 WeakPolarHBondContact CD1-O 3.48Å; L164-W615 HydrophobicContact CB-CZ2 4.26Å; L164-W615 HydrophobicContact CD2-CH2 3.76Å; L164-W615 HydrophobicContact CD2-CZ2 3.99Å; L164-P625 HydrophobicContact CD2-CB 4.31Å
165	V	87.9	Confident	80.1	Confident	47 Å²	47	71.7 Å²	71.7	29%	0.285	42%	0.422	S	S	.	.			trans	-108.2	137.6	-179.1	-179.2	0	0	0	0	109.4	N163 I167 P611 H614 W615	N163-V165 PolarHBondContact O-N 2.87Å; V165-I167 PolarHBondContact O-N 3.02Å; V165-P611 HydrophobicContact CG1-CG 4.09Å; V165-H614 HydrophobicContact CB-CB 4.25Å; V165-W615 PolarHBondContact O-NE1 3.37Å
166	G	88.3	Confident	81.7	Confident	19 Å²	19	69.6 Å²	69.6	20%	0.196	40%	0.404	C	S	.	.	S	Bend	trans	70.6	31.6	170.4	0	0	0	0	0	115.4	S168 D608 L609 L610	G166-S168 VanDerWaalsContact C-N 3.28Å; G166-D608 WeakPolarHBondContact CA-O 3.38Å; G166-L609 WeakPolarHBondContact O-CD1 3.36Å; G166-L610 PolarHBondContact O-N 3.03Å
167	I	86.4	Confident	83	Confident	44 Å²	44	67.9 Å²	67.9	23%	0.226	40%	0.395	C	S	.	.	S	Bend	trans	-79.9	-8.7	176.2	61.5	173.6	0	0	0	113.8	L164 V165 L281 W615	L164-I167 HydrophobicContact CB-CG2 3.99Å; V165-I167 PolarHBondContact O-N 3.02Å; I167-L281 HydrophobicContact CB-CD2 4.16Å; I167-L281 HydrophobicContact CG2-CD2 3.8Å; I167-W615 HydrophobicContact CG2-CH2 4.12Å; I167-W615 HydrophobicContact CG2-CZ2 3.5Å; I167-W615 VanDerWaalsContact CG2-CZ2 3.5Å
168	S	82.6	Confident	84.2	Confident	94 Å²	94	70.5 Å²	70.5	66%	0.657	40%	0.398	S	S	*	.	S	Bend	trans	-147.4	154.6	178.9	62.2	0	0	0	0	109.1	G166	G166-S168 VanDerWaalsContact C-N 3.28Å
169	G	83.8	Confident	85.8	Confident	35 Å²	35	70.9 Å²	70.9	36%	0.361	39%	0.388	S	S	.	.			trans	102.7	-140.5	-177	0	0	0	0	0	112.8	D171 R181	G169-D171 VanDerWaalsContact C-N 3.3Å; G169-R181 PolarHBondContact O-NH2 3.25Å
170	G	87.8	Confident	87.4	Confident	1 Å²	1	71.1 Å²	71.1	1%	0.01	39%	0.387	C	S	.	.			trans	72.3	21.2	-173.7	0	0	0	0	0	114.5	P172 R181 S605 G606 D608	G170-P172 WeakPolarHBondContact O-CD 3.47Å; G170-R181 PolarHBondContact O-NH1 3.25Å; G170-S605 WeakPolarHBondContact O-CA 3.41Å; G170-G606 PolarHBondContact O-N 2.95Å; G170-D608 WeakPolarHBondContact CA-OD1 3.43Å; G170-D608 PolarHBondContact N-OD2 3.2Å
171	D	90.8	Very high	89.1	Confident	107 Å²	107	66.9 Å²	66.9	57%	0.572	36%	0.359	S	S	*	.			trans	-68.1	119.3	178.5	-68.9	-42.6	0	0	0	110.7	G169 R181	G169-D171 VanDerWaalsContact C-N 3.3Å; D171-R181 IonicContact OD1-CZ 3.58Å; D171-R181 IonicContact OD1-NH1 3.6Å; D171-R181 PolarHBondContact OD1-NH1 3.45Å
172	P	91.8	Very high	90.3	Very high	11 Å²	11	67.7 Å²	67.7	7%	0.071	36%	0.361	C	S	.	.			trans	-69	137.7	178.3	28.9	-34.6	0	0	0	110.5	G170 D174 I177 R178	G170-P172 WeakPolarHBondContact O-CD 3.47Å; P172-D174 VanDerWaalsContact C-N 3.32Å; P172-I177 HydrophobicContact CB-CB 3.89Å; P172-I177 HydrophobicContact CB-CG2 3.51Å; P172-I177 HydrophobicContact CG-CB 4.27Å; P172-I177 HydrophobicContact CG-CG2 3.87Å; P172-R178 HydrophobicContact CG-CB 3.92Å; P172-R178 HydrophobicContact CG-CG 4.49Å; P172-R178 PolarHBondContact O-NH2 3.32Å
173	E	89.3	Confident	91.5	Very high	190 Å²	190	69.6 Å²	69.6	89%	0.888	37%	0.368	S	S	*	.	S	Bend	trans	-67.3	-35.8	174.1	-63.5	-172.4	167	0	0	111.6
174	D	95.3	Very high	92.7	Very high	90 Å²	90	63.1 Å²	63.1	48%	0.481	33%	0.333	S	S	.	.	S	Bend	trans	-75.1	130.7	179.9	-175.8	-75	0	0	0	112.1	P172 D176 I177 R178	P172-D174 VanDerWaalsContact C-N 3.32Å; D174-D176 WeakPolarHBondContact OD1-CA 3.36Å; D174-D176 WeakPolarHBondContact OD1-CB 3.42Å; D174-D176 PolarHBondContact OD1-N 2.89Å; D174-I177 HydrophobicContact CB-CB 4.2Å; D174-I177 HydrophobicContact CB-CG1 3.92Å; D174-I177 PolarHBondContact O-N 2.89Å; D174-I177 PolarHBondContact OD1-N 2.93Å; D174-R178 WeakPolarHBondContact O-CB 3.33Å; D174-R178 PolarHBondContact O-N 3.37Å
175	N	96.1	Very high	93.5	Very high	115 Å²	115	63.4 Å²	63.4	62%	0.615	33%	0.332	S	S	*	.	H	α-helix	trans	-67.7	-37	-177.5	-75.3	-24.5	0	0	0	113.5	R178 E179	N175-R178 WeakPolarHBondContact O-CB 3.41Å; N175-R178 PolarHBondContact O-N 3.25Å; N175-E179 WeakPolarHBondContact O-CG 3.47Å; N175-E179 PolarHBondContact O-N 2.95Å
176	D	97.1	Very high	94	Very high	78 Å²	78	64.5 Å²	64.5	42%	0.417	33%	0.334	S	S	.	.	H	α-helix	trans	-66.5	-41.3	177.2	166.5	79.8	0	0	0	110.3	D174 R178 E179 K180	D174-D176 WeakPolarHBondContact OD1-CA 3.36Å; D174-D176 WeakPolarHBondContact OD1-CB 3.42Å; D174-D176 PolarHBondContact OD1-N 2.89Å; D176-R178 VanDerWaalsContact C-N 3.32Å; D176-R178 PolarHBondContact O-N 3.4Å; D176-E179 PolarHBondContact O-N 2.87Å; D176-K180 VanDerWaalsContact O-CG 3.31Å; D176-K180 WeakPolarHBondContact O-CG 3.38Å; D176-K180 PolarHBondContact O-N 3.5Å; D176-K180 WeakPolarHBondContact OD1-CE 3.3Å; D176-K180 IonicContact OD1-NZ 3.21Å; D176-K180 PolarHBondContact OD1-NZ 3.44Å; D176-K180 VanDerWaalsContact OD2-CE 3.3Å; D176-K180 WeakPolarHBondContact OD2-CE 3.27Å; D176-K180 IonicContact OD2-NZ 3.29Å; D176-K180 PolarHBondContact OD2-NZ 3.21Å
177	I	97.8	Very high	94.5	Very high	18 Å²	18	63.6 Å²	63.6	9%	0.092	33%	0.325	C	S	.	.	H	α-helix	trans	-64.6	-38.7	174.6	-56.8	-57.2	0	0	0	111.2	P172 D174 K180 R181 F604	P172-I177 HydrophobicContact CB-CB 3.89Å; P172-I177 HydrophobicContact CB-CG2 3.51Å; P172-I177 HydrophobicContact CG-CB 4.27Å; P172-I177 HydrophobicContact CG-CG2 3.87Å; D174-I177 HydrophobicContact CB-CB 4.2Å; D174-I177 HydrophobicContact CB-CG1 3.92Å; D174-I177 PolarHBondContact O-N 2.89Å; D174-I177 PolarHBondContact OD1-N 2.93Å; I177-K180 PolarHBondContact O-N 3.31Å; I177-R181 WeakPolarHBondContact O-CB 3.35Å; I177-R181 PolarHBondContact O-N 3.34Å; I177-F604 HydrophobicContact CD1-CD1 4.38Å; I177-F604 HydrophobicContact CG2-CB 4.06Å; I177-F604 HydrophobicContact CG2-CD1 4.35Å; I177-F604 WeakPolarHBondContact CG2-O 3.49Å
178	R	97.5	Very high	95.1	Very high	109 Å²	109	61.5 Å²	61.5	41%	0.411	31%	0.314	S	S	.	.	H	α-helix	trans	-61	-47.2	174.7	-169.5	-178.2	-60.6	-126.4	-6	112	P172 D174 N175 D176 K180 R181 E182	P172-R178 HydrophobicContact CG-CB 3.92Å; P172-R178 HydrophobicContact CG-CG 4.49Å; P172-R178 PolarHBondContact O-NH2 3.32Å; D174-R178 WeakPolarHBondContact O-CB 3.33Å; D174-R178 PolarHBondContact O-N 3.37Å; N175-R178 WeakPolarHBondContact O-CB 3.41Å; N175-R178 PolarHBondContact O-N 3.25Å; D176-R178 VanDerWaalsContact C-N 3.32Å; D176-R178 PolarHBondContact O-N 3.4Å; R178-K180 VanDerWaalsContact C-N 3.32Å; R178-K180 PolarHBondContact O-N 2.99Å; R178-R181 PolarHBondContact O-N 2.84Å; R178-E182 WeakPolarHBondContact O-CG 3.22Å; R178-E182 PolarHBondContact O-N 3.37Å
179	E	98.3	Very high	95.9	Very high	140 Å²	140	60.7 Å²	60.7	65%	0.654	30%	0.299	S	S	*	.	H	α-helix	trans	-61.4	-40.9	177.4	-74.4	179.1	-170.6	0	0	111.9	N175 D176 E182 K183	N175-E179 WeakPolarHBondContact O-CG 3.47Å; N175-E179 PolarHBondContact O-N 2.95Å; D176-E179 PolarHBondContact O-N 2.87Å; E179-E182 PolarHBondContact O-N 3.43Å; E179-K183 PolarHBondContact O-N 3.05Å
180	K	98.7	Very high	96.6	Very high	32 Å²	32	60.4 Å²	60.4	14%	0.139	29%	0.288	C	S	.	.	H	α-helix	trans	-61.9	-47.6	174.5	-70.9	172.3	178.1	160.6	0	111.7	D176 I177 R178 E182 K183 I184 W555 F604	D176-K180 VanDerWaalsContact O-CG 3.31Å; D176-K180 WeakPolarHBondContact O-CG 3.38Å; D176-K180 PolarHBondContact O-N 3.5Å; D176-K180 WeakPolarHBondContact OD1-CE 3.3Å; D176-K180 IonicContact OD1-NZ 3.21Å; D176-K180 PolarHBondContact OD1-NZ 3.44Å; D176-K180 VanDerWaalsContact OD2-CE 3.3Å; D176-K180 WeakPolarHBondContact OD2-CE 3.27Å; D176-K180 IonicContact OD2-NZ 3.29Å; D176-K180 PolarHBondContact OD2-NZ 3.21Å; I177-K180 PolarHBondContact O-N 3.31Å; R178-K180 VanDerWaalsContact C-N 3.32Å; R178-K180 PolarHBondContact O-N 2.99Å; K180-E182 PolarHBondContact O-N 2.64Å; K180-K183 WeakPolarHBondContact O-CB 3.34Å; K180-K183 PolarHBondContact O-N 2.83Å; K180-I184 WeakPolarHBondContact O-CG1 3.31Å; K180-I184 PolarHBondContact O-N 3.05Å; K180-I184 VanDerWaalsContact O-N 3.1Å; K180-W555 HydrophobicContact CB-CD2 4.5Å; K180-W555 HydrophobicContact CB-CE3 3.91Å; K180-W555 HydrophobicContact CB-CH2 4.16Å; K180-W555 HydrophobicContact CB-CZ3 3.73Å; K180-W555 HydrophobicContact CD-CD2 3.88Å; K180-W555 HydrophobicContact CD-CE3 4.09Å; K180-W555 HydrophobicContact CD-CG 4.13Å; K180-W555 HydrophobicContact CG-CD2 3.77Å; K180-W555 HydrophobicContact CG-CE3 3.67Å; K180-W555 HydrophobicContact CG-CH2 3.78Å; K180-W555 HydrophobicContact CG-CZ2 3.87Å; K180-W555 HydrophobicContact CG-CZ3 3.68Å; K180-F604 HydrophobicContact CB-CD1 4Å; K180-F604 HydrophobicContact CB-CD2 4.28Å; K180-F604 HydrophobicContact CB-CE1 4.27Å; K180-F604 HydrophobicContact CB-CG 4.03Å; K180-F604 HydrophobicContact CD-CD1 4.13Å; K180-F604 HydrophobicContact CD-CE1 3.83Å; K180-F604 HydrophobicContact CD-CZ 4.4Å
181	R	98.4	Very high	97.1	Very high	4 Å²	4	60.4 Å²	60.4	2%	0.015	29%	0.288	C	S	.	.	H	α-helix	trans	-59.9	-44.1	177.3	-172	-177.7	-178.3	-147.5	8.3	111.9	G169 G170 D171 I177 R178 K183 I184 K185 Y601 F604 S605	G169-R181 PolarHBondContact O-NH2 3.25Å; G170-R181 PolarHBondContact O-NH1 3.25Å; D171-R181 IonicContact OD1-CZ 3.58Å; D171-R181 IonicContact OD1-NH1 3.6Å; D171-R181 PolarHBondContact OD1-NH1 3.45Å; I177-R181 WeakPolarHBondContact O-CB 3.35Å; I177-R181 PolarHBondContact O-N 3.34Å; R178-R181 PolarHBondContact O-N 2.84Å; R181-K183 VanDerWaalsContact C-N 3.33Å; R181-K183 PolarHBondContact O-N 2.99Å; R181-I184 PolarHBondContact O-N 3.43Å; R181-K185 PolarHBondContact O-N 3.38Å; R181-Y601 HydrophobicContact CG-CD2 3.59Å; R181-Y601 HydrophobicContact CG-CE2 3.38Å; R181-Y601 HydrophobicContact CG-CG 4.33Å; R181-Y601 PolarHBondContact NE-OH 2.96Å; R181-Y601 PolarHBondContact NH2-OH 3.05Å; R181-Y601 VanDerWaalsContact NH2-OH 3.08Å; R181-F604 HydrophobicContact CB-CB 3.89Å; R181-F604 WeakPolarHBondContact CD-O 3.1Å; R181-F604 HydrophobicContact CG-CB 4.49Å; R181-S605 PolarHBondContact NE-OG 3.28Å
182	E	98.4	Very high	97.5	Very high	90 Å²	90	55.3 Å²	55.3	42%	0.421	26%	0.261	S	S	.	.	H	α-helix	trans	-65.3	-34.9	175.7	-73.3	-55.5	129.6	0	0	112.4	R178 E179 K180 I184 K185 E186	R178-E182 WeakPolarHBondContact O-CG 3.22Å; R178-E182 PolarHBondContact O-N 3.37Å; E179-E182 PolarHBondContact O-N 3.43Å; K180-E182 PolarHBondContact O-N 2.64Å; E182-I184 VanDerWaalsContact C-N 3.33Å; E182-I184 PolarHBondContact O-N 3.26Å; E182-K185 PolarHBondContact O-N 3.39Å; E182-E186 PolarHBondContact O-N 2.88Å
183	K	98.8	Very high	97.8	Very high	59 Å²	59	57.3 Å²	57.3	26%	0.257	27%	0.271	S	S	.	.	H	α-helix	trans	-61.9	-40.6	172.1	179.4	58.1	-178.2	172.6	0	111.9	E179 K180 R181 E186 M187 W555 E562	E179-K183 PolarHBondContact O-N 3.05Å; K180-K183 WeakPolarHBondContact O-CB 3.34Å; K180-K183 PolarHBondContact O-N 2.83Å; R181-K183 VanDerWaalsContact C-N 3.33Å; R181-K183 PolarHBondContact O-N 2.99Å; K183-E186 IonicContact NZ-OE2 2.71Å; K183-E186 PolarHBondContact NZ-OE2 3.02Å; K183-E186 WeakPolarHBondContact O-CB 3.46Å; K183-E186 PolarHBondContact O-N 2.86Å; K183-M187 WeakPolarHBondContact O-CG 3.44Å; K183-M187 PolarHBondContact O-N 2.99Å; K183-W555 HydrophobicContact CB-CH2 3.92Å; K183-W555 HydrophobicContact CB-CZ3 4.26Å; K183-W555 HydrophobicContact CG-CH2 3.86Å; K183-W555 HydrophobicContact CG-CZ3 4.28Å; K183-E562 VanDerWaalsContact NZ-CD 3.3Å; K183-E562 IonicContact NZ-OE1 2.57Å; K183-E562 PolarHBondContact NZ-OE1 3.27Å; K183-E562 IonicContact NZ-OE2 3.35Å
184	I	98.9	Very high	98.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.6	-41.3	175.8	-54.9	-48.9	0	0	0	111.2	K180 R181 E182 E186 M187 M188 M237 W555 A558 L597 L600 F604	K180-I184 WeakPolarHBondContact O-CG1 3.31Å; K180-I184 PolarHBondContact O-N 3.05Å; K180-I184 VanDerWaalsContact O-N 3.1Å; R181-I184 PolarHBondContact O-N 3.43Å; E182-I184 VanDerWaalsContact C-N 3.33Å; E182-I184 PolarHBondContact O-N 3.26Å; I184-E186 VanDerWaalsContact C-N 3.31Å; I184-E186 PolarHBondContact O-N 3.09Å; I184-M187 HydrophobicContact CD1-SD 3.89Å; I184-M187 WeakPolarHBondContact O-CB 3.25Å; I184-M187 PolarHBondContact O-N 3.47Å; I184-M188 PolarHBondContact O-N 3.3Å; I184-M237 HydrophobicContact CG2-CE 4.27Å; I184-W555 HydrophobicContact CD1-CZ3 4.37Å; I184-A558 HydrophobicContact CD1-CB 3.8Å; I184-L597 HydrophobicContact CG2-CB 4.44Å; I184-L597 HydrophobicContact CG2-CD2 4.1Å; I184-L597 WeakPolarHBondContact CG2-O 3.16Å; I184-L600 HydrophobicContact CD1-CB 3.99Å; I184-L600 HydrophobicContact CD1-CD1 4.04Å; I184-L600 HydrophobicContact CD1-CG 4.45Å; I184-L600 HydrophobicContact CG1-CB 3.98Å; I184-L600 HydrophobicContact CG2-CB 3.79Å; I184-F604 HydrophobicContact CG1-CD2 4.19Å
185	K	98.8	Very high	98.4	Very high	48 Å²	48	44.9 Å²	44.9	21%	0.209	21%	0.21	C	C	.	.	H	α-helix	trans	-61.7	-38.6	174	-179.5	173.4	173.9	170	0	112.2	R181 E182 M188 K189 M237 L239 Y601	R181-K185 PolarHBondContact O-N 3.38Å; E182-K185 PolarHBondContact O-N 3.39Å; K185-M188 WeakPolarHBondContact O-CB 3.33Å; K185-M188 PolarHBondContact O-N 3.13Å; K185-K189 PolarHBondContact O-N 3.33Å; K185-M237 HydrophobicContact CD-CB 4.49Å; K185-M237 WeakPolarHBondContact CD-O 3.37Å; K185-M237 WeakPolarHBondContact CE-O 3.49Å; K185-M237 HydrophobicContact CG-CB 4.39Å; K185-M237 PolarHBondContact NZ-O 3.43Å; K185-L239 HydrophobicContact CG-CD1 4.48Å; K185-L239 HydrophobicContact CG-CD2 4.43Å; K185-Y601 HydrophobicContact CB-CE2 4.23Å
186	E	98.8	Very high	98.5	Very high	70 Å²	70	44.2 Å²	44.2	33%	0.327	20%	0.199	S	C	.	.	H	α-helix	trans	-63.3	-42.3	172.9	-174.5	-81.2	139.2	0	0	111.9	E182 K183 I184 M188 K189 H190 R566	E182-E186 PolarHBondContact O-N 2.88Å; K183-E186 IonicContact NZ-OE2 2.71Å; K183-E186 PolarHBondContact NZ-OE2 3.02Å; K183-E186 WeakPolarHBondContact O-CB 3.46Å; K183-E186 PolarHBondContact O-N 2.86Å; I184-E186 VanDerWaalsContact C-N 3.31Å; I184-E186 PolarHBondContact O-N 3.09Å; E186-M188 VanDerWaalsContact C-N 3.34Å; E186-M188 PolarHBondContact O-N 2.88Å; E186-K189 PolarHBondContact O-N 2.92Å; E186-H190 PolarHBondContact O-N 2.99Å; E186-R566 IonicContact OE1-CZ 3.8Å; E186-R566 IonicContact OE1-NH1 3.91Å; E186-R566 PolarHBondContact OE1-NH1 3.26Å; E186-R566 IonicContact OE1-NH2 3.52Å; E186-R566 PolarHBondContact OE1-NH2 3.29Å; E186-R566 IonicContact OE2-CZ 3.38Å; E186-R566 IonicContact OE2-NH1 3.24Å; E186-R566 PolarHBondContact OE2-NH1 3.36Å; E186-R566 IonicContact OE2-NH2 3.16Å
187	M	98.9	Very high	98.6	Very high	1 Å²	1	45 Å²	45	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-60.9	-42.5	174.3	-66.9	167	71.6	0	0	111.8	K183 I184 K189 H190 A191 I561 F571 L597	K183-M187 WeakPolarHBondContact O-CG 3.44Å; K183-M187 PolarHBondContact O-N 2.99Å; I184-M187 HydrophobicContact CD1-SD 3.89Å; I184-M187 WeakPolarHBondContact O-CB 3.25Å; I184-M187 PolarHBondContact O-N 3.47Å; M187-K189 VanDerWaalsContact C-N 3.35Å; M187-H190 PolarHBondContact O-N 2.92Å; M187-A191 WeakPolarHBondContact O-CB 3.48Å; M187-A191 PolarHBondContact O-N 2.89Å; M187-I561 HydrophobicContact CE-CB 4.28Å; M187-I561 HydrophobicContact CE-CG2 3.8Å; M187-F571 HydrophobicContact CB-CE2 4.32Å; M187-F571 HydrophobicContact CB-CZ 4.02Å; M187-F571 HydrophobicContact CE-CE1 4.08Å; M187-F571 HydrophobicContact CE-CZ 4.09Å; M187-F571 HydrophobicContact CG-CZ 4.09Å; M187-L597 HydrophobicContact CB-CD2 3.91Å; M187-L597 HydrophobicContact CE-CD2 4.1Å
188	M	98.9	Very high	98.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59.3	-46.4	173.5	-179.4	63.7	175.9	0	0	111.4	I184 K185 E186 H190 A191 W192 A230 T233 L234 M237 L239 L593 L597	I184-M188 PolarHBondContact O-N 3.3Å; K185-M188 WeakPolarHBondContact O-CB 3.33Å; K185-M188 PolarHBondContact O-N 3.13Å; E186-M188 VanDerWaalsContact C-N 3.34Å; E186-M188 PolarHBondContact O-N 2.88Å; M188-H190 PolarHBondContact O-N 3.31Å; M188-A191 PolarHBondContact O-N 2.9Å; M188-W192 WeakPolarHBondContact O-CB 3.28Å; M188-W192 PolarHBondContact O-N 3.21Å; M188-A230 HydrophobicContact CE-CB 3.86Å; M188-T233 HydrophobicContact CE-CG2 3.79Å; M188-T233 HydrophobicContact CG-CG2 4.39Å; M188-T233 HydrophobicContact SD-CG2 3.97Å; M188-L234 HydrophobicContact CE-CD2 3.52Å; M188-L234 HydrophobicContact CE-CG 3.71Å; M188-L234 HydrophobicContact CG-CD2 4.4Å; M188-M237 HydrophobicContact CB-CE 4.07Å; M188-M237 HydrophobicContact CB-SD 3.53Å; M188-M237 VanDerWaalsContact CB-SD 3.53Å; M188-M237 HydrophobicContact CG-CE 4.31Å; M188-M237 HydrophobicContact CG-SD 3.56Å; M188-M237 VanDerWaalsContact CG-SD 3.56Å; M188-L239 HydrophobicContact CG-CD1 3.97Å; M188-L593 HydrophobicContact CE-CB 4.03Å; M188-L593 HydrophobicContact CE-CD2 3.96Å; M188-L593 HydrophobicContact CE-CG 4.34Å; M188-L593 HydrophobicContact SD-CB 3.95Å; M188-L593 HydrophobicContact SD-CD2 3.99Å; M188-L593 HydrophobicContact SD-CG 3.97Å; M188-L597 HydrophobicContact CB-CD1 3.97Å; M188-L597 HydrophobicContact SD-CD1 3.83Å
189	K	98.8	Very high	98.6	Very high	76 Å²	76	42.6 Å²	42.6	33%	0.33	20%	0.197	S	C	.	.	H	α-helix	trans	-61.1	-43.6	177.7	-175.2	157.6	-174.7	55.5	0	112	K185 E186 M187 A191 W192 D193 E242	K185-K189 PolarHBondContact O-N 3.33Å; E186-K189 PolarHBondContact O-N 2.92Å; M187-K189 VanDerWaalsContact C-N 3.35Å; K189-A191 PolarHBondContact O-N 2.93Å; K189-W192 PolarHBondContact O-N 3.3Å; K189-D193 VanDerWaalsContact CE-OD2 3.26Å; K189-D193 WeakPolarHBondContact CE-OD2 3.49Å; K189-D193 VanDerWaalsContact CG-OD2 3.24Å; K189-D193 WeakPolarHBondContact CG-OD2 3.37Å; K189-D193 IonicContact NZ-OD1 2.74Å; K189-D193 PolarHBondContact NZ-OD1 2.94Å; K189-D193 IonicContact NZ-OD2 3.05Å; K189-D193 PolarHBondContact NZ-OD2 3.44Å; K189-D193 VanDerWaalsContact O-CB 3.25Å; K189-D193 WeakPolarHBondContact O-CB 3.14Å; K189-D193 PolarHBondContact O-N 3.49Å; K189-E242 IonicContact NZ-OE1 2.91Å; K189-E242 PolarHBondContact NZ-OE1 2.85Å
190	H	98.9	Very high	98.6	Very high	30 Å²	30	39.9 Å²	39.9	14%	0.139	18%	0.181	C	C	.	.	H	α-helix	trans	-60.5	-44.4	174.4	-179.7	83.1	0	0	0	112.2	E186 M187 M188 N194 R566 V567 G570 F571	E186-H190 PolarHBondContact O-N 2.99Å; M187-H190 PolarHBondContact O-N 2.92Å; M188-H190 PolarHBondContact O-N 3.31Å; H190-N194 PolarHBondContact CE1-ND2 2.97Å; H190-N194 WeakPolarHBondContact O-CB 3.17Å; H190-N194 PolarHBondContact O-N 2.89Å; H190-N194 PolarHBondContact O-ND2 3.28Å; H190-R566 PolarHBondContact ND1-NH2 3.45Å; H190-V567 PolarHBondContact CE1-O 3.37Å; H190-V567 PolarHBondContact NE2-O 2.98Å; H190-G570 PolarHBondContact NE2-O 3.31Å; H190-F571 HydrophobicContact CB-CE2 4.39Å; H190-F571 AromaticContact CD2-CD2 3.95Å; H190-F571 AromaticContact CD2-CE2 3.54Å
191	A	98.9	Very high	98.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-64.1	-44.8	178.4	0	0	0	0	0	112.1	M187 M188 K189 Y195 F571 Q588 F592 L593 L597	M187-A191 WeakPolarHBondContact O-CB 3.48Å; M187-A191 PolarHBondContact O-N 2.89Å; M188-A191 PolarHBondContact O-N 2.9Å; K189-A191 PolarHBondContact O-N 2.93Å; A191-Y195 WeakPolarHBondContact O-CB 3.34Å; A191-Y195 PolarHBondContact O-N 3.06Å; A191-Y195 VanDerWaalsContact O-N 3.08Å; A191-F571 HydrophobicContact CB-CD2 4Å; A191-F571 HydrophobicContact CB-CE2 4.32Å; A191-Q588 PolarHBondContact O-NE2 2.87Å; A191-Q588 VanDerWaalsContact O-NE2 3.13Å; A191-F592 HydrophobicContact CB-CD1 4.47Å; A191-F592 HydrophobicContact CB-CE1 4.27Å; A191-L593 HydrophobicContact CB-CD1 4.36Å; A191-L593 HydrophobicContact CB-CD2 4.25Å; A191-L593 HydrophobicContact CB-CG 4.18Å; A191-L597 HydrophobicContact CB-CD1 4.5Å
192	W	98.8	Very high	98.4	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-70.4	-49	-179	178.4	-99.9	0	0	0	112.9	M188 K189 N194 Y195 R196 W200 I227 A230 L234 E242 L593	M188-W192 WeakPolarHBondContact O-CB 3.28Å; M188-W192 PolarHBondContact O-N 3.21Å; K189-W192 PolarHBondContact O-N 3.3Å; W192-N194 PolarHBondContact O-N 2.61Å; W192-Y195 HydrophobicContact CE3-CD1 4.24Å; W192-Y195 HydrophobicContact CZ3-CD1 4.22Å; W192-Y195 HydrophobicContact CZ3-CE1 4.44Å; W192-Y195 CarbonylContact O-C 3.49Å; W192-Y195 WeakPolarHBondContact O-CB 3.32Å; W192-Y195 PolarHBondContact O-N 3.11Å; W192-Y195 VanDerWaalsContact O-N 3.08Å; W192-R196 WeakPolarHBondContact O-CB 3.22Å; W192-R196 PolarHBondContact O-N 3.04Å; W192-W200 HydrophobicContact CH2-CH2 4.22Å; W192-W200 AromaticContact CH2-CZ3 3.77Å; W192-W200 HydrophobicContact CH2-CZ3 3.77Å; W192-W200 AromaticContact CZ2-CH2 3.94Å; W192-W200 HydrophobicContact CZ2-CH2 3.94Å; W192-W200 AromaticContact CZ2-CZ3 3.6Å; W192-W200 HydrophobicContact CZ2-CZ3 3.6Å; W192-I227 HydrophobicContact CH2-CG1 4.3Å; W192-I227 HydrophobicContact CH2-CG2 4.47Å; W192-A230 HydrophobicContact CE3-CB 3.98Å; W192-A230 HydrophobicContact CZ3-CB 3.73Å; W192-L234 HydrophobicContact CD2-CD1 4.01Å; W192-L234 HydrophobicContact CD2-CD2 4.24Å; W192-L234 HydrophobicContact CE3-CD1 3.96Å; W192-L234 HydrophobicContact CG-CD2 4.22Å; W192-L234 HydrophobicContact CH2-CD1 3.76Å; W192-L234 HydrophobicContact CZ2-CD1 3.81Å; W192-L234 HydrophobicContact CZ3-CD1 3.85Å; W192-E242 VanDerWaalsContact CD1-CG 3.44Å; W192-E242 HydrophobicContact CG-CG 4.44Å; W192-L593 HydrophobicContact CE3-CD2 4.21Å
193	D	98.8	Very high	98.3	Very high	53 Å²	53	36.7 Å²	36.7	28%	0.283	17%	0.168	S	C	.	.	H	α-helix	trans	-61.5	-36.8	-177.2	-71.8	-11.7	0	0	0	110.9	K189 T197	K189-D193 VanDerWaalsContact CE-OD2 3.26Å; K189-D193 WeakPolarHBondContact CE-OD2 3.49Å; K189-D193 VanDerWaalsContact CG-OD2 3.24Å; K189-D193 WeakPolarHBondContact CG-OD2 3.37Å; K189-D193 IonicContact NZ-OD1 2.74Å; K189-D193 PolarHBondContact NZ-OD1 2.94Å; K189-D193 IonicContact NZ-OD2 3.05Å; K189-D193 PolarHBondContact NZ-OD2 3.44Å; K189-D193 VanDerWaalsContact O-CB 3.25Å; K189-D193 WeakPolarHBondContact O-CB 3.14Å; K189-D193 PolarHBondContact O-N 3.49Å; D193-T197 WeakPolarHBondContact O-CB 3.29Å; D193-T197 PolarHBondContact O-N 3.35Å; D193-T197 PolarHBondContact O-OG1 3.44Å
194	N	98.8	Very high	98.2	Very high	19 Å²	19	33.9 Å²	33.9	10%	0.102	16%	0.156	C	C	.	.	H	α-helix	trans	-72.4	-38.8	174.3	-78.6	-73.8	0	0	0	112.9	H190 W192 T197 Y198 L205 S568 G569	H190-N194 PolarHBondContact CE1-ND2 2.97Å; H190-N194 WeakPolarHBondContact O-CB 3.17Å; H190-N194 PolarHBondContact O-N 2.89Å; H190-N194 PolarHBondContact O-ND2 3.28Å; W192-N194 PolarHBondContact O-N 2.61Å; N194-T197 PolarHBondContact O-N 3.04Å; N194-Y198 HydrophobicContact CB-CD2 4.36Å; N194-Y198 WeakPolarHBondContact O-CB 3.17Å; N194-Y198 WeakPolarHBondContact O-CD2 3.48Å; N194-Y198 PolarHBondContact O-N 2.99Å; N194-Y198 WeakPolarHBondContact OD1-CE2 3.17Å; N194-L205 HydrophobicContact CB-CD2 4.21Å; N194-S568 PolarHBondContact OD1-O 3.41Å; N194-G569 VanDerWaalsContact CB-C 3.49Å; N194-G569 VanDerWaalsContact CB-O 3.29Å; N194-G569 WeakPolarHBondContact CB-O 3.37Å; N194-G569 VanDerWaalsContact OD1-CA 3.31Å; N194-G569 WeakPolarHBondContact OD1-CA 3.17Å
195	Y	98.8	Very high	98.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-59.3	-47.8	170.6	169.1	-95.7	0	0	0	110.9	A191 W192 T197 Y198 G199 W200 G201 H202 L205 T226 I227	A191-Y195 WeakPolarHBondContact O-CB 3.34Å; A191-Y195 PolarHBondContact O-N 3.06Å; A191-Y195 VanDerWaalsContact O-N 3.08Å; W192-Y195 HydrophobicContact CE3-CD1 4.24Å; W192-Y195 HydrophobicContact CZ3-CD1 4.22Å; W192-Y195 HydrophobicContact CZ3-CE1 4.44Å; W192-Y195 CarbonylContact O-C 3.49Å; W192-Y195 WeakPolarHBondContact O-CB 3.32Å; W192-Y195 PolarHBondContact O-N 3.11Å; W192-Y195 VanDerWaalsContact O-N 3.08Å; Y195-T197 VanDerWaalsContact C-N 3.25Å; Y195-T197 PolarHBondContact O-N 2.81Å; Y195-Y198 PolarHBondContact O-N 3.45Å; Y195-G199 WeakPolarHBondContact CE2-O 3.48Å; Y195-G199 VanDerWaalsContact CZ-O 3.3Å; Y195-G199 CarbonylContact O-C 3.59Å; Y195-G199 VanDerWaalsContact O-C 3.25Å; Y195-G199 VanDerWaalsContact O-CA 3.24Å; Y195-G199 WeakPolarHBondContact O-CA 3.36Å; Y195-G199 PolarHBondContact O-N 2.92Å; Y195-G199 PolarHBondContact OH-O 3.29Å; Y195-W200 HydrophobicContact CD1-CE3 4.15Å; Y195-W200 HydrophobicContact CD1-CZ3 4.44Å; Y195-W200 AromaticContact CE1-CE3 3.66Å; Y195-W200 HydrophobicContact CE1-CE3 3.66Å; Y195-W200 HydrophobicContact CE1-CZ3 4.02Å; Y195-W200 PolarHBondContact O-N 2.77Å; Y195-G201 PolarHBondContact OH-N 3.46Å; Y195-H202 WeakPolarHBondContact CE2-O 3.15Å; Y195-H202 PolarHBondContact OH-O 3.15Å; Y195-L205 HydrophobicContact CD2-CB 4.16Å; Y195-T226 HydrophobicContact CD1-CG2 3.94Å; Y195-T226 HydrophobicContact CD2-CG2 3.61Å; Y195-T226 HydrophobicContact CE1-CG2 4.16Å; Y195-T226 HydrophobicContact CE2-CG2 3.84Å; Y195-T226 HydrophobicContact CG-CG2 3.68Å; Y195-I227 HydrophobicContact CE1-CD1 4.17Å; Y195-I227 HydrophobicContact CE1-CG1 3.5Å; Y195-I227 VanDerWaalsContact CE1-CG1 3.5Å; Y195-I227 WeakPolarHBondContact OH-CG1 3.42Å
196	R	98.3	Very high	98.2	Very high	102 Å²	102	34.7 Å²	34.7	39%	0.385	16%	0.158	S	C	.	.	H	α-helix	trans	-59.2	-36.3	176.3	-173.6	178	-174.5	170.9	8.6	112.5	W192 W200 D245	W192-R196 WeakPolarHBondContact O-CB 3.22Å; W192-R196 PolarHBondContact O-N 3.04Å; R196-W200 HydrophobicContact CB-CE3 4.14Å; R196-W200 HydrophobicContact CB-CZ3 4.45Å; R196-W200 HydrophobicContact CG-CD2 4.37Å; R196-W200 HydrophobicContact CG-CE3 3.95Å; R196-W200 HydrophobicContact CG-CZ3 4.25Å; R196-W200 WeakPolarHBondContact O-CB 3.33Å; R196-D245 VanDerWaalsContact CZ-CG 3.44Å; R196-D245 IonicContact CZ-OD1 2.64Å; R196-D245 IonicContact CZ-OD2 3.93Å; R196-D245 IonicContact NH1-OD1 2.61Å; R196-D245 IonicContact NH1-OD2 2.87Å; R196-D245 PolarHBondContact NH1-OD2 2.59Å; R196-D245 IonicContact NH2-OD1 3.75Å; R196-D245 PolarHBondContact NH2-OD1 3.3Å; R196-D245 IonicContact NH2-OD2 2.79Å; R196-D245 PolarHBondContact NH2-OD2 2.93Å
197	T	98.4	Very high	98.2	Very high	95 Å²	95	31.4 Å²	31.4	58%	0.583	14%	0.142	S	C	*	.	H	α-helix	trans	-75.9	-41.6	-179.5	-57.1	0	0	0	0	112.6	D193 N194 Y195	D193-T197 WeakPolarHBondContact O-CB 3.29Å; D193-T197 PolarHBondContact O-N 3.35Å; D193-T197 PolarHBondContact O-OG1 3.44Å; N194-T197 PolarHBondContact O-N 3.04Å; Y195-T197 VanDerWaalsContact C-N 3.25Å; Y195-T197 PolarHBondContact O-N 2.81Å
198	Y	98.4	Very high	98.1	Very high	75 Å²	75	35.5 Å²	35.5	29%	0.294	16%	0.163	S	C	.	.	H	α-helix	trans	-117.1	-14.3	-165.6	-58.8	-55	0	0	0	115.1	N194 Y195 R210 K211 G212	N194-Y198 HydrophobicContact CB-CD2 4.36Å; N194-Y198 WeakPolarHBondContact O-CB 3.17Å; N194-Y198 WeakPolarHBondContact O-CD2 3.48Å; N194-Y198 PolarHBondContact O-N 2.99Å; N194-Y198 WeakPolarHBondContact OD1-CE2 3.17Å; Y195-Y198 PolarHBondContact O-N 3.45Å; Y198-R210 HydrophobicContact CD1-CB 3.79Å; Y198-R210 HydrophobicContact CD1-CG 4.44Å; Y198-R210 HydrophobicContact CD2-CB 4.14Å; Y198-R210 HydrophobicContact CD2-CG 4.14Å; Y198-R210 HydrophobicContact CE1-CB 4.09Å; Y198-R210 HydrophobicContact CE1-CG 4.39Å; Y198-R210 HydrophobicContact CE2-CB 4.4Å; Y198-R210 HydrophobicContact CE2-CG 4.05Å; Y198-R210 HydrophobicContact CG-CB 3.83Å; Y198-R210 HydrophobicContact CG-CG 4.34Å; Y198-K211 CarbonylContact O-C 3.57Å; Y198-K211 VanDerWaalsContact O-C 3.31Å; Y198-K211 WeakPolarHBondContact O-CA 3.32Å; Y198-G212 PolarHBondContact O-N 3.27Å; Y198-G212 VanDerWaalsContact O-N 3.16Å
199	G	97.1	Very high	98.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.3	11	-171.7	0	0	0	0	0	114.9	Y195 G201 H202	Y195-G199 WeakPolarHBondContact CE2-O 3.48Å; Y195-G199 VanDerWaalsContact CZ-O 3.3Å; Y195-G199 CarbonylContact O-C 3.59Å; Y195-G199 VanDerWaalsContact O-C 3.25Å; Y195-G199 VanDerWaalsContact O-CA 3.24Å; Y195-G199 WeakPolarHBondContact O-CA 3.36Å; Y195-G199 PolarHBondContact O-N 2.92Å; Y195-G199 PolarHBondContact OH-O 3.29Å; G199-G201 PolarHBondContact O-N 3.47Å; G199-H202 WeakPolarHBondContact O-CA 3.37Å; G199-H202 VanDerWaalsContact O-CB 3.27Å; G199-H202 WeakPolarHBondContact O-CB 3.37Å; G199-H202 PolarHBondContact O-N 2.91Å
200	W	97.9	Very high	98.1	Very high	84 Å²	84	39.8 Å²	39.8	32%	0.318	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	125.2	-176.1	-166.9	-118.6	0	0	0	112.8	W192 Y195 R196 H202 I227 D245 W249	W192-W200 HydrophobicContact CH2-CH2 4.22Å; W192-W200 AromaticContact CH2-CZ3 3.77Å; W192-W200 HydrophobicContact CH2-CZ3 3.77Å; W192-W200 AromaticContact CZ2-CH2 3.94Å; W192-W200 HydrophobicContact CZ2-CH2 3.94Å; W192-W200 AromaticContact CZ2-CZ3 3.6Å; W192-W200 HydrophobicContact CZ2-CZ3 3.6Å; Y195-W200 HydrophobicContact CD1-CE3 4.15Å; Y195-W200 HydrophobicContact CD1-CZ3 4.44Å; Y195-W200 AromaticContact CE1-CE3 3.66Å; Y195-W200 HydrophobicContact CE1-CE3 3.66Å; Y195-W200 HydrophobicContact CE1-CZ3 4.02Å; Y195-W200 PolarHBondContact O-N 2.77Å; R196-W200 HydrophobicContact CB-CE3 4.14Å; R196-W200 HydrophobicContact CB-CZ3 4.45Å; R196-W200 HydrophobicContact CG-CD2 4.37Å; R196-W200 HydrophobicContact CG-CE3 3.95Å; R196-W200 HydrophobicContact CG-CZ3 4.25Å; R196-W200 WeakPolarHBondContact O-CB 3.33Å; W200-H202 PolarHBondContact O-N 2.92Å; W200-I227 HydrophobicContact CD2-CD1 4.15Å; W200-I227 HydrophobicContact CE3-CD1 3.93Å; W200-I227 HydrophobicContact CE3-CG1 4.19Å; W200-I227 HydrophobicContact CH2-CD1 4.06Å; W200-I227 HydrophobicContact CH2-CG1 4.25Å; W200-I227 HydrophobicContact CZ2-CD1 4.27Å; W200-I227 HydrophobicContact CZ3-CD1 3.88Å; W200-I227 HydrophobicContact CZ3-CG1 3.84Å; W200-D245 HydrophobicContact CH2-CB 4.21Å; W200-W249 AromaticContact CE2-CD1 3.82Å; W200-W249 HydrophobicContact CH2-CB 4.39Å; W200-W249 HydrophobicContact CZ2-CB 3.69Å; W200-W249 HydrophobicContact CZ2-CG 4.09Å; W200-W249 AromaticContact NE1-CD1 3.42Å
201	G	95.6	Very high	98	Very high	5 Å²	5	43.9 Å²	43.9	5%	0.052	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.8	-15.8	-177	0	0	0	0	0	115.2	Y195 G199 Q222 G224 W249	Y195-G201 PolarHBondContact OH-N 3.46Å; G199-G201 PolarHBondContact O-N 3.47Å; G201-Q222 WeakPolarHBondContact O-CB 3.48Å; G201-G224 WeakPolarHBondContact O-CA 3.48Å; G201-G224 PolarHBondContact O-N 2.66Å; G201-W249 VanDerWaalsContact CA-CZ2 3.49Å
202	H	96.3	Very high	97.9	Very high	53 Å²	53	44.7 Å²	44.7	25%	0.245	21%	0.214	C	C	.	.	S	Bend	trans	-73.6	160.7	169	-68.4	-100.3	0	0	0	111	Y195 G199 W200 Q222	Y195-H202 WeakPolarHBondContact CE2-O 3.15Å; Y195-H202 PolarHBondContact OH-O 3.15Å; G199-H202 WeakPolarHBondContact O-CA 3.37Å; G199-H202 VanDerWaalsContact O-CB 3.27Å; G199-H202 WeakPolarHBondContact O-CB 3.37Å; G199-H202 PolarHBondContact O-N 2.91Å; W200-H202 PolarHBondContact O-N 2.92Å; H202-Q222 PolarHBondContact CE1-NE2 3.27Å; H202-Q222 PolarHBondContact ND1-NE2 3.1Å
203	N	96.4	Very high	97.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.223	C	C	.	.	S	Bend	trans	-67.7	-39.8	-178.2	-61.2	-30.9	0	0	0	111.4	H213 F218 S221 M223 G224 A225 T226	N203-H213 PolarHBondContact N-O 3.43Å; N203-F218 HydrophobicContact CB-CD2 3.66Å; N203-F218 HydrophobicContact CB-CE2 4.25Å; N203-F218 HydrophobicContact CB-CG 4.49Å; N203-F218 WeakPolarHBondContact ND2-CB 3.43Å; N203-S221 PolarHBondContact ND2-O 2.73Å; N203-M223 WeakPolarHBondContact OD1-CA 3.38Å; N203-M223 PolarHBondContact OD1-N 2.78Å; N203-G224 PolarHBondContact OD1-N 2.74Å; N203-A225 HydrophobicContact CB-CB 3.85Å; N203-T226 WeakPolarHBondContact O-CB 3.26Å; N203-T226 PolarHBondContact O-N 3.19Å; N203-T226 PolarHBondContact O-OG1 2.81Å
204	E	97.9	Very high	97.2	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	177.8	-177.2	-66.9	-175.1	142.3	0	0	111.2	H213 P215 Q589 S590	E204-H213 HydrophobicContact CB-CB 3.95Å; E204-H213 PolarHBondContact N-O 2.85Å; E204-H213 PolarHBondContact O-N 3.5Å; E204-H213 IonicContact OE2-CD2 3.78Å; E204-H213 PolarHBondContact OE2-CD2 3.15Å; E204-H213 VanDerWaalsContact OE2-CD2 3.29Å; E204-P215 WeakPolarHBondContact OE2-CG 3.46Å; E204-Q589 WeakPolarHBondContact OE1-CA 2.98Å; E204-Q589 PolarHBondContact OE1-OE1 2.88Å; E204-S590 PolarHBondContact OE1-N 2.65Å; E204-S590 VanDerWaalsContact OE1-N 3.13Å
205	L	98.5	Very high	96.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	140.6	-179.9	170.4	68.4	0	0	0	111.3	N194 Y195 P207 G569 Q588	N194-L205 HydrophobicContact CB-CD2 4.21Å; Y195-L205 HydrophobicContact CD2-CB 4.16Å; L205-P207 HydrophobicContact CD2-CB 4.22Å; L205-P207 HydrophobicContact CG-CB 4.3Å; L205-P207 WeakPolarHBondContact O-CD 3.26Å; L205-G569 VanDerWaalsContact CD2-O 3.26Å; L205-G569 WeakPolarHBondContact CD2-O 3.44Å; L205-Q588 HydrophobicContact CB-CB 4.08Å; L205-Q588 HydrophobicContact CD2-CB 4.46Å; L205-Q588 HydrophobicContact CG-CB 4.5Å; L205-Q588 PolarHBondContact O-N 3.04Å
206	R	98.6	Very high	95.8	Very high	65 Å²	65	52.8 Å²	52.8	25%	0.245	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	96.4	161	-62.9	-161.4	159.2	-103	-9.4	109.1	I208 A209 R210 K211 H213 D586	R206-I208 VanDerWaalsContact C-N 3.34Å; R206-I208 PolarHBondContact O-N 2.85Å; R206-A209 HydrophobicContact CB-CB 4Å; R206-R210 VanDerWaalsContact O-CA 3.26Å; R206-R210 WeakPolarHBondContact O-CA 3.41Å; R206-R210 PolarHBondContact O-N 3.2Å; R206-K211 HydrophobicContact CB-CG 4.07Å; R206-K211 WeakPolarHBondContact CB-O 3.41Å; R206-K211 HydrophobicContact CG-CG 4.41Å; R206-K211 PolarHBondContact N-O 3.28Å; R206-K211 PolarHBondContact O-N 3.45Å; R206-H213 HydrophobicContact CG-CB 3.8Å; R206-D586 VanDerWaalsContact C-OD1 3.22Å; R206-D586 WeakPolarHBondContact CA-O 3.38Å; R206-D586 WeakPolarHBondContact CB-O 3.31Å; R206-D586 WeakPolarHBondContact CB-OD1 3.36Å; R206-D586 WeakPolarHBondContact CG-O 3.43Å; R206-D586 IonicContact NH1-OD2 3.47Å; R206-D586 PolarHBondContact NH1-OD2 2.9Å
207	P	98.6	Very high	95.1	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-17.9	-166.2	33.7	-41.5	0	0	0	113.8	L205 V567 G569 F571	L205-P207 HydrophobicContact CD2-CB 4.22Å; L205-P207 HydrophobicContact CG-CB 4.3Å; L205-P207 WeakPolarHBondContact O-CD 3.26Å; P207-V567 HydrophobicContact CB-CG2 3.62Å; P207-V567 HydrophobicContact CG-CG2 3.93Å; P207-G569 VanDerWaalsContact CA-O 3.32Å; P207-G569 WeakPolarHBondContact CA-O 3.35Å; P207-G569 WeakPolarHBondContact CB-O 3.21Å; P207-G569 VanDerWaalsContact O-CA 3.27Å; P207-G569 WeakPolarHBondContact O-CA 3.31Å; P207-F571 WeakPolarHBondContact CG-O 3.36Å
208	I	98.4	Very high	94.5	Very high	87 Å²	87	45.3 Å²	45.3	45%	0.446	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-47.3	174	-59.4	176.5	0	0	0	109.5	R206 R210 V567 H584 D586	R206-I208 VanDerWaalsContact C-N 3.34Å; R206-I208 PolarHBondContact O-N 2.85Å; I208-R210 PolarHBondContact O-N 3.37Å; I208-V567 HydrophobicContact CG1-CG1 4.37Å; I208-V567 HydrophobicContact CG1-CG2 4.34Å; I208-H584 HydrophobicContact CD1-CB 3.25Å; I208-D586 WeakPolarHBondContact CA-OD1 3.44Å; I208-D586 HydrophobicContact CB-CB 4.26Å; I208-D586 WeakPolarHBondContact CB-OD1 3.41Å; I208-D586 HydrophobicContact CD1-CB 4.33Å; I208-D586 PolarHBondContact N-OD1 2.79Å
209	A	98.2	Very high	93.7	Very high	50 Å²	50	42.2 Å²	42.2	41%	0.413	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-11.9	176.6	0	0	0	0	0	113.5	R206 K211 D586	R206-A209 HydrophobicContact CB-CB 4Å; A209-K211 HydrophobicContact CB-CD 4.22Å; A209-K211 HydrophobicContact CB-CG 4.01Å; A209-K211 PolarHBondContact O-N 3.45Å; A209-D586 WeakPolarHBondContact CB-OD2 3.33Å; A209-D586 PolarHBondContact N-OD1 2.81Å
210	R	98.4	Very high	92.8	Very high	116 Å²	116	47.2 Å²	47.2	44%	0.438	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	53.4	-178.4	-63.5	-179.2	-179.8	-174.1	-0.1	112.5	Y198 R206 I208 S568	Y198-R210 HydrophobicContact CD1-CB 3.79Å; Y198-R210 HydrophobicContact CD1-CG 4.44Å; Y198-R210 HydrophobicContact CD2-CB 4.14Å; Y198-R210 HydrophobicContact CD2-CG 4.14Å; Y198-R210 HydrophobicContact CE1-CB 4.09Å; Y198-R210 HydrophobicContact CE1-CG 4.39Å; Y198-R210 HydrophobicContact CE2-CB 4.4Å; Y198-R210 HydrophobicContact CE2-CG 4.05Å; Y198-R210 HydrophobicContact CG-CB 3.83Å; Y198-R210 HydrophobicContact CG-CG 4.34Å; R206-R210 VanDerWaalsContact O-CA 3.26Å; R206-R210 WeakPolarHBondContact O-CA 3.41Å; R206-R210 PolarHBondContact O-N 3.2Å; I208-R210 PolarHBondContact O-N 3.37Å; R210-S568 PolarHBondContact NH2-OG 3.31Å
211	K	97.5	Very high	92	Very high	116 Å²	116	44.1 Å²	44.1	50%	0.504	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	161.8	178.3	66.7	-178.5	-176.5	-177.7	0	111.8	Y198 R206 A209	Y198-K211 CarbonylContact O-C 3.57Å; Y198-K211 VanDerWaalsContact O-C 3.31Å; Y198-K211 WeakPolarHBondContact O-CA 3.32Å; R206-K211 HydrophobicContact CB-CG 4.07Å; R206-K211 WeakPolarHBondContact CB-O 3.41Å; R206-K211 HydrophobicContact CG-CG 4.41Å; R206-K211 PolarHBondContact N-O 3.28Å; R206-K211 PolarHBondContact O-N 3.45Å; A209-K211 HydrophobicContact CB-CD 4.22Å; A209-K211 HydrophobicContact CB-CG 4.01Å; A209-K211 PolarHBondContact O-N 3.45Å
212	G	96.2	Very high	91.7	Very high	17 Å²	17	49.5 Å²	49.5	18%	0.175	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	149.8	173.1	0	0	0	0	0	114.3	Y198	Y198-G212 PolarHBondContact O-N 3.27Å; Y198-G212 VanDerWaalsContact O-N 3.16Å
213	H	94.1	Very high	91.4	Very high	40 Å²	40	47.1 Å²	47.1	19%	0.185	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	141.3	170.5	-172	38.9	0	0	0	109.7	N203 E204 R206	N203-H213 PolarHBondContact N-O 3.43Å; E204-H213 HydrophobicContact CB-CB 3.95Å; E204-H213 PolarHBondContact N-O 2.85Å; E204-H213 PolarHBondContact O-N 3.5Å; E204-H213 IonicContact OE2-CD2 3.78Å; E204-H213 PolarHBondContact OE2-CD2 3.15Å; E204-H213 VanDerWaalsContact OE2-CD2 3.29Å; R206-H213 HydrophobicContact CG-CB 3.8Å
214	S	88.3	Confident	91.4	Very high	37 Å²	37	47.1 Å²	47.1	26%	0.259	25%	0.253	S	S	.	.			trans	-130	99.3	172.3	-68.6	0	0	0	0	107.5
215	P	84.4	Confident	91.4	Very high	21 Å²	21	47.1 Å²	47.1	14%	0.136	25%	0.253	C	S	.	.			trans	-70.2	151.5	175.7	31.7	-36.6	0	0	0	109.9	E204 I217 F218	E204-P215 WeakPolarHBondContact OE2-CG 3.46Å; P215-I217 HydrophobicContact CB-CG1 4.13Å; P215-I217 HydrophobicContact CG-CD1 4.4Å; P215-I217 HydrophobicContact CG-CG1 3.95Å; P215-I217 PolarHBondContact O-N 3.12Å; P215-F218 HydrophobicContact CG-CD2 3.53Å; P215-F218 HydrophobicContact CG-CE2 3.67Å; P215-F218 PolarHBondContact O-N 3.05Å
216	N	84.1	Confident	91.4	Very high	144 Å²	144	47.1 Å²	47.1	77%	0.77	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-61.8	-19.7	-173.6	-68.2	-21.6	0	0	0	114	F218 G219	N216-F218 PolarHBondContact O-N 3.33Å; N216-G219 WeakPolarHBondContact O-CA 3.09Å; N216-G219 PolarHBondContact O-N 3.09Å
217	I	84.1	Confident	91.4	Very high	41 Å²	41	44 Å²	44	21%	0.21	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-64.7	-25.2	180	59.2	171.6	0	0	0	113.1	P215 G219 S263 E266 W323	P215-I217 HydrophobicContact CB-CG1 4.13Å; P215-I217 HydrophobicContact CG-CD1 4.4Å; P215-I217 HydrophobicContact CG-CG1 3.95Å; P215-I217 PolarHBondContact O-N 3.12Å; I217-G219 VanDerWaalsContact C-N 3.35Å; I217-S263 PolarHBondContact O-N 3.03Å; I217-E266 HydrophobicContact CB-CG 4.14Å; I217-E266 HydrophobicContact CD1-CB 4.28Å; I217-E266 HydrophobicContact CD1-CG 3.91Å; I217-E266 HydrophobicContact CG2-CG 4.48Å; I217-W323 HydrophobicContact CG2-CH2 4.48Å
218	F	85.4	Confident	91.4	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-98.9	13.3	174	-55.1	-49.3	0	0	0	112.1	N203 P215 N216 M223 A225 E266 V267 F271	N203-F218 HydrophobicContact CB-CD2 3.66Å; N203-F218 HydrophobicContact CB-CE2 4.25Å; N203-F218 HydrophobicContact CB-CG 4.49Å; N203-F218 WeakPolarHBondContact ND2-CB 3.43Å; P215-F218 HydrophobicContact CG-CD2 3.53Å; P215-F218 HydrophobicContact CG-CE2 3.67Å; P215-F218 PolarHBondContact O-N 3.05Å; N216-F218 PolarHBondContact O-N 3.33Å; F218-M223 HydrophobicContact CB-CE 3.71Å; F218-M223 HydrophobicContact CD1-CE 4.37Å; F218-M223 HydrophobicContact CG-CE 4.4Å; F218-M223 WeakPolarHBondContact O-CE 3.46Å; F218-A225 HydrophobicContact CD2-CB 4.1Å; F218-A225 HydrophobicContact CE1-CB 4.49Å; F218-A225 HydrophobicContact CE2-CB 3.76Å; F218-A225 HydrophobicContact CZ-CB 3.98Å; F218-E266 HydrophobicContact CE1-CB 4.08Å; F218-V267 HydrophobicContact CD1-CG2 4.28Å; F218-F271 AromaticContact CD1-CE2 3.78Å; F218-F271 HydrophobicContact CD1-CE2 3.78Å; F218-F271 HydrophobicContact CE1-CD2 4.49Å; F218-F271 AromaticContact CE1-CE2 3.84Å; F218-F271 HydrophobicContact CE1-CE2 3.84Å; F218-F271 HydrophobicContact CG-CE2 4.46Å
219	G	80.9	Confident	91.4	Very high	9 Å²	9	39.9 Å²	39.9	9%	0.093	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	66	-161	-171.8	0	0	0	0	0	112.8	N216 I217 S221 S260 E261	N216-G219 WeakPolarHBondContact O-CA 3.09Å; N216-G219 PolarHBondContact O-N 3.09Å; I217-G219 VanDerWaalsContact C-N 3.35Å; G219-S221 VanDerWaalsContact C-N 3.27Å; G219-S260 WeakPolarHBondContact CA-OG 3.3Å; G219-E261 WeakPolarHBondContact CA-O 3.46Å; G219-E261 PolarHBondContact N-O 3.3Å
220	S	78.2	Confident	91.5	Very high	105 Å²	105	37.5 Å²	37.5	73%	0.734	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.8	1.5	179	56	0	0	0	0	113.6	S260	S220-S260 PolarHBondContact N-OG 2.93Å
221	S	82.2	Confident	91.5	Very high	20 Å²	20	32 Å²	32	14%	0.14	18%	0.18	C	C	.	.	S	Bend	trans	-91.2	143.5	-173.4	-66.4	0	0	0	0	111.6	N203 G219 M223 V258 S260	N203-S221 PolarHBondContact ND2-O 2.73Å; G219-S221 VanDerWaalsContact C-N 3.27Å; S221-M223 PolarHBondContact O-N 3.42Å; S221-V258 WeakPolarHBondContact OG-CB 3.34Å; S221-S260 PolarHBondContact N-OG 2.83Å; S221-S260 VanDerWaalsContact OG-CB 3.29Å; S221-S260 WeakPolarHBondContact OG-CB 3.41Å; S221-S260 PolarHBondContact OG-OG 2.84Å
222	Q	88.4	Confident	91.5	Very high	118 Å²	118	26.4 Å²	26.4	55%	0.551	16%	0.156	S	C	*	.			trans	-83.2	96.6	170.7	-67.6	174.9	-0.7	0	0	107.8	G201 H202	G201-Q222 WeakPolarHBondContact O-CB 3.48Å; H202-Q222 PolarHBondContact CE1-NE2 3.27Å; H202-Q222 PolarHBondContact ND1-NE2 3.1Å
223	M	91.7	Very high	91.7	Very high	3 Å²	3	25.6 Å²	25.6	2%	0.015	15%	0.147	C	C	.	.			trans	-103.7	-1.6	-179.2	-62.3	-167.7	-60.7	0	0	112.1	N203 F218 S221 W249 L254 V262 V267 F271 L315	N203-M223 WeakPolarHBondContact OD1-CA 3.38Å; N203-M223 PolarHBondContact OD1-N 2.78Å; F218-M223 HydrophobicContact CB-CE 3.71Å; F218-M223 HydrophobicContact CD1-CE 4.37Å; F218-M223 HydrophobicContact CG-CE 4.4Å; F218-M223 WeakPolarHBondContact O-CE 3.46Å; S221-M223 PolarHBondContact O-N 3.42Å; M223-W249 VanDerWaalsContact C-CH2 3.5Å; M223-W249 WeakPolarHBondContact O-CH2 3.31Å; M223-L254 HydrophobicContact CB-CD1 4.43Å; M223-L254 VanDerWaalsContact O-CD1 3.24Å; M223-L254 WeakPolarHBondContact O-CD1 3.46Å; M223-V262 HydrophobicContact CE-CG1 3.96Å; M223-V267 HydrophobicContact CE-CG2 4.35Å; M223-F271 HydrophobicContact CB-CE1 3.73Å; M223-F271 HydrophobicContact CB-CZ 3.62Å; M223-F271 HydrophobicContact CE-CE2 4.25Å; M223-F271 HydrophobicContact CE-CZ 4.12Å; M223-F271 VanDerWaalsContact O-CE1 3.32Å; M223-F271 WeakPolarHBondContact O-CE1 3.44Å; M223-L315 HydrophobicContact SD-CD1 4.01Å
224	G	95.9	Very high	91.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.139	C	C	.	.			trans	67.9	40.2	178.3	0	0	0	0	0	113.7	G201 N203 T226 I227 V228	G201-G224 WeakPolarHBondContact O-CA 3.48Å; G201-G224 PolarHBondContact O-N 2.66Å; N203-G224 PolarHBondContact OD1-N 2.74Å; G224-T226 VanDerWaalsContact C-N 3.33Å; G224-T226 PolarHBondContact O-N 3.26Å; G224-I227 WeakPolarHBondContact O-CA 3.37Å; G224-I227 VanDerWaalsContact O-CB 3.31Å; G224-I227 WeakPolarHBondContact O-CB 3.27Å; G224-I227 PolarHBondContact O-N 3.09Å; G224-V228 PolarHBondContact O-N 3.38Å; G224-V228 VanDerWaalsContact O-N 3.12Å
225	A	97.4	Very high	92.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-48.5	-49.8	-179.9	0	0	0	0	0	113	N203 F218 I227 V228 D229 F271	N203-A225 HydrophobicContact CB-CB 3.85Å; F218-A225 HydrophobicContact CD2-CB 4.1Å; F218-A225 HydrophobicContact CE1-CB 4.49Å; F218-A225 HydrophobicContact CE2-CB 3.76Å; F218-A225 HydrophobicContact CZ-CB 3.98Å; A225-I227 VanDerWaalsContact C-N 3.26Å; A225-I227 PolarHBondContact O-N 3.03Å; A225-V228 PolarHBondContact O-N 3.16Å; A225-V228 VanDerWaalsContact O-N 3.15Å; A225-D229 VanDerWaalsContact O-CB 3.32Å; A225-D229 WeakPolarHBondContact O-CB 3.35Å; A225-D229 PolarHBondContact O-N 3.46Å; A225-F271 VanDerWaalsContact CA-CZ 3.42Å; A225-F271 HydrophobicContact CB-CE2 3.74Å; A225-F271 HydrophobicContact CB-CZ 3.57Å
226	T	98.6	Very high	93	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-61.5	-29.2	176.3	-61.3	0	0	0	0	113.4	Y195 N203 G224 A230 L593	Y195-T226 HydrophobicContact CD1-CG2 3.94Å; Y195-T226 HydrophobicContact CD2-CG2 3.61Å; Y195-T226 HydrophobicContact CE1-CG2 4.16Å; Y195-T226 HydrophobicContact CE2-CG2 3.84Å; Y195-T226 HydrophobicContact CG-CG2 3.68Å; N203-T226 WeakPolarHBondContact O-CB 3.26Å; N203-T226 PolarHBondContact O-N 3.19Å; N203-T226 PolarHBondContact O-OG1 2.81Å; G224-T226 VanDerWaalsContact C-N 3.33Å; G224-T226 PolarHBondContact O-N 3.26Å; T226-A230 WeakPolarHBondContact O-CB 3.33Å; T226-A230 PolarHBondContact O-N 2.85Å; T226-L593 HydrophobicContact CG2-CD1 4.22Å; T226-L593 HydrophobicContact CG2-CD2 4.04Å
227	I	98.8	Very high	93.7	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-65.9	-52.6	174.1	-67.6	168.2	0	0	0	109.2	W192 Y195 W200 G224 A225 A230 L231 W249 I250	W192-I227 HydrophobicContact CH2-CG1 4.3Å; W192-I227 HydrophobicContact CH2-CG2 4.47Å; Y195-I227 HydrophobicContact CE1-CD1 4.17Å; Y195-I227 HydrophobicContact CE1-CG1 3.5Å; Y195-I227 VanDerWaalsContact CE1-CG1 3.5Å; Y195-I227 WeakPolarHBondContact OH-CG1 3.42Å; W200-I227 HydrophobicContact CD2-CD1 4.15Å; W200-I227 HydrophobicContact CE3-CD1 3.93Å; W200-I227 HydrophobicContact CE3-CG1 4.19Å; W200-I227 HydrophobicContact CH2-CD1 4.06Å; W200-I227 HydrophobicContact CH2-CG1 4.25Å; W200-I227 HydrophobicContact CZ2-CD1 4.27Å; W200-I227 HydrophobicContact CZ3-CD1 3.88Å; W200-I227 HydrophobicContact CZ3-CG1 3.84Å; G224-I227 WeakPolarHBondContact O-CA 3.37Å; G224-I227 VanDerWaalsContact O-CB 3.31Å; G224-I227 WeakPolarHBondContact O-CB 3.27Å; G224-I227 PolarHBondContact O-N 3.09Å; A225-I227 VanDerWaalsContact C-N 3.26Å; A225-I227 PolarHBondContact O-N 3.03Å; I227-A230 PolarHBondContact O-N 3.36Å; I227-L231 WeakPolarHBondContact O-CG 3.47Å; I227-W249 HydrophobicContact CB-CE3 4.33Å; I227-W249 HydrophobicContact CD1-CB 4.23Å; I227-W249 HydrophobicContact CD1-CD2 3.34Å; I227-W249 HydrophobicContact CD1-CE3 3.53Å; I227-W249 HydrophobicContact CD1-CG 3.64Å; I227-W249 HydrophobicContact CD1-CZ2 4.38Å; I227-W249 HydrophobicContact CD1-CZ3 4.14Å; I227-W249 HydrophobicContact CG2-CE3 4.09Å; I227-I250 HydrophobicContact CG2-CD1 4.26Å; I227-I250 HydrophobicContact CG2-CG1 4.32Å
228	V	98.7	Very high	94.3	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-65.7	-47.5	-176	-179.3	0	0	0	0	111.1	G224 A225 A230 L231 I250 L254 F271 L275	G224-V228 PolarHBondContact O-N 3.38Å; G224-V228 VanDerWaalsContact O-N 3.12Å; A225-V228 PolarHBondContact O-N 3.16Å; A225-V228 VanDerWaalsContact O-N 3.15Å; V228-A230 PolarHBondContact O-N 2.95Å; V228-L231 PolarHBondContact O-N 2.84Å; V228-I250 HydrophobicContact CG2-CD1 4.06Å; V228-I250 HydrophobicContact CG2-CG1 4.4Å; V228-L254 HydrophobicContact CG2-CD2 4.25Å; V228-F271 HydrophobicContact CB-CD1 4.2Å; V228-F271 HydrophobicContact CB-CE1 4.46Å; V228-F271 HydrophobicContact CG1-CD1 4.29Å; V228-F271 HydrophobicContact CG2-CD1 3.87Å; V228-F271 HydrophobicContact CG2-CE1 3.99Å; V228-L275 HydrophobicContact CG1-CD2 4.18Å; V228-L275 HydrophobicContact CG1-CG 3.84Å
229	D	98.6	Very high	94.9	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-64	-27.9	-177.8	-82.5	7.1	0	0	0	113.2	A225 R270 S590 A594 H622	A225-D229 VanDerWaalsContact O-CB 3.32Å; A225-D229 WeakPolarHBondContact O-CB 3.35Å; A225-D229 PolarHBondContact O-N 3.46Å; D229-R270 VanDerWaalsContact OD1-CA 3.29Å; D229-R270 WeakPolarHBondContact OD1-CA 3.45Å; D229-R270 WeakPolarHBondContact OD1-CB 3.3Å; D229-R270 IonicContact OD2-NH1 2.84Å; D229-S590 VanDerWaalsContact OD2-CB 3.27Å; D229-S590 WeakPolarHBondContact OD2-CB 3.16Å; D229-S590 PolarHBondContact OD2-OG 3.14Å; D229-A594 HydrophobicContact CB-CB 3.84Å; D229-A594 WeakPolarHBondContact O-CA 3.31Å; D229-A594 VanDerWaalsContact O-CB 3.31Å; D229-A594 WeakPolarHBondContact O-CB 3.35Å; D229-H622 PolarHBondContact O-CE1 2.84Å; D229-H622 IonicContact OD1-NE2 3.04Å
230	A	98.8	Very high	95.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-87.9	-15	-177.5	0	0	0	0	0	113.9	M188 W192 T226 I227 V228 D232 T233 L234 L593	M188-A230 HydrophobicContact CE-CB 3.86Å; W192-A230 HydrophobicContact CE3-CB 3.98Å; W192-A230 HydrophobicContact CZ3-CB 3.73Å; T226-A230 WeakPolarHBondContact O-CB 3.33Å; T226-A230 PolarHBondContact O-N 2.85Å; I227-A230 PolarHBondContact O-N 3.36Å; V228-A230 PolarHBondContact O-N 2.95Å; A230-D232 PolarHBondContact O-N 2.96Å; A230-T233 WeakPolarHBondContact O-CB 3.12Å; A230-T233 PolarHBondContact O-N 3.46Å; A230-L234 HydrophobicContact CB-CD1 4.26Å; A230-L234 HydrophobicContact CB-CG 4.39Å; A230-L234 VanDerWaalsContact O-CG 3.27Å; A230-L234 WeakPolarHBondContact O-CG 3.12Å; A230-L234 PolarHBondContact O-N 3.18Å; A230-L593 HydrophobicContact CB-CB 4.11Å; A230-L593 HydrophobicContact CB-CD2 4.12Å
231	L	98.8	Very high	96.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-57	-50	-168.2	-75.6	-178.7	0	0	0	113.2	I227 V228 L234 Y235 F243 I250 A278 F287	I227-L231 WeakPolarHBondContact O-CG 3.47Å; V228-L231 PolarHBondContact O-N 2.84Å; L231-L234 PolarHBondContact O-N 2.9Å; L231-Y235 WeakPolarHBondContact O-CB 3.44Å; L231-Y235 PolarHBondContact O-N 3.32Å; L231-F243 HydrophobicContact CB-CD2 4.17Å; L231-F243 HydrophobicContact CB-CE2 4.04Å; L231-F243 HydrophobicContact CD2-CD2 3.95Å; L231-F243 HydrophobicContact CD2-CE2 4.19Å; L231-F243 WeakPolarHBondContact O-CD2 3.39Å; L231-I250 HydrophobicContact CD1-CD1 3.57Å; L231-I250 HydrophobicContact CG-CD1 4.46Å; L231-A278 HydrophobicContact CB-CB 4.04Å; L231-A278 HydrophobicContact CD1-CB 3.73Å; L231-F287 HydrophobicContact CD1-CD1 4Å; L231-F287 HydrophobicContact CD1-CE1 3.44Å; L231-F287 VanDerWaalsContact CD1-CE1 3.44Å; L231-F287 HydrophobicContact CD1-CZ 3.96Å
232	D	98.6	Very high	97.4	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-67.6	-37.1	-179.1	60.3	-4.1	0	0	0	111.8	A230 Y235 I236 A277 L281 K598 H622 P623	A230-D232 PolarHBondContact O-N 2.96Å; D232-Y235 PolarHBondContact O-N 2.98Å; D232-I236 WeakPolarHBondContact O-CG1 3.28Å; D232-I236 WeakPolarHBondContact O-CG2 3.32Å; D232-I236 PolarHBondContact O-N 2.83Å; D232-A277 HydrophobicContact CB-CB 4.03Å; D232-L281 HydrophobicContact CB-CD1 3.55Å; D232-K598 VanDerWaalsContact OD1-CE 3.32Å; D232-K598 WeakPolarHBondContact OD1-CE 3.32Å; D232-K598 IonicContact OD1-NZ 2.77Å; D232-K598 PolarHBondContact OD1-NZ 3.18Å; D232-K598 IonicContact OD2-NZ 2.92Å; D232-K598 PolarHBondContact OD2-NZ 2.95Å; D232-H622 IonicContact OD1-CE1 3.74Å; D232-H622 IonicContact OD1-ND1 3.92Å; D232-H622 WeakPolarHBondContact OD2-CA 3.43Å; D232-H622 IonicContact OD2-CE1 3.11Å; D232-H622 IonicContact OD2-CG 3.82Å; D232-H622 IonicContact OD2-ND1 2.59Å; D232-H622 PolarHBondContact OD2-ND1 3.49Å; D232-P623 WeakPolarHBondContact OD2-CD 3.31Å
233	T	98.9	Very high	97.9	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-60.3	-48.6	171.7	-53.8	0	0	0	0	111.3	M188 A230 Y235 I236 M237 L593 A594 K598	M188-T233 HydrophobicContact CE-CG2 3.79Å; M188-T233 HydrophobicContact CG-CG2 4.39Å; M188-T233 HydrophobicContact SD-CG2 3.97Å; A230-T233 WeakPolarHBondContact O-CB 3.12Å; A230-T233 PolarHBondContact O-N 3.46Å; T233-Y235 VanDerWaalsContact C-N 3.27Å; T233-Y235 PolarHBondContact O-N 2.72Å; T233-I236 WeakPolarHBondContact O-CG1 3.31Å; T233-I236 PolarHBondContact O-N 2.62Å; T233-M237 HydrophobicContact CG2-CE 3.41Å; T233-M237 VanDerWaalsContact CG2-CE 3.41Å; T233-M237 HydrophobicContact CG2-CG 4.38Å; T233-M237 HydrophobicContact CG2-SD 3.83Å; T233-M237 WeakPolarHBondContact O-CB 3.24Å; T233-M237 VanDerWaalsContact O-CG 3.26Å; T233-M237 WeakPolarHBondContact O-CG 3.47Å; T233-M237 PolarHBondContact O-N 3.44Å; T233-L593 WeakPolarHBondContact CB-O 3.39Å; T233-L593 WeakPolarHBondContact CG2-O 3.42Å; T233-L593 PolarHBondContact OG1-O 3.29Å; T233-A594 PolarHBondContact OG1-O 3.19Å; T233-K598 HydrophobicContact CG2-CB 4.25Å; T233-K598 WeakPolarHBondContact OG1-CE 3.5Å
234	L	98.8	Very high	98.2	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-58.2	-43.6	177	-69	170.5	0	0	0	110.7	M188 W192 A230 L231 M237 G238 L239 E242 F243	M188-L234 HydrophobicContact CE-CD2 3.52Å; M188-L234 HydrophobicContact CE-CG 3.71Å; M188-L234 HydrophobicContact CG-CD2 4.4Å; W192-L234 HydrophobicContact CD2-CD1 4.01Å; W192-L234 HydrophobicContact CD2-CD2 4.24Å; W192-L234 HydrophobicContact CE3-CD1 3.96Å; W192-L234 HydrophobicContact CG-CD2 4.22Å; W192-L234 HydrophobicContact CH2-CD1 3.76Å; W192-L234 HydrophobicContact CZ2-CD1 3.81Å; W192-L234 HydrophobicContact CZ3-CD1 3.85Å; A230-L234 HydrophobicContact CB-CD1 4.26Å; A230-L234 HydrophobicContact CB-CG 4.39Å; A230-L234 VanDerWaalsContact O-CG 3.27Å; A230-L234 WeakPolarHBondContact O-CG 3.12Å; A230-L234 PolarHBondContact O-N 3.18Å; L231-L234 PolarHBondContact O-N 2.9Å; L234-M237 PolarHBondContact O-N 3.17Å; L234-G238 PolarHBondContact O-N 3.48Å; L234-L239 HydrophobicContact CB-CB 4.29Å; L234-L239 HydrophobicContact CD2-CB 3.94Å; L234-L239 HydrophobicContact CD2-CD1 3.76Å; L234-L239 WeakPolarHBondContact O-CA 3.38Å; L234-L239 WeakPolarHBondContact O-CB 3.19Å; L234-L239 PolarHBondContact O-N 3.37Å; L234-E242 HydrophobicContact CD1-CB 4.09Å; L234-E242 HydrophobicContact CD2-CB 3.82Å; L234-E242 HydrophobicContact CG-CB 4.47Å; L234-F243 HydrophobicContact CB-CB 4.3Å
235	Y	98.3	Very high	98.3	Very high	50 Å²	50	19 Å²	19	20%	0.196	11%	0.11	C	C	.	.	H	α-helix	trans	-62.1	-52.4	-179.9	-165.9	-87.1	0	0	0	111.9	L231 D232 T233 M237 G238 H240 F243 L281	L231-Y235 WeakPolarHBondContact O-CB 3.44Å; L231-Y235 PolarHBondContact O-N 3.32Å; D232-Y235 PolarHBondContact O-N 2.98Å; T233-Y235 VanDerWaalsContact C-N 3.27Å; T233-Y235 PolarHBondContact O-N 2.72Å; Y235-M237 VanDerWaalsContact C-N 3.27Å; Y235-M237 PolarHBondContact O-N 2.94Å; Y235-G238 PolarHBondContact O-N 3.35Å; Y235-H240 AromaticContact CD2-ND1 3.95Å; Y235-F243 HydrophobicContact CD2-CD1 4.27Å; Y235-F243 HydrophobicContact CD2-CD2 4.02Å; Y235-F243 HydrophobicContact CD2-CE1 4.2Å; Y235-F243 AromaticContact CD2-CE2 3.92Å; Y235-F243 HydrophobicContact CD2-CE2 3.92Å; Y235-F243 HydrophobicContact CD2-CG 4.18Å; Y235-F243 HydrophobicContact CD2-CZ 4.01Å; Y235-L281 HydrophobicContact CD1-CB 3.77Å; Y235-L281 HydrophobicContact CD1-CD1 4.27Å; Y235-L281 HydrophobicContact CD1-CG 4.44Å; Y235-L281 HydrophobicContact CE1-CB 3.9Å; Y235-L281 WeakPolarHBondContact CE1-O 3.43Å; Y235-L281 HydrophobicContact CG-CB 4.21Å; Y235-L281 PolarHBondContact OH-O 2.93Å
236	I	98.1	Very high	98.3	Very high	11 Å²	11	19 Å²	19	6%	0.056	11%	0.11	C	C	.	.	H	α-helix	trans	-70.8	-22.4	-177	69.2	170.3	0	0	0	113.3	D232 T233 L281 K598 Y601 L602 L610	D232-I236 WeakPolarHBondContact O-CG1 3.28Å; D232-I236 WeakPolarHBondContact O-CG2 3.32Å; D232-I236 PolarHBondContact O-N 2.83Å; T233-I236 WeakPolarHBondContact O-CG1 3.31Å; T233-I236 PolarHBondContact O-N 2.62Å; I236-L281 HydrophobicContact CG2-CD1 4.07Å; I236-K598 HydrophobicContact CD1-CD 4.45Å; I236-K598 HydrophobicContact CD1-CG 3.83Å; I236-Y601 HydrophobicContact CD1-CD1 4.44Å; I236-L602 HydrophobicContact CD1-CD2 4.23Å; I236-L602 HydrophobicContact CD1-CG 4.42Å; I236-L610 HydrophobicContact CD1-CD1 4.26Å; I236-L610 HydrophobicContact CG2-CD1 4.13Å
237	M	98.1	Very high	98.3	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.01	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-1.8	172.9	-69.4	-176.6	-178.6	0	0	112.9	I184 K185 M188 T233 L234 Y235 L239 L597 Y601	I184-M237 HydrophobicContact CG2-CE 4.27Å; K185-M237 HydrophobicContact CD-CB 4.49Å; K185-M237 WeakPolarHBondContact CD-O 3.37Å; K185-M237 WeakPolarHBondContact CE-O 3.49Å; K185-M237 HydrophobicContact CG-CB 4.39Å; K185-M237 PolarHBondContact NZ-O 3.43Å; M188-M237 HydrophobicContact CB-CE 4.07Å; M188-M237 HydrophobicContact CB-SD 3.53Å; M188-M237 VanDerWaalsContact CB-SD 3.53Å; M188-M237 HydrophobicContact CG-CE 4.31Å; M188-M237 HydrophobicContact CG-SD 3.56Å; M188-M237 VanDerWaalsContact CG-SD 3.56Å; T233-M237 HydrophobicContact CG2-CE 3.41Å; T233-M237 VanDerWaalsContact CG2-CE 3.41Å; T233-M237 HydrophobicContact CG2-CG 4.38Å; T233-M237 HydrophobicContact CG2-SD 3.83Å; T233-M237 WeakPolarHBondContact O-CB 3.24Å; T233-M237 VanDerWaalsContact O-CG 3.26Å; T233-M237 WeakPolarHBondContact O-CG 3.47Å; T233-M237 PolarHBondContact O-N 3.44Å; L234-M237 PolarHBondContact O-N 3.17Å; Y235-M237 VanDerWaalsContact C-N 3.27Å; Y235-M237 PolarHBondContact O-N 2.94Å; M237-L239 VanDerWaalsContact C-N 3.27Å; M237-L239 HydrophobicContact CB-CD1 4.21Å; M237-L239 HydrophobicContact CB-CG 4.16Å; M237-L239 PolarHBondContact O-N 3.03Å; M237-L239 HydrophobicContact SD-CD1 4.45Å; M237-L597 HydrophobicContact CE-CB 4.25Å; M237-L597 WeakPolarHBondContact CE-O 3.1Å; M237-Y601 HydrophobicContact CB-CE2 4.39Å; M237-Y601 HydrophobicContact CE-CD2 4Å; M237-Y601 HydrophobicContact CE-CG 3.84Å; M237-Y601 HydrophobicContact CG-CD1 3.98Å; M237-Y601 HydrophobicContact CG-CD2 3.84Å; M237-Y601 HydrophobicContact CG-CE1 3.97Å; M237-Y601 HydrophobicContact CG-CE2 3.84Å; M237-Y601 HydrophobicContact CG-CG 3.91Å; M237-Y601 HydrophobicContact SD-CD2 4.36Å
238	G	96.9	Very high	98.3	Very high	35 Å²	35	26.4 Å²	26.4	36%	0.361	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	21.6	-176.3	0	0	0	0	0	113.8	L234 Y235 H240	L234-G238 PolarHBondContact O-N 3.48Å; Y235-G238 PolarHBondContact O-N 3.35Å; G238-H240 PolarHBondContact O-N 3.07Å; G238-H240 VanDerWaalsContact O-N 3.12Å
239	L	98.1	Very high	98.3	Very high	12 Å²	12	27.5 Å²	27.5	6%	0.063	14%	0.143	C	C	.	.			trans	-85.5	56.9	174.3	-63	173.8	0	0	0	109.7	K185 M188 L234 M237 A241 E242 F243	K185-L239 HydrophobicContact CG-CD1 4.48Å; K185-L239 HydrophobicContact CG-CD2 4.43Å; M188-L239 HydrophobicContact CG-CD1 3.97Å; L234-L239 HydrophobicContact CB-CB 4.29Å; L234-L239 HydrophobicContact CD2-CB 3.94Å; L234-L239 HydrophobicContact CD2-CD1 3.76Å; L234-L239 WeakPolarHBondContact O-CA 3.38Å; L234-L239 WeakPolarHBondContact O-CB 3.19Å; L234-L239 PolarHBondContact O-N 3.37Å; M237-L239 VanDerWaalsContact C-N 3.27Å; M237-L239 HydrophobicContact CB-CD1 4.21Å; M237-L239 HydrophobicContact CB-CG 4.16Å; M237-L239 PolarHBondContact O-N 3.03Å; M237-L239 HydrophobicContact SD-CD1 4.45Å; L239-A241 VanDerWaalsContact C-N 3.31Å; L239-A241 PolarHBondContact O-N 2.86Å; L239-E242 HydrophobicContact CB-CB 4.29Å; L239-E242 PolarHBondContact O-N 3.16Å; L239-F243 PolarHBondContact O-N 3.24Å
240	H	97.6	Very high	98.2	Very high	91 Å²	91	27.5 Å²	27.5	42%	0.421	14%	0.143	S	C	.	.	H	α-helix	trans	-68.6	-27.3	-170.9	-62.6	-60.2	0	0	0	113.5	Y235 G238 F243 L244	Y235-H240 AromaticContact CD2-ND1 3.95Å; G238-H240 PolarHBondContact O-N 3.07Å; G238-H240 VanDerWaalsContact O-N 3.12Å; H240-F243 PolarHBondContact O-N 3.36Å; H240-L244 VanDerWaalsContact O-CG 3.25Å; H240-L244 WeakPolarHBondContact O-CG 3.1Å; H240-L244 PolarHBondContact O-N 3.08Å
241	A	98.2	Very high	98.1	Very high	62 Å²	62	31.4 Å²	31.4	51%	0.512	16%	0.161	S	C	.	.	H	α-helix	trans	-65.5	-46.8	175.2	0	0	0	0	0	110.6	L239 L244 D245	L239-A241 VanDerWaalsContact C-N 3.31Å; L239-A241 PolarHBondContact O-N 2.86Å; A241-L244 PolarHBondContact O-N 3.09Å; A241-D245 PolarHBondContact O-N 3.18Å; A241-D245 VanDerWaalsContact O-N 3.09Å; A241-D245 VanDerWaalsContact O-OD2 3.11Å
242	E	98.6	Very high	98	Very high	24 Å²	24	37.6 Å²	37.6	11%	0.112	19%	0.194	C	C	.	.	H	α-helix	trans	-62.8	-41	175.3	-68.1	83.6	171.6	0	0	112.2	K189 W192 L234 L239 D245 G246	K189-E242 IonicContact NZ-OE1 2.91Å; K189-E242 PolarHBondContact NZ-OE1 2.85Å; W192-E242 VanDerWaalsContact CD1-CG 3.44Å; W192-E242 HydrophobicContact CG-CG 4.44Å; L234-E242 HydrophobicContact CD1-CB 4.09Å; L234-E242 HydrophobicContact CD2-CB 3.82Å; L234-E242 HydrophobicContact CG-CB 4.47Å; L239-E242 HydrophobicContact CB-CB 4.29Å; L239-E242 PolarHBondContact O-N 3.16Å; E242-D245 WeakPolarHBondContact O-CB 3.33Å; E242-D245 PolarHBondContact O-N 3.07Å; E242-G246 PolarHBondContact O-N 3.5Å; E242-G246 VanDerWaalsContact O-N 3.11Å
243	F	98.6	Very high	97.9	Very high	7 Å²	7	42.1 Å²	42.1	3%	0.031	22%	0.218	C	C	.	.	H	α-helix	trans	-56.9	-48.5	172.8	175.4	-92.5	0	0	0	111.8	L231 L234 Y235 L239 H240 D245 G246 Q247 A278 F287	L231-F243 HydrophobicContact CB-CD2 4.17Å; L231-F243 HydrophobicContact CB-CE2 4.04Å; L231-F243 HydrophobicContact CD2-CD2 3.95Å; L231-F243 HydrophobicContact CD2-CE2 4.19Å; L231-F243 WeakPolarHBondContact O-CD2 3.39Å; L234-F243 HydrophobicContact CB-CB 4.3Å; Y235-F243 HydrophobicContact CD2-CD1 4.27Å; Y235-F243 HydrophobicContact CD2-CD2 4.02Å; Y235-F243 HydrophobicContact CD2-CE1 4.2Å; Y235-F243 AromaticContact CD2-CE2 3.92Å; Y235-F243 HydrophobicContact CD2-CE2 3.92Å; Y235-F243 HydrophobicContact CD2-CG 4.18Å; Y235-F243 HydrophobicContact CD2-CZ 4.01Å; L239-F243 PolarHBondContact O-N 3.24Å; H240-F243 PolarHBondContact O-N 3.36Å; F243-D245 VanDerWaalsContact C-N 3.28Å; F243-D245 PolarHBondContact O-N 3.49Å; F243-G246 PolarHBondContact O-N 2.95Å; F243-G246 VanDerWaalsContact O-N 3.12Å; F243-Q247 PolarHBondContact O-N 3.32Å; F243-A278 HydrophobicContact CE2-CB 4.44Å; F243-F287 HydrophobicContact CE1-CE2 4.29Å; F243-F287 HydrophobicContact CE1-CZ 4.3Å; F243-F287 HydrophobicContact CE2-CE2 4.4Å; F243-F287 HydrophobicContact CE2-CZ 4.28Å; F243-F287 AromaticContact CZ-CE2 3.6Å; F243-F287 HydrophobicContact CZ-CE2 3.6Å; F243-F287 AromaticContact CZ-CZ 3.71Å; F243-F287 HydrophobicContact CZ-CZ 3.71Å
244	L	98.3	Very high	97.7	Very high	75 Å²	75	42.2 Å²	42.2	39%	0.393	22%	0.219	S	C	.	.	H	α-helix	trans	-63.3	-33.6	179	-72.6	170.4	0	0	0	112.4	H240 A241 Q247 R248	H240-L244 VanDerWaalsContact O-CG 3.25Å; H240-L244 WeakPolarHBondContact O-CG 3.1Å; H240-L244 PolarHBondContact O-N 3.08Å; A241-L244 PolarHBondContact O-N 3.09Å; L244-Q247 PolarHBondContact O-N 3.36Å; L244-R248 VanDerWaalsContact O-CG 3.32Å; L244-R248 WeakPolarHBondContact O-CG 3.36Å; L244-R248 PolarHBondContact O-N 3.37Å
245	D	97.1	Very high	97.3	Very high	29 Å²	29	46.5 Å²	46.5	16%	0.155	24%	0.242	C	C	.	.	H	α-helix	trans	-65	-41.4	173.7	-68	-55.3	0	0	0	111.8	R196 W200 A241 E242 F243 W249	R196-D245 VanDerWaalsContact CZ-CG 3.44Å; R196-D245 IonicContact CZ-OD1 2.64Å; R196-D245 IonicContact CZ-OD2 3.93Å; R196-D245 IonicContact NH1-OD1 2.61Å; R196-D245 IonicContact NH1-OD2 2.87Å; R196-D245 PolarHBondContact NH1-OD2 2.59Å; R196-D245 IonicContact NH2-OD1 3.75Å; R196-D245 PolarHBondContact NH2-OD1 3.3Å; R196-D245 IonicContact NH2-OD2 2.79Å; R196-D245 PolarHBondContact NH2-OD2 2.93Å; W200-D245 HydrophobicContact CH2-CB 4.21Å; A241-D245 PolarHBondContact O-N 3.18Å; A241-D245 VanDerWaalsContact O-N 3.09Å; A241-D245 VanDerWaalsContact O-OD2 3.11Å; E242-D245 WeakPolarHBondContact O-CB 3.33Å; E242-D245 PolarHBondContact O-N 3.07Å; F243-D245 VanDerWaalsContact C-N 3.28Å; F243-D245 PolarHBondContact O-N 3.49Å; D245-W249 PolarHBondContact O-N 3.24Å; D245-W249 VanDerWaalsContact O-N 3.14Å
246	G	98.4	Very high	97.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64.6	-43.6	173.7	0	0	0	0	0	112.7	E242 F243 R248 W249 I250	E242-G246 PolarHBondContact O-N 3.5Å; E242-G246 VanDerWaalsContact O-N 3.11Å; F243-G246 PolarHBondContact O-N 2.95Å; F243-G246 VanDerWaalsContact O-N 3.12Å; G246-R248 PolarHBondContact O-N 2.69Å; G246-W249 PolarHBondContact O-N 3Å; G246-I250 WeakPolarHBondContact O-CG1 3.16Å; G246-I250 PolarHBondContact O-N 3.37Å
247	Q	98.3	Very high	96.7	Very high	16 Å²	16	47 Å²	47	8%	0.075	25%	0.253	C	S	.	.	H	α-helix	trans	-56.7	-51.1	175.7	-178.3	179.3	-30.9	0	0	111.6	F243 L244 W249 I250 E251 I286 F287	F243-Q247 PolarHBondContact O-N 3.32Å; L244-Q247 PolarHBondContact O-N 3.36Å; Q247-W249 VanDerWaalsContact C-N 3.29Å; Q247-W249 PolarHBondContact O-N 3.36Å; Q247-I250 WeakPolarHBondContact O-CB 3.32Å; Q247-I250 PolarHBondContact O-N 3.5Å; Q247-I250 VanDerWaalsContact O-N 3.09Å; Q247-E251 WeakPolarHBondContact CG-OE1 3.37Å; Q247-E251 PolarHBondContact NE2-OE1 3.33Å; Q247-E251 PolarHBondContact O-N 3.35Å; Q247-I286 HydrophobicContact CG-CG2 4.28Å; Q247-F287 HydrophobicContact CB-CE1 4.33Å; Q247-F287 HydrophobicContact CB-CZ 3.81Å; Q247-F287 HydrophobicContact CG-CE1 4.21Å; Q247-F287 HydrophobicContact CG-CE2 4.39Å; Q247-F287 HydrophobicContact CG-CZ 3.67Å
248	R	98.2	Very high	96.2	Very high	141 Å²	141	48.5 Å²	48.5	53%	0.532	26%	0.262	S	S	.	.	H	α-helix	trans	-58.6	-41.7	177.7	-72.8	172.4	-174.6	160.9	2.6	111.8	L244 G246 I250 E251 D252	L244-R248 VanDerWaalsContact O-CG 3.32Å; L244-R248 WeakPolarHBondContact O-CG 3.36Å; L244-R248 PolarHBondContact O-N 3.37Å; G246-R248 PolarHBondContact O-N 2.69Å; R248-I250 VanDerWaalsContact C-N 3.3Å; R248-I250 PolarHBondContact O-N 3.39Å; R248-E251 PolarHBondContact O-N 3.07Å; R248-D252 WeakPolarHBondContact O-CB 3.48Å; R248-D252 PolarHBondContact O-N 3.07Å
249	W	98.3	Very high	95.9	Very high	22 Å²	22	52.1 Å²	52.1	8%	0.083	27%	0.274	C	S	.	.	H	α-helix	trans	-61.8	-40.5	176.9	-175.3	88.8	0	0	0	112.1	W200 G201 M223 I227 D245 G246 Q247 D252 N253 L254	W200-W249 AromaticContact CE2-CD1 3.82Å; W200-W249 HydrophobicContact CH2-CB 4.39Å; W200-W249 HydrophobicContact CZ2-CB 3.69Å; W200-W249 HydrophobicContact CZ2-CG 4.09Å; W200-W249 AromaticContact NE1-CD1 3.42Å; G201-W249 VanDerWaalsContact CA-CZ2 3.49Å; M223-W249 VanDerWaalsContact C-CH2 3.5Å; M223-W249 WeakPolarHBondContact O-CH2 3.31Å; I227-W249 HydrophobicContact CB-CE3 4.33Å; I227-W249 HydrophobicContact CD1-CB 4.23Å; I227-W249 HydrophobicContact CD1-CD2 3.34Å; I227-W249 HydrophobicContact CD1-CE3 3.53Å; I227-W249 HydrophobicContact CD1-CG 3.64Å; I227-W249 HydrophobicContact CD1-CZ2 4.38Å; I227-W249 HydrophobicContact CD1-CZ3 4.14Å; I227-W249 HydrophobicContact CG2-CE3 4.09Å; D245-W249 PolarHBondContact O-N 3.24Å; D245-W249 VanDerWaalsContact O-N 3.14Å; G246-W249 PolarHBondContact O-N 3Å; Q247-W249 VanDerWaalsContact C-N 3.29Å; Q247-W249 PolarHBondContact O-N 3.36Å; W249-D252 PolarHBondContact O-N 3.16Å; W249-N253 HydrophobicContact CD2-CB 4.1Å; W249-N253 HydrophobicContact CG-CB 4.38Å; W249-N253 HydrophobicContact CZ2-CB 3.94Å; W249-N253 WeakPolarHBondContact O-CA 3.49Å; W249-N253 VanDerWaalsContact O-CB 3.26Å; W249-N253 WeakPolarHBondContact O-CB 3.36Å; W249-N253 PolarHBondContact O-N 3.14Å; W249-N253 PolarHBondContact O-ND2 3.24Å; W249-N253 VanDerWaalsContact O-ND2 3.14Å; W249-L254 HydrophobicContact CH2-CD1 4.32Å; W249-L254 HydrophobicContact CZ3-CB 4.06Å; W249-L254 HydrophobicContact CZ3-CD1 4.13Å
250	I	98.3	Very high	95.6	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-65.6	-43.3	177.3	-72.8	166.3	0	0	0	111.9	I227 V228 L231 G246 Q247 R248 D252 L254 L275 I286 F287 K290	I227-I250 HydrophobicContact CG2-CD1 4.26Å; I227-I250 HydrophobicContact CG2-CG1 4.32Å; V228-I250 HydrophobicContact CG2-CD1 4.06Å; V228-I250 HydrophobicContact CG2-CG1 4.4Å; L231-I250 HydrophobicContact CD1-CD1 3.57Å; L231-I250 HydrophobicContact CG-CD1 4.46Å; G246-I250 WeakPolarHBondContact O-CG1 3.16Å; G246-I250 PolarHBondContact O-N 3.37Å; Q247-I250 WeakPolarHBondContact O-CB 3.32Å; Q247-I250 PolarHBondContact O-N 3.5Å; Q247-I250 VanDerWaalsContact O-N 3.09Å; R248-I250 VanDerWaalsContact C-N 3.3Å; R248-I250 PolarHBondContact O-N 3.39Å; I250-D252 VanDerWaalsContact C-N 3.34Å; I250-L254 HydrophobicContact CB-CB 4.42Å; I250-L254 HydrophobicContact CG1-CD2 4.17Å; I250-L254 HydrophobicContact CG2-CB 4.23Å; I250-L254 HydrophobicContact CG2-CD2 3.95Å; I250-L254 WeakPolarHBondContact O-CB 3.47Å; I250-L254 PolarHBondContact O-N 3.24Å; I250-L275 HydrophobicContact CD1-CD2 4.19Å; I250-L275 HydrophobicContact CG2-CD2 4.44Å; I250-I286 HydrophobicContact CG2-CG1 4.4Å; I250-F287 HydrophobicContact CD1-CD1 4.25Å; I250-F287 HydrophobicContact CD1-CE1 3.86Å; I250-K290 HydrophobicContact CG2-CG 3.9Å; I250-K290 WeakPolarHBondContact O-CE 3.38Å
251	E	96.4	Very high	95.4	Very high	82 Å²	82	49.8 Å²	49.8	38%	0.383	26%	0.263	S	S	.	.	H	α-helix	trans	-57.1	-49	175.2	-75.6	171.8	-165.9	0	0	110.8	Q247 R248 I286	Q247-E251 WeakPolarHBondContact CG-OE1 3.37Å; Q247-E251 PolarHBondContact NE2-OE1 3.33Å; Q247-E251 PolarHBondContact O-N 3.35Å; R248-E251 PolarHBondContact O-N 3.07Å; E251-I286 HydrophobicContact CG-CB 4.22Å; E251-I286 HydrophobicContact CG-CD1 4.17Å; E251-I286 HydrophobicContact CG-CG1 3.65Å; E251-I286 HydrophobicContact CG-CG2 4.21Å
252	D	96	Very high	95.4	Very high	130 Å²	130	46.8 Å²	46.8	70%	0.695	24%	0.238	S	C	*	.	H	α-helix	trans	-85.4	-30.6	-170.4	-69.3	-22.5	0	0	0	114.4	R248 W249 I250	R248-D252 WeakPolarHBondContact O-CB 3.48Å; R248-D252 PolarHBondContact O-N 3.07Å; W249-D252 PolarHBondContact O-N 3.16Å; I250-D252 VanDerWaalsContact C-N 3.34Å
253	N	95.9	Very high	95.3	Very high	95 Å²	95	45.7 Å²	45.7	51%	0.508	23%	0.233	S	C	.	.	H	α-helix	trans	-127.8	-22.2	-163.5	-55.4	-90	0	0	0	115.4	W249 D255	W249-N253 HydrophobicContact CD2-CB 4.1Å; W249-N253 HydrophobicContact CG-CB 4.38Å; W249-N253 HydrophobicContact CZ2-CB 3.94Å; W249-N253 WeakPolarHBondContact O-CA 3.49Å; W249-N253 VanDerWaalsContact O-CB 3.26Å; W249-N253 WeakPolarHBondContact O-CB 3.36Å; W249-N253 PolarHBondContact O-N 3.14Å; W249-N253 PolarHBondContact O-ND2 3.24Å; W249-N253 VanDerWaalsContact O-ND2 3.14Å; N253-D255 PolarHBondContact O-N 3.3Å
254	L	95.4	Very high	95.3	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.01	23%	0.233	C	C	.	.			trans	-75.9	101.4	-175	-174.7	59.2	0	0	0	111	M223 V228 W249 I250 F256 F271 K290	M223-L254 HydrophobicContact CB-CD1 4.43Å; M223-L254 VanDerWaalsContact O-CD1 3.24Å; M223-L254 WeakPolarHBondContact O-CD1 3.46Å; V228-L254 HydrophobicContact CG2-CD2 4.25Å; W249-L254 HydrophobicContact CH2-CD1 4.32Å; W249-L254 HydrophobicContact CZ3-CB 4.06Å; W249-L254 HydrophobicContact CZ3-CD1 4.13Å; I250-L254 HydrophobicContact CB-CB 4.42Å; I250-L254 HydrophobicContact CG1-CD2 4.17Å; I250-L254 HydrophobicContact CG2-CB 4.23Å; I250-L254 HydrophobicContact CG2-CD2 3.95Å; I250-L254 WeakPolarHBondContact O-CB 3.47Å; I250-L254 PolarHBondContact O-N 3.24Å; L254-F256 HydrophobicContact CD1-CD1 4.46Å; L254-F256 HydrophobicContact CD1-CE1 3.66Å; L254-F256 HydrophobicContact CD1-CZ 4.04Å; L254-F256 HydrophobicContact CD2-CE1 4.1Å; L254-F256 HydrophobicContact CD2-CZ 3.62Å; L254-F256 HydrophobicContact CG-CE1 3.79Å; L254-F256 HydrophobicContact CG-CE2 4.39Å; L254-F256 HydrophobicContact CG-CZ 3.62Å; L254-F271 HydrophobicContact CD1-CE1 4.5Å; L254-K290 PolarHBondContact O-NZ 3.29Å
255	D	91.3	Very high	95.3	Very high	91 Å²	91	43.2 Å²	43.2	49%	0.487	22%	0.22	S	C	.	.			trans	-123	130.8	177.2	178.5	24.9	0	0	0	111.9	N253 S257	N253-D255 PolarHBondContact O-N 3.3Å; D255-S257 VanDerWaalsContact OD1-CB 3.25Å; D255-S257 WeakPolarHBondContact OD1-CB 3.46Å; D255-S257 PolarHBondContact OD1-N 2.92Å; D255-S257 PolarHBondContact OD1-OG 3.27Å; D255-S257 WeakPolarHBondContact OD2-CB 3.48Å
256	F	92.9	Very high	95.4	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.018	22%	0.22	C	C	.	.			trans	-97.1	4.8	179.7	-50.5	-58.8	0	0	0	113.2	L254 V258 K290 Q293 L294 K297 L315	L254-F256 HydrophobicContact CD1-CD1 4.46Å; L254-F256 HydrophobicContact CD1-CE1 3.66Å; L254-F256 HydrophobicContact CD1-CZ 4.04Å; L254-F256 HydrophobicContact CD2-CE1 4.1Å; L254-F256 HydrophobicContact CD2-CZ 3.62Å; L254-F256 HydrophobicContact CG-CE1 3.79Å; L254-F256 HydrophobicContact CG-CE2 4.39Å; L254-F256 HydrophobicContact CG-CZ 3.62Å; F256-V258 PolarHBondContact O-N 2.97Å; F256-K290 HydrophobicContact CE2-CB 4.28Å; F256-K290 HydrophobicContact CE2-CD 4.26Å; F256-K290 WeakPolarHBondContact CE2-O 3.44Å; F256-Q293 HydrophobicContact CD2-CB 4.16Å; F256-Q293 HydrophobicContact CE2-CB 4.4Å; F256-L294 HydrophobicContact CB-CD1 4.45Å; F256-L294 HydrophobicContact CD1-CD1 3.66Å; F256-L294 HydrophobicContact CD1-CD2 4.48Å; F256-L294 HydrophobicContact CD1-CG 4.44Å; F256-L294 HydrophobicContact CD2-CB 3.95Å; F256-L294 HydrophobicContact CD2-CD1 4.38Å; F256-L294 HydrophobicContact CE1-CB 4.26Å; F256-L294 HydrophobicContact CE1-CD1 3.88Å; F256-L294 HydrophobicContact CE1-CD2 3.84Å; F256-L294 HydrophobicContact CE1-CG 4.22Å; F256-L294 HydrophobicContact CE2-CB 3.69Å; F256-L294 HydrophobicContact CG-CB 4.34Å; F256-L294 HydrophobicContact CG-CD1 3.91Å; F256-L294 HydrophobicContact CZ-CB 3.84Å; F256-L294 HydrophobicContact CZ-CD1 4.34Å; F256-L294 HydrophobicContact CZ-CD2 3.88Å; F256-L294 HydrophobicContact CZ-CG 4.25Å; F256-K297 HydrophobicContact CB-CG 4.2Å; F256-L315 WeakPolarHBondContact O-CB 3.29Å
257	S	89.2	Confident	95.4	Very high	66 Å²	66	43.5 Å²	43.5	46%	0.462	22%	0.22	S	C	.	.			trans	-79.6	26.8	178.2	-51.1	0	0	0	0	113.4	D255	D255-S257 VanDerWaalsContact OD1-CB 3.25Å; D255-S257 WeakPolarHBondContact OD1-CB 3.46Å; D255-S257 PolarHBondContact OD1-N 2.92Å; D255-S257 PolarHBondContact OD1-OG 3.27Å; D255-S257 WeakPolarHBondContact OD2-CB 3.48Å
258	V	88	Confident	95.4	Very high	34 Å²	34	42.8 Å²	42.8	21%	0.206	22%	0.216	C	C	.	.			trans	-89.4	141.1	-175.5	-64.8	0	0	0	0	111.6	S221 F256 S260 L315 K316	S221-V258 WeakPolarHBondContact OG-CB 3.34Å; F256-V258 PolarHBondContact O-N 2.97Å; V258-S260 PolarHBondContact O-N 3.26Å; V258-L315 HydrophobicContact CG2-CB 4.48Å; V258-L315 HydrophobicContact CG2-CD1 3.9Å; V258-K316 WeakPolarHBondContact O-CB 3.47Å; V258-K316 PolarHBondContact O-N 3.44Å
259	N	91.9	Very high	95.4	Very high	112 Å²	112	36.1 Å²	36.1	60%	0.599	19%	0.192	S	C	*	.			trans	-81.9	65	174.1	-171.3	22.9	0	0	0	110.7	N314 K316	N259-N314 PolarHBondContact OD1-ND2 3.47Å; N259-N314 PolarHBondContact OD1-OD1 3.22Å; N259-K316 HydrophobicContact CB-CB 4.31Å; N259-K316 HydrophobicContact CB-CD 3.91Å
260	S	91.5	Very high	95.4	Very high	3 Å²	3	35.8 Å²	35.8	2%	0.021	19%	0.19	C	C	.	.			trans	-128.2	140.8	-174.3	-142.8	0	0	0	0	110	G219 S220 S221 V258 N314 L315	G219-S260 WeakPolarHBondContact CA-OG 3.3Å; S220-S260 PolarHBondContact N-OG 2.93Å; S221-S260 PolarHBondContact N-OG 2.83Å; S221-S260 VanDerWaalsContact OG-CB 3.29Å; S221-S260 WeakPolarHBondContact OG-CB 3.41Å; S221-S260 PolarHBondContact OG-OG 2.84Å; V258-S260 PolarHBondContact O-N 3.26Å; S260-N314 VanDerWaalsContact O-CA 3.29Å; S260-N314 WeakPolarHBondContact O-CA 3.27Å; S260-L315 PolarHBondContact O-N 2.93Å
261	E	93.6	Very high	95.5	Very high	50 Å²	50	35.8 Å²	35.8	23%	0.234	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	126.9	173.3	-162.4	-165.9	89.8	0	0	109.4	G219 M312 V313 R321	G219-E261 WeakPolarHBondContact CA-O 3.46Å; G219-E261 PolarHBondContact N-O 3.3Å; E261-M312 HydrophobicContact CB-CE 4.49Å; E261-M312 HydrophobicContact CG-CB 3.89Å; E261-M312 HydrophobicContact CG-CE 4.01Å; E261-M312 WeakPolarHBondContact OE1-CB 3.45Å; E261-M312 VanDerWaalsContact OE1-CE 3.29Å; E261-M312 WeakPolarHBondContact OE1-CE 3.13Å; E261-V313 WeakPolarHBondContact CA-O 3.5Å; E261-R321 VanDerWaalsContact CD-NE 3.31Å; E261-R321 VanDerWaalsContact CD-NH2 3.34Å; E261-R321 IonicContact OE1-CZ 3.69Å; E261-R321 IonicContact OE1-NE 3.04Å; E261-R321 PolarHBondContact OE1-NE 2.96Å; E261-R321 IonicContact OE1-NH1 2.71Å; E261-R321 IonicContact OE1-NH2 3.33Å; E261-R321 PolarHBondContact OE1-NH2 3.3Å; E261-R321 IonicContact OE2-CZ 3.8Å; E261-R321 IonicContact OE2-NE 3.53Å; E261-R321 PolarHBondContact OE2-NE 3.23Å; E261-R321 IonicContact OE2-NH2 3.04Å; E261-R321 PolarHBondContact OE2-NH2 3.17Å
262	V	96.4	Very high	95.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	152.3	-174.9	-54.4	0	0	0	0	110.8	M223 V264 V267 L298 M312 V313 L315	M223-V262 HydrophobicContact CE-CG1 3.96Å; V262-V264 PolarHBondContact O-N 3.33Å; V262-V267 HydrophobicContact CB-CG2 3.74Å; V262-V267 HydrophobicContact CG1-CG2 4.44Å; V262-V267 HydrophobicContact CG2-CB 4.48Å; V262-V267 HydrophobicContact CG2-CG2 3.82Å; V262-L298 HydrophobicContact CG2-CD2 4.37Å; V262-M312 CarbonylContact O-C 3.55Å; V262-M312 VanDerWaalsContact O-CA 3.25Å; V262-M312 WeakPolarHBondContact O-CA 3.34Å; V262-V313 HydrophobicContact CG2-CG1 4.2Å; V262-V313 PolarHBondContact N-O 2.65Å; V262-V313 PolarHBondContact O-N 3.35Å; V262-L315 HydrophobicContact CG1-CD1 3.91Å; V262-L315 HydrophobicContact CG1-CG 4.11Å; V262-L315 HydrophobicContact CG2-CD1 4.27Å; V262-L315 HydrophobicContact CG2-CD2 3.71Å; V262-L315 HydrophobicContact CG2-CG 3.87Å
263	S	98	Very high	95.7	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.007	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	124	169.9	170.4	0	0	0	0	109.4	I217 F265 E266 V267 M312	I217-S263 PolarHBondContact O-N 3.03Å; S263-F265 VanDerWaalsContact C-N 3.3Å; S263-F265 PolarHBondContact O-N 3.38Å; S263-E266 WeakPolarHBondContact OG-CG 3.19Å; S263-E266 PolarHBondContact OG-N 3.23Å; S263-V267 VanDerWaalsContact O-CB 3.3Å; S263-V267 WeakPolarHBondContact O-CB 3.12Å; S263-V267 VanDerWaalsContact O-CG2 3.3Å; S263-V267 WeakPolarHBondContact O-CG2 3.45Å; S263-V267 PolarHBondContact O-N 2.9Å; S263-M312 WeakPolarHBondContact CA-SD 3.38Å; S263-M312 PolarHBondContact N-SD 3.27Å; S263-M312 VanDerWaalsContact N-SD 3.44Å
264	V	98.4	Very high	95.8	Very high	4 Å²	4	21.2 Å²	21.2	2%	0.024	12%	0.115	C	C	.	.	H	α-helix	trans	-63.6	-41.5	179.7	176.7	0	0	0	0	110.2	V262 N268 L298 A301 W310 A311 V313 L339	V262-V264 PolarHBondContact O-N 3.33Å; V264-N268 WeakPolarHBondContact O-CB 3.43Å; V264-N268 PolarHBondContact O-N 3.43Å; V264-L298 HydrophobicContact CG1-CD1 4.47Å; V264-A301 HydrophobicContact CG1-CB 4.3Å; V264-A301 HydrophobicContact CG2-CB 3.57Å; V264-W310 WeakPolarHBondContact CG2-O 3.46Å; V264-A311 PolarHBondContact N-O 3.04Å; V264-V313 HydrophobicContact CG2-CB 4.03Å; V264-V313 HydrophobicContact CG2-CG1 3.68Å; V264-L339 HydrophobicContact CG1-CD1 4.35Å; V264-L339 HydrophobicContact CG1-CD2 4.31Å
265	F	98.7	Very high	96	Very high	26 Å²	26	21.1 Å²	21.1	11%	0.114	11%	0.114	C	C	.	.	H	α-helix	trans	-63.7	-54.3	177.8	166.2	-111	0	0	0	111.8	S263 V267 N268 I269 E335 T338 T619	S263-F265 VanDerWaalsContact C-N 3.3Å; S263-F265 PolarHBondContact O-N 3.38Å; F265-V267 VanDerWaalsContact C-N 3.34Å; F265-V267 PolarHBondContact O-N 3.34Å; F265-N268 WeakPolarHBondContact O-CB 3.36Å; F265-N268 PolarHBondContact O-N 3.06Å; F265-N268 VanDerWaalsContact O-N 3.12Å; F265-I269 HydrophobicContact CD1-CD1 4.25Å; F265-I269 HydrophobicContact CD2-CD1 4.3Å; F265-I269 HydrophobicContact CD2-CG2 3.95Å; F265-I269 HydrophobicContact CE1-CD1 3.7Å; F265-I269 HydrophobicContact CE2-CD1 3.76Å; F265-I269 HydrophobicContact CE2-CG2 3.78Å; F265-I269 HydrophobicContact CZ-CD1 3.45Å; F265-I269 VanDerWaalsContact CZ-CD1 3.45Å; F265-I269 WeakPolarHBondContact O-CG2 3.46Å; F265-I269 PolarHBondContact O-N 3.37Å; F265-E335 HydrophobicContact CB-CB 3.7Å; F265-E335 HydrophobicContact CB-CG 3.78Å; F265-E335 HydrophobicContact CD1-CG 4.02Å; F265-E335 HydrophobicContact CG-CB 4.08Å; F265-E335 HydrophobicContact CG-CG 3.93Å; F265-T338 HydrophobicContact CE2-CG2 3.82Å; F265-T619 HydrophobicContact CE2-CG2 4.43Å
266	E	98.3	Very high	96.4	Very high	35 Å²	35	16.8 Å²	16.8	16%	0.164	9%	0.091	C	C	.	.	H	α-helix	trans	-64.3	-40.7	-176	-63.5	-74.1	-179.8	0	0	111.5	I217 F218 S263 N268 R270	I217-E266 HydrophobicContact CB-CG 4.14Å; I217-E266 HydrophobicContact CD1-CB 4.28Å; I217-E266 HydrophobicContact CD1-CG 3.91Å; I217-E266 HydrophobicContact CG2-CG 4.48Å; F218-E266 HydrophobicContact CE1-CB 4.08Å; S263-E266 WeakPolarHBondContact OG-CG 3.19Å; S263-E266 PolarHBondContact OG-N 3.23Å; E266-N268 VanDerWaalsContact C-N 3.33Å; E266-R270 WeakPolarHBondContact O-CB 3.17Å; E266-R270 VanDerWaalsContact O-CG 3.29Å; E266-R270 WeakPolarHBondContact O-CG 3.33Å; E266-R270 PolarHBondContact O-N 2.96Å; E266-R270 VanDerWaalsContact O-N 3.16Å; E266-R270 IonicContact OE2-CZ 2.76Å; E266-R270 VanDerWaalsContact OE2-CZ 3.26Å; E266-R270 IonicContact OE2-NE 3.67Å; E266-R270 PolarHBondContact OE2-NE 3.08Å; E266-R270 IonicContact OE2-NH2 3.45Å; E266-R270 PolarHBondContact OE2-NH2 2.81Å
267	V	97.9	Very high	96.6	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.09	C	C	.	.	I	π-helix	trans	-69.9	-32.9	177.2	173.3	0	0	0	0	111.7	F218 M223 V262 S263 F265 F271 I272 L294 L298	F218-V267 HydrophobicContact CD1-CG2 4.28Å; M223-V267 HydrophobicContact CE-CG2 4.35Å; V262-V267 HydrophobicContact CB-CG2 3.74Å; V262-V267 HydrophobicContact CG1-CG2 4.44Å; V262-V267 HydrophobicContact CG2-CB 4.48Å; V262-V267 HydrophobicContact CG2-CG2 3.82Å; S263-V267 VanDerWaalsContact O-CB 3.3Å; S263-V267 WeakPolarHBondContact O-CB 3.12Å; S263-V267 VanDerWaalsContact O-CG2 3.3Å; S263-V267 WeakPolarHBondContact O-CG2 3.45Å; S263-V267 PolarHBondContact O-N 2.9Å; F265-V267 VanDerWaalsContact C-N 3.34Å; F265-V267 PolarHBondContact O-N 3.34Å; V267-F271 HydrophobicContact CG1-CB 4.34Å; V267-F271 HydrophobicContact CG1-CD2 4.41Å; V267-F271 HydrophobicContact CG2-CD2 4.45Å; V267-F271 VanDerWaalsContact O-CB 3.31Å; V267-F271 WeakPolarHBondContact O-CB 3.25Å; V267-F271 PolarHBondContact O-N 3.41Å; V267-F271 VanDerWaalsContact O-N 3.09Å; V267-I272 PolarHBondContact O-N 2.93Å; V267-L294 HydrophobicContact CG1-CD1 3.74Å; V267-L294 HydrophobicContact CG1-CD2 3.62Å; V267-L294 HydrophobicContact CG1-CG 3.88Å; V267-L298 HydrophobicContact CG1-CD1 4.18Å; V267-L298 HydrophobicContact CG1-CD2 4.32Å
268	N	98.8	Very high	97.1	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.068	C	C	.	.	I	π-helix	trans	-66	-55.9	175.6	177.5	80.6	0	0	0	111.8	V264 F265 E266 R270 I272 G273 T338 L339 E342 F343	V264-N268 WeakPolarHBondContact O-CB 3.43Å; V264-N268 PolarHBondContact O-N 3.43Å; F265-N268 WeakPolarHBondContact O-CB 3.36Å; F265-N268 PolarHBondContact O-N 3.06Å; F265-N268 VanDerWaalsContact O-N 3.12Å; E266-N268 VanDerWaalsContact C-N 3.33Å; N268-R270 PolarHBondContact O-N 3.39Å; N268-I272 WeakPolarHBondContact O-CB 3.32Å; N268-I272 PolarHBondContact O-N 3.39Å; N268-G273 PolarHBondContact O-N 3.23Å; N268-T338 PolarHBondContact ND2-O 2.8Å; N268-L339 HydrophobicContact CB-CD2 3.59Å; N268-E342 PolarHBondContact ND2-OE2 3.1Å; N268-E342 WeakPolarHBondContact OD1-CB 3.45Å; N268-F343 WeakPolarHBondContact OD1-CD2 3.28Å; N268-F343 VanDerWaalsContact OD1-CE2 3.32Å; N268-F343 WeakPolarHBondContact OD1-CE2 3.31Å
269	I	98.8	Very high	97.5	Very high	2 Å²	2	12 Å²	12	1%	0.01	6%	0.059	C	C	.	.	I	π-helix	trans	-70.1	-35.5	-171.3	70	-171.5	0	0	0	111.7	F265 T338 N618 T619 E620 H622	F265-I269 HydrophobicContact CD1-CD1 4.25Å; F265-I269 HydrophobicContact CD2-CD1 4.3Å; F265-I269 HydrophobicContact CD2-CG2 3.95Å; F265-I269 HydrophobicContact CE1-CD1 3.7Å; F265-I269 HydrophobicContact CE2-CD1 3.76Å; F265-I269 HydrophobicContact CE2-CG2 3.78Å; F265-I269 HydrophobicContact CZ-CD1 3.45Å; F265-I269 VanDerWaalsContact CZ-CD1 3.45Å; F265-I269 WeakPolarHBondContact O-CG2 3.46Å; F265-I269 PolarHBondContact O-N 3.37Å; I269-T338 HydrophobicContact CG2-CG2 4.12Å; I269-N618 PolarHBondContact O-ND2 2.88Å; I269-T619 HydrophobicContact CB-CG2 3.67Å; I269-T619 HydrophobicContact CD1-CG2 3.85Å; I269-T619 HydrophobicContact CG1-CG2 4.27Å; I269-T619 HydrophobicContact CG2-CG2 3.43Å; I269-T619 VanDerWaalsContact CG2-CG2 3.43Å; I269-E620 HydrophobicContact CB-CB 4.36Å; I269-E620 VanDerWaalsContact CD1-OE2 3.23Å; I269-E620 WeakPolarHBondContact CD1-OE2 3.44Å; I269-E620 HydrophobicContact CG1-CB 4.31Å; I269-H622 PolarHBondContact O-CD2 2.93Å
270	R	98.6	Very high	97.7	Very high	14 Å²	14	6.7 Å²	6.7	5%	0.053	3%	0.031	C	C	.	.	I	π-helix	trans	-85.4	-62.4	-178.5	-64.9	-178.8	-161.8	-85.4	-20.5	112.5	D229 E266 N268 G274 S590 E620 H622	D229-R270 VanDerWaalsContact OD1-CA 3.29Å; D229-R270 WeakPolarHBondContact OD1-CA 3.45Å; D229-R270 WeakPolarHBondContact OD1-CB 3.3Å; D229-R270 IonicContact OD2-NH1 2.84Å; E266-R270 WeakPolarHBondContact O-CB 3.17Å; E266-R270 VanDerWaalsContact O-CG 3.29Å; E266-R270 WeakPolarHBondContact O-CG 3.33Å; E266-R270 PolarHBondContact O-N 2.96Å; E266-R270 VanDerWaalsContact O-N 3.16Å; E266-R270 IonicContact OE2-CZ 2.76Å; E266-R270 VanDerWaalsContact OE2-CZ 3.26Å; E266-R270 IonicContact OE2-NE 3.67Å; E266-R270 PolarHBondContact OE2-NE 3.08Å; E266-R270 IonicContact OE2-NH2 3.45Å; E266-R270 PolarHBondContact OE2-NH2 2.81Å; N268-R270 PolarHBondContact O-N 3.39Å; R270-G274 WeakPolarHBondContact O-CA 3.45Å; R270-G274 PolarHBondContact O-N 3.36Å; R270-S590 PolarHBondContact NH1-OG 3.22Å; R270-E620 HydrophobicContact CG-CG 3.94Å; R270-E620 IonicContact CZ-OE1 2.94Å; R270-E620 IonicContact CZ-OE2 2.92Å; R270-E620 IonicContact NE-OE1 3.35Å; R270-E620 IonicContact NH1-OE1 3.19Å; R270-E620 PolarHBondContact NH1-OE1 2.98Å; R270-E620 IonicContact NH2-OE1 3.75Å; R270-E620 PolarHBondContact NH2-OE1 3.25Å; R270-E620 VanDerWaalsContact NH2-OE1 3.13Å; R270-E620 IonicContact NH2-OE2 2.65Å; R270-H622 PolarHBondContact O-NE2 3.37Å
271	F	98.6	Very high	97.9	Very high	1 Å²	1	6.7 Å²	6.7	0%	0.004	3%	0.031	C	C	.	.	I	π-helix	trans	-77.1	-52.5	-172.8	-72.1	-101.1	0	0	0	112.5	F218 M223 A225 V228 L254 V267 L275 L294	F218-F271 AromaticContact CD1-CE2 3.78Å; F218-F271 HydrophobicContact CD1-CE2 3.78Å; F218-F271 HydrophobicContact CE1-CD2 4.49Å; F218-F271 AromaticContact CE1-CE2 3.84Å; F218-F271 HydrophobicContact CE1-CE2 3.84Å; F218-F271 HydrophobicContact CG-CE2 4.46Å; M223-F271 HydrophobicContact CB-CE1 3.73Å; M223-F271 HydrophobicContact CB-CZ 3.62Å; M223-F271 HydrophobicContact CE-CE2 4.25Å; M223-F271 HydrophobicContact CE-CZ 4.12Å; M223-F271 VanDerWaalsContact O-CE1 3.32Å; M223-F271 WeakPolarHBondContact O-CE1 3.44Å; A225-F271 VanDerWaalsContact CA-CZ 3.42Å; A225-F271 HydrophobicContact CB-CE2 3.74Å; A225-F271 HydrophobicContact CB-CZ 3.57Å; V228-F271 HydrophobicContact CB-CD1 4.2Å; V228-F271 HydrophobicContact CB-CE1 4.46Å; V228-F271 HydrophobicContact CG1-CD1 4.29Å; V228-F271 HydrophobicContact CG2-CD1 3.87Å; V228-F271 HydrophobicContact CG2-CE1 3.99Å; L254-F271 HydrophobicContact CD1-CE1 4.5Å; V267-F271 HydrophobicContact CG1-CB 4.34Å; V267-F271 HydrophobicContact CG1-CD2 4.41Å; V267-F271 HydrophobicContact CG2-CD2 4.45Å; V267-F271 VanDerWaalsContact O-CB 3.31Å; V267-F271 WeakPolarHBondContact O-CB 3.25Å; V267-F271 PolarHBondContact O-N 3.41Å; V267-F271 VanDerWaalsContact O-N 3.09Å; F271-L275 VanDerWaalsContact O-CB 3.22Å; F271-L275 WeakPolarHBondContact O-CB 3.4Å; F271-L275 WeakPolarHBondContact O-CD1 3.49Å; F271-L275 WeakPolarHBondContact O-CG 3.32Å; F271-L275 PolarHBondContact O-N 2.91Å; F271-L294 HydrophobicContact CB-CD2 3.4Å; F271-L294 HydrophobicContact CG-CD2 4.19Å
272	I	98.8	Very high	98	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.029	C	C	.	.	I	π-helix	trans	-67	-45.6	179.7	-59.1	178.2	0	0	0	109.1	V267 N268 L276 L294 A295 L298 E342 L346	V267-I272 PolarHBondContact O-N 2.93Å; N268-I272 WeakPolarHBondContact O-CB 3.32Å; N268-I272 PolarHBondContact O-N 3.39Å; I272-L276 HydrophobicContact CG2-CD1 3.81Å; I272-L276 HydrophobicContact CG2-CG 4.22Å; I272-L276 WeakPolarHBondContact O-CB 3.46Å; I272-L276 WeakPolarHBondContact O-CG 3.21Å; I272-L276 PolarHBondContact O-N 2.9Å; I272-L294 HydrophobicContact CD1-CG 4.38Å; I272-L294 HydrophobicContact CG1-CB 4.39Å; I272-L294 HydrophobicContact CG1-CD2 3.89Å; I272-L294 HydrophobicContact CG1-CG 4.06Å; I272-A295 HydrophobicContact CD1-CB 3.97Å; I272-L298 HydrophobicContact CD1-CD1 3.7Å; I272-E342 HydrophobicContact CB-CB 4.49Å; I272-E342 HydrophobicContact CG2-CB 3.85Å; I272-E342 HydrophobicContact CG2-CG 4.36Å; I272-L346 HydrophobicContact CD1-CD1 4.41Å; I272-L346 HydrophobicContact CG2-CD1 3.83Å; I272-L346 HydrophobicContact CG2-CD2 4.43Å; I272-L346 HydrophobicContact CG2-CG 4.23Å
273	G	98.8	Very high	97.8	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-54.4	-54.5	173.9	0	0	0	0	0	113.2	N268 L275 L276 A277	N268-G273 PolarHBondContact O-N 3.23Å; G273-L275 PolarHBondContact O-N 3.31Å; G273-L276 PolarHBondContact O-N 3.5Å; G273-A277 PolarHBondContact O-N 2.88Å
274	G	98.8	Very high	97.6	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-64.7	-40.1	-178.6	0	0	0	0	0	113.9	R270 A277 A278 H622	R270-G274 WeakPolarHBondContact O-CA 3.45Å; R270-G274 PolarHBondContact O-N 3.36Å; G274-A277 PolarHBondContact O-N 2.96Å; G274-A278 VanDerWaalsContact O-CB 3.27Å; G274-A278 WeakPolarHBondContact O-CB 3.47Å; G274-A278 PolarHBondContact O-N 2.94Å; G274-H622 WeakPolarHBondContact CA-ND1 3.39Å; G274-H622 PolarHBondContact N-CD2 2.83Å; G274-H622 VanDerWaalsContact N-CD2 3.26Å
275	L	98.9	Very high	97.3	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-66.5	-39.4	174.1	-69.3	168.4	0	0	0	111.8	V228 I250 F271 G273 Y279 F287 K290 A291	V228-L275 HydrophobicContact CG1-CD2 4.18Å; V228-L275 HydrophobicContact CG1-CG 3.84Å; I250-L275 HydrophobicContact CD1-CD2 4.19Å; I250-L275 HydrophobicContact CG2-CD2 4.44Å; F271-L275 VanDerWaalsContact O-CB 3.22Å; F271-L275 WeakPolarHBondContact O-CB 3.4Å; F271-L275 WeakPolarHBondContact O-CD1 3.49Å; F271-L275 WeakPolarHBondContact O-CG 3.32Å; F271-L275 PolarHBondContact O-N 2.91Å; G273-L275 PolarHBondContact O-N 3.31Å; L275-Y279 WeakPolarHBondContact O-CB 3.41Å; L275-Y279 PolarHBondContact O-N 3.48Å; L275-F287 HydrophobicContact CB-CB 4.46Å; L275-F287 HydrophobicContact CD2-CB 4.27Å; L275-F287 HydrophobicContact CD2-CD1 3.84Å; L275-F287 VanDerWaalsContact O-CB 3.26Å; L275-F287 WeakPolarHBondContact O-CB 3.31Å; L275-K290 HydrophobicContact CD1-CB 3.81Å; L275-K290 HydrophobicContact CD2-CB 4.22Å; L275-A291 HydrophobicContact CB-CB 3.87Å; L275-A291 HydrophobicContact CD1-CB 4.34Å
276	L	98.6	Very high	97.2	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-65.3	-45.6	175.4	-72.8	174	0	0	0	111.4	I272 G273 Y279 Y280 A291 E342 H345 L349 L624	I272-L276 HydrophobicContact CG2-CD1 3.81Å; I272-L276 HydrophobicContact CG2-CG 4.22Å; I272-L276 WeakPolarHBondContact O-CB 3.46Å; I272-L276 WeakPolarHBondContact O-CG 3.21Å; I272-L276 PolarHBondContact O-N 2.9Å; G273-L276 PolarHBondContact O-N 3.5Å; L276-Y279 WeakPolarHBondContact O-CB 3.31Å; L276-Y279 PolarHBondContact O-N 2.93Å; L276-Y280 HydrophobicContact CB-CE2 4.37Å; L276-Y280 WeakPolarHBondContact O-CD2 3.48Å; L276-Y280 PolarHBondContact O-N 2.91Å; L276-A291 HydrophobicContact CD2-CB 4.24Å; L276-A291 HydrophobicContact CG-CB 4.33Å; L276-E342 HydrophobicContact CD1-CB 4.22Å; L276-H345 HydrophobicContact CD1-CB 3.88Å; L276-L349 HydrophobicContact CD2-CD1 3.53Å; L276-L624 HydrophobicContact CB-CD2 3.67Å; L276-L624 HydrophobicContact CD1-CD2 4.48Å
277	A	98.5	Very high	97.1	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-62.4	-44.9	176.4	0	0	0	0	0	111.9	D232 G273 G274 Y279 Y280 L281 H622 P623	D232-A277 HydrophobicContact CB-CB 4.03Å; G273-A277 PolarHBondContact O-N 2.88Å; G274-A277 PolarHBondContact O-N 2.96Å; A277-Y279 VanDerWaalsContact C-N 3.31Å; A277-Y279 PolarHBondContact O-N 3.44Å; A277-Y280 PolarHBondContact O-N 3.31Å; A277-L281 WeakPolarHBondContact O-CB 3.37Å; A277-L281 VanDerWaalsContact O-CG 3.3Å; A277-L281 WeakPolarHBondContact O-CG 3.38Å; A277-L281 PolarHBondContact O-N 2.76Å; A277-H622 HydrophobicContact CB-CB 3.81Å; A277-P623 HydrophobicContact CB-CG 4.38Å
278	A	98.3	Very high	97	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-59.2	-41.8	174.9	0	0	0	0	0	111.9	L231 F243 G274 S282 F287	L231-A278 HydrophobicContact CB-CB 4.04Å; L231-A278 HydrophobicContact CD1-CB 3.73Å; F243-A278 HydrophobicContact CE2-CB 4.44Å; G274-A278 VanDerWaalsContact O-CB 3.27Å; G274-A278 WeakPolarHBondContact O-CB 3.47Å; G274-A278 PolarHBondContact O-N 2.94Å; A278-S282 WeakPolarHBondContact O-CB 3.35Å; A278-S282 PolarHBondContact O-N 3.28Å; A278-S282 PolarHBondContact O-OG 3.45Å; A278-F287 HydrophobicContact CB-CB 4.34Å; A278-F287 HydrophobicContact CB-CD1 4.1Å; A278-F287 HydrophobicContact CB-CD2 3.78Å; A278-F287 HydrophobicContact CB-CE1 4.32Å; A278-F287 HydrophobicContact CB-CE2 4.02Å; A278-F287 HydrophobicContact CB-CG 3.82Å; A278-F287 HydrophobicContact CB-CZ 4.26Å
279	Y	97.6	Very high	96.9	Very high	3 Å²	3	17.1 Å²	17.1	1%	0.012	9%	0.094	C	C	.	.	H	α-helix	trans	-59.3	-52.1	173.8	173.1	-114	0	0	0	111.9	L275 L276 A277 L281 G283 E284 E285 K288 L349	L275-Y279 WeakPolarHBondContact O-CB 3.41Å; L275-Y279 PolarHBondContact O-N 3.48Å; L276-Y279 WeakPolarHBondContact O-CB 3.31Å; L276-Y279 PolarHBondContact O-N 2.93Å; A277-Y279 VanDerWaalsContact C-N 3.31Å; A277-Y279 PolarHBondContact O-N 3.44Å; Y279-L281 VanDerWaalsContact C-N 3.35Å; Y279-L281 PolarHBondContact O-N 3.5Å; Y279-G283 VanDerWaalsContact O-CA 3.31Å; Y279-G283 WeakPolarHBondContact O-CA 3.49Å; Y279-G283 PolarHBondContact O-N 2.94Å; Y279-E284 WeakPolarHBondContact CD2-O 3.42Å; Y279-E285 HydrophobicContact CE2-CG 4.44Å; Y279-E285 WeakPolarHBondContact CE2-OE1 3.5Å; Y279-E285 PolarHBondContact OH-OE1 2.97Å; Y279-K288 HydrophobicContact CD1-CB 4.16Å; Y279-K288 HydrophobicContact CD1-CD 4.47Å; Y279-K288 HydrophobicContact CD2-CB 3.68Å; Y279-K288 HydrophobicContact CE1-CB 4.36Å; Y279-K288 HydrophobicContact CE1-CD 3.89Å; Y279-K288 HydrophobicContact CE2-CB 3.9Å; Y279-K288 HydrophobicContact CE2-CD 3.93Å; Y279-K288 HydrophobicContact CG-CB 3.79Å; Y279-L349 HydrophobicContact CD1-CD1 3.94Å; Y279-L349 HydrophobicContact CD1-CD2 4.44Å; Y279-L349 HydrophobicContact CE1-CD1 3.97Å; Y279-L349 HydrophobicContact CE1-CD2 3.7Å; Y279-L349 HydrophobicContact CE1-CG 4.5Å
280	Y	96.6	Very high	96.9	Very high	1 Å²	1	18.3 Å²	18.3	0%	0.004	10%	0.099	C	C	.	.	H	α-helix	trans	-63.5	-41.4	-178.6	-71.6	-61.1	0	0	0	111.6	I161 L164 L276 A277 H345 L349 L624 P625	I161-Y280 HydrophobicContact CG2-CD1 4.38Å; L164-Y280 WeakPolarHBondContact CD1-O 3.48Å; L276-Y280 HydrophobicContact CB-CE2 4.37Å; L276-Y280 WeakPolarHBondContact O-CD2 3.48Å; L276-Y280 PolarHBondContact O-N 2.91Å; A277-Y280 PolarHBondContact O-N 3.31Å; Y280-H345 AromaticContact CE2-ND1 3.59Å; Y280-H345 AromaticContact CZ-ND1 3.48Å; Y280-H345 PolarHBondContact OH-ND1 3.3Å; Y280-L349 HydrophobicContact CE1-CD2 4.13Å; Y280-L349 WeakPolarHBondContact OH-CD1 3.29Å; Y280-L349 WeakPolarHBondContact OH-CD2 3.25Å; Y280-L349 WeakPolarHBondContact OH-CG 3.47Å; Y280-L624 HydrophobicContact CD2-CD2 4.23Å; Y280-L624 HydrophobicContact CE2-CD2 4.23Å; Y280-P625 HydrophobicContact CD1-CG 3.69Å; Y280-P625 HydrophobicContact CD2-CG 3.91Å; Y280-P625 HydrophobicContact CE1-CG 3.7Å; Y280-P625 HydrophobicContact CE2-CG 3.95Å; Y280-P625 HydrophobicContact CG-CG 3.81Å
281	L	95.3	Very high	96.9	Very high	4 Å²	4	17.7 Å²	17.7	2%	0.021	10%	0.096	C	C	.	.	H	α-helix	trans	-70.6	-38.5	-178.1	-68.7	174.3	0	0	0	113.6	I167 D232 Y235 I236 A277 Y279 L610 W615 P623	I167-L281 HydrophobicContact CB-CD2 4.16Å; I167-L281 HydrophobicContact CG2-CD2 3.8Å; D232-L281 HydrophobicContact CB-CD1 3.55Å; Y235-L281 HydrophobicContact CD1-CB 3.77Å; Y235-L281 HydrophobicContact CD1-CD1 4.27Å; Y235-L281 HydrophobicContact CD1-CG 4.44Å; Y235-L281 HydrophobicContact CE1-CB 3.9Å; Y235-L281 WeakPolarHBondContact CE1-O 3.43Å; Y235-L281 HydrophobicContact CG-CB 4.21Å; Y235-L281 PolarHBondContact OH-O 2.93Å; I236-L281 HydrophobicContact CG2-CD1 4.07Å; A277-L281 WeakPolarHBondContact O-CB 3.37Å; A277-L281 VanDerWaalsContact O-CG 3.3Å; A277-L281 WeakPolarHBondContact O-CG 3.38Å; A277-L281 PolarHBondContact O-N 2.76Å; Y279-L281 VanDerWaalsContact C-N 3.35Å; Y279-L281 PolarHBondContact O-N 3.5Å; L281-L610 HydrophobicContact CD2-CD2 4.2Å; L281-W615 HydrophobicContact CD2-CH2 4.02Å; L281-W615 HydrophobicContact CD2-CZ2 4.44Å; L281-P623 HydrophobicContact CD1-CG 4.42Å
282	S	94.6	Very high	96.8	Very high	27 Å²	27	18.3 Å²	18.3	19%	0.189	10%	0.1	C	C	.	.	H	α-helix	trans	-101.5	-24.9	-172.3	67.3	0	0	0	0	114.9	A278 E284 F287	A278-S282 WeakPolarHBondContact O-CB 3.35Å; A278-S282 PolarHBondContact O-N 3.28Å; A278-S282 PolarHBondContact O-OG 3.45Å; S282-E284 PolarHBondContact O-N 3.38Å; S282-E284 WeakPolarHBondContact OG-CB 3.36Å; S282-E284 PolarHBondContact OG-N 3.37Å; S282-F287 WeakPolarHBondContact OG-CE2 3.47Å
283	G	92	Very high	96.7	Very high	34 Å²	34	22.3 Å²	22.3	35%	0.351	12%	0.119	S	C	.	.			trans	76.4	3.4	-170.2	0	0	0	0	0	114.9	Y279 E285	Y279-G283 VanDerWaalsContact O-CA 3.31Å; Y279-G283 WeakPolarHBondContact O-CA 3.49Å; Y279-G283 PolarHBondContact O-N 2.94Å; G283-E285 PolarHBondContact O-N 2.95Å
284	E	93.7	Very high	96.7	Very high	85 Å²	85	22.4 Å²	22.4	40%	0.397	12%	0.119	S	C	.	.			trans	-78.1	111.7	-175.6	-66.5	-69.1	171.7	0	0	112	Y279 S282 I286 F287	Y279-E284 WeakPolarHBondContact CD2-O 3.42Å; S282-E284 PolarHBondContact O-N 3.38Å; S282-E284 WeakPolarHBondContact OG-CB 3.36Å; S282-E284 PolarHBondContact OG-N 3.37Å; E284-I286 HydrophobicContact CB-CG2 4.34Å; E284-I286 PolarHBondContact O-N 3.25Å; E284-I286 VanDerWaalsContact O-N 3.08Å; E284-F287 HydrophobicContact CB-CD2 3.72Å; E284-F287 HydrophobicContact CB-CE2 3.63Å; E284-F287 HydrophobicContact CG-CE2 4.27Å; E284-F287 WeakPolarHBondContact O-CD2 3.46Å; E284-F287 PolarHBondContact O-N 3.49Å
285	E	93.4	Very high	96.6	Very high	81 Å²	81	22.4 Å²	22.4	38%	0.379	12%	0.119	S	C	.	.	H	α-helix	trans	-61.6	-22.1	-172.5	-76.1	-71.9	137.2	0	0	114	Y279 G283 F287 K288 I289	Y279-E285 HydrophobicContact CE2-CG 4.44Å; Y279-E285 WeakPolarHBondContact CE2-OE1 3.5Å; Y279-E285 PolarHBondContact OH-OE1 2.97Å; G283-E285 PolarHBondContact O-N 2.95Å; E285-F287 PolarHBondContact O-N 2.94Å; E285-K288 PolarHBondContact O-N 3.43Å; E285-K288 IonicContact OE1-NZ 3.7Å; E285-K288 WeakPolarHBondContact OE2-CD 3.41Å; E285-K288 IonicContact OE2-NZ 3.81Å; E285-K288 PolarHBondContact OE2-NZ 3.09Å; E285-I289 VanDerWaalsContact O-CG1 3.31Å; E285-I289 WeakPolarHBondContact O-CG1 3.41Å; E285-I289 PolarHBondContact O-N 2.94Å
286	I	95.6	Very high	96.5	Very high	35 Å²	35	26 Å²	26	18%	0.179	14%	0.137	C	C	.	.	H	α-helix	trans	-55.7	-40.2	177.4	-176.1	66	0	0	0	111.8	Q247 I250 E251 E284 I289 K290	Q247-I286 HydrophobicContact CG-CG2 4.28Å; I250-I286 HydrophobicContact CG2-CG1 4.4Å; E251-I286 HydrophobicContact CG-CB 4.22Å; E251-I286 HydrophobicContact CG-CD1 4.17Å; E251-I286 HydrophobicContact CG-CG1 3.65Å; E251-I286 HydrophobicContact CG-CG2 4.21Å; E284-I286 HydrophobicContact CB-CG2 4.34Å; E284-I286 PolarHBondContact O-N 3.25Å; E284-I286 VanDerWaalsContact O-N 3.08Å; I286-I289 PolarHBondContact O-N 3.49Å; I286-K290 HydrophobicContact CD1-CG 4.15Å; I286-K290 HydrophobicContact CG1-CG 4.22Å; I286-K290 VanDerWaalsContact O-CG 3.31Å; I286-K290 WeakPolarHBondContact O-CG 3.44Å; I286-K290 PolarHBondContact O-N 3.49Å
287	F	97.9	Very high	96.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-67	-43.6	-177.4	-57.1	-58	0	0	0	111.2	L231 F243 Q247 I250 L275 A278 S282 E284 E285 I289 K290 A291	L231-F287 HydrophobicContact CD1-CD1 4Å; L231-F287 HydrophobicContact CD1-CE1 3.44Å; L231-F287 VanDerWaalsContact CD1-CE1 3.44Å; L231-F287 HydrophobicContact CD1-CZ 3.96Å; F243-F287 HydrophobicContact CE1-CE2 4.29Å; F243-F287 HydrophobicContact CE1-CZ 4.3Å; F243-F287 HydrophobicContact CE2-CE2 4.4Å; F243-F287 HydrophobicContact CE2-CZ 4.28Å; F243-F287 AromaticContact CZ-CE2 3.6Å; F243-F287 HydrophobicContact CZ-CE2 3.6Å; F243-F287 AromaticContact CZ-CZ 3.71Å; F243-F287 HydrophobicContact CZ-CZ 3.71Å; Q247-F287 HydrophobicContact CB-CE1 4.33Å; Q247-F287 HydrophobicContact CB-CZ 3.81Å; Q247-F287 HydrophobicContact CG-CE1 4.21Å; Q247-F287 HydrophobicContact CG-CE2 4.39Å; Q247-F287 HydrophobicContact CG-CZ 3.67Å; I250-F287 HydrophobicContact CD1-CD1 4.25Å; I250-F287 HydrophobicContact CD1-CE1 3.86Å; L275-F287 HydrophobicContact CB-CB 4.46Å; L275-F287 HydrophobicContact CD2-CB 4.27Å; L275-F287 HydrophobicContact CD2-CD1 3.84Å; L275-F287 VanDerWaalsContact O-CB 3.26Å; L275-F287 WeakPolarHBondContact O-CB 3.31Å; A278-F287 HydrophobicContact CB-CB 4.34Å; A278-F287 HydrophobicContact CB-CD1 4.1Å; A278-F287 HydrophobicContact CB-CD2 3.78Å; A278-F287 HydrophobicContact CB-CE1 4.32Å; A278-F287 HydrophobicContact CB-CE2 4.02Å; A278-F287 HydrophobicContact CB-CG 3.82Å; A278-F287 HydrophobicContact CB-CZ 4.26Å; S282-F287 WeakPolarHBondContact OG-CE2 3.47Å; E284-F287 HydrophobicContact CB-CD2 3.72Å; E284-F287 HydrophobicContact CB-CE2 3.63Å; E284-F287 HydrophobicContact CG-CE2 4.27Å; E284-F287 WeakPolarHBondContact O-CD2 3.46Å; E284-F287 PolarHBondContact O-N 3.49Å; E285-F287 PolarHBondContact O-N 2.94Å; F287-I289 PolarHBondContact O-N 3.43Å; F287-K290 PolarHBondContact O-N 3.16Å; F287-A291 WeakPolarHBondContact O-CB 3.28Å; F287-A291 PolarHBondContact O-N 3.45Å
288	K	95.8	Very high	96.5	Very high	3 Å²	3	29.3 Å²	29.3	1%	0.013	15%	0.151	C	C	.	.	H	α-helix	trans	-59.9	-44.6	172.7	169.4	177.6	156.7	-153.3	0	111.8	L156 Y279 E285 K290 A291 V292 L349	L156-K288 HydrophobicContact CD1-CD 4.43Å; L156-K288 HydrophobicContact CD1-CG 4.06Å; Y279-K288 HydrophobicContact CD1-CB 4.16Å; Y279-K288 HydrophobicContact CD1-CD 4.47Å; Y279-K288 HydrophobicContact CD2-CB 3.68Å; Y279-K288 HydrophobicContact CE1-CB 4.36Å; Y279-K288 HydrophobicContact CE1-CD 3.89Å; Y279-K288 HydrophobicContact CE2-CB 3.9Å; Y279-K288 HydrophobicContact CE2-CD 3.93Å; Y279-K288 HydrophobicContact CG-CB 3.79Å; E285-K288 PolarHBondContact O-N 3.43Å; E285-K288 IonicContact OE1-NZ 3.7Å; E285-K288 WeakPolarHBondContact OE2-CD 3.41Å; E285-K288 IonicContact OE2-NZ 3.81Å; E285-K288 PolarHBondContact OE2-NZ 3.09Å; K288-K290 PolarHBondContact O-N 3.47Å; K288-A291 PolarHBondContact O-N 2.72Å; K288-V292 WeakPolarHBondContact O-CG2 3.25Å; K288-V292 PolarHBondContact O-N 3.35Å; K288-L349 HydrophobicContact CD-CB 4.39Å; K288-L349 HydrophobicContact CD-CD1 4.34Å; K288-L349 HydrophobicContact CG-CD1 4.32Å
289	I	96	Very high	96.5	Very high	69 Å²	69	30.4 Å²	30.4	35%	0.354	16%	0.157	S	C	.	.	H	α-helix	trans	-59.5	-48.6	178	-68.9	166.4	0	0	0	110.4	L156 E285 I286 F287 V292 Q293	L156-I289 HydrophobicContact CD1-CG1 4.42Å; E285-I289 VanDerWaalsContact O-CG1 3.31Å; E285-I289 WeakPolarHBondContact O-CG1 3.41Å; E285-I289 PolarHBondContact O-N 2.94Å; I286-I289 PolarHBondContact O-N 3.49Å; F287-I289 PolarHBondContact O-N 3.43Å; I289-V292 PolarHBondContact O-N 3.4Å; I289-Q293 HydrophobicContact CG2-CG 4.5Å; I289-Q293 VanDerWaalsContact O-CG 3.31Å; I289-Q293 WeakPolarHBondContact O-CG 3.48Å; I289-Q293 PolarHBondContact O-N 3.01Å
290	K	97.9	Very high	96.5	Very high	28 Å²	28	31.9 Å²	31.9	12%	0.122	17%	0.166	C	C	.	.	H	α-helix	trans	-65.1	-39.8	179.3	-66.9	-71.8	-177.7	179.1	0	111.9	I250 L254 F256 L275 I286 F287 K288 V292 Q293 L294	I250-K290 HydrophobicContact CG2-CG 3.9Å; I250-K290 WeakPolarHBondContact O-CE 3.38Å; L254-K290 PolarHBondContact O-NZ 3.29Å; F256-K290 HydrophobicContact CE2-CB 4.28Å; F256-K290 HydrophobicContact CE2-CD 4.26Å; F256-K290 WeakPolarHBondContact CE2-O 3.44Å; L275-K290 HydrophobicContact CD1-CB 3.81Å; L275-K290 HydrophobicContact CD2-CB 4.22Å; I286-K290 HydrophobicContact CD1-CG 4.15Å; I286-K290 HydrophobicContact CG1-CG 4.22Å; I286-K290 VanDerWaalsContact O-CG 3.31Å; I286-K290 WeakPolarHBondContact O-CG 3.44Å; I286-K290 PolarHBondContact O-N 3.49Å; F287-K290 PolarHBondContact O-N 3.16Å; K288-K290 PolarHBondContact O-N 3.47Å; K290-V292 PolarHBondContact O-N 3.2Å; K290-Q293 PolarHBondContact O-N 2.95Å; K290-L294 WeakPolarHBondContact O-CB 3.36Å; K290-L294 PolarHBondContact O-N 3.36Å
291	A	98.3	Very high	96.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-60	-45.4	176.7	0	0	0	0	0	111.5	L275 L276 F287 K288 L294 A295 L346	L275-A291 HydrophobicContact CB-CB 3.87Å; L275-A291 HydrophobicContact CD1-CB 4.34Å; L276-A291 HydrophobicContact CD2-CB 4.24Å; L276-A291 HydrophobicContact CG-CB 4.33Å; F287-A291 WeakPolarHBondContact O-CB 3.28Å; F287-A291 PolarHBondContact O-N 3.45Å; K288-A291 PolarHBondContact O-N 2.72Å; A291-L294 PolarHBondContact O-N 2.96Å; A291-A295 WeakPolarHBondContact O-CB 3.47Å; A291-A295 PolarHBondContact O-N 3.27Å; A291-L346 HydrophobicContact CB-CD2 4.41Å
292	V	97.6	Very high	96.8	Very high	14 Å²	14	31.8 Å²	31.8	9%	0.085	17%	0.166	C	C	.	.	H	α-helix	trans	-65.5	-45.8	177.4	174.6	0	0	0	0	111.4	L156 K288 I289 K290 L294 A295 E296 L346 T350	L156-V292 HydrophobicContact CD1-CG2 4.16Å; K288-V292 WeakPolarHBondContact O-CG2 3.25Å; K288-V292 PolarHBondContact O-N 3.35Å; I289-V292 PolarHBondContact O-N 3.4Å; K290-V292 PolarHBondContact O-N 3.2Å; V292-L294 VanDerWaalsContact C-N 3.28Å; V292-L294 PolarHBondContact O-N 3.48Å; V292-A295 PolarHBondContact O-N 3.19Å; V292-E296 WeakPolarHBondContact O-CG 3.24Å; V292-E296 PolarHBondContact O-N 3.3Å; V292-L346 HydrophobicContact CG2-CD2 3.93Å; V292-T350 HydrophobicContact CB-CG2 4.36Å; V292-T350 HydrophobicContact CG1-CG2 4.01Å; V292-T350 HydrophobicContact CG2-CG2 3.34Å
293	Q	97.1	Very high	96.9	Very high	85 Å²	85	36 Å²	36	40%	0.397	19%	0.186	S	C	.	.	H	α-helix	trans	-56.4	-44.3	177.3	-75.3	175.2	-8.9	0	0	111.8	F256 I289 K290 K297	F256-Q293 HydrophobicContact CD2-CB 4.16Å; F256-Q293 HydrophobicContact CE2-CB 4.4Å; I289-Q293 HydrophobicContact CG2-CG 4.5Å; I289-Q293 VanDerWaalsContact O-CG 3.31Å; I289-Q293 WeakPolarHBondContact O-CG 3.48Å; I289-Q293 PolarHBondContact O-N 3.01Å; K290-Q293 PolarHBondContact O-N 2.95Å; Q293-K297 WeakPolarHBondContact O-CG 3.4Å; Q293-K297 PolarHBondContact O-N 2.92Å
294	L	97.6	Very high	97.2	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-66.7	-44.7	177.7	-176.4	51.8	0	0	0	111.9	F256 V267 F271 I272 K290 A291 V292 E296 K297 L298 L315	F256-L294 HydrophobicContact CB-CD1 4.45Å; F256-L294 HydrophobicContact CD1-CD1 3.66Å; F256-L294 HydrophobicContact CD1-CD2 4.48Å; F256-L294 HydrophobicContact CD1-CG 4.44Å; F256-L294 HydrophobicContact CD2-CB 3.95Å; F256-L294 HydrophobicContact CD2-CD1 4.38Å; F256-L294 HydrophobicContact CE1-CB 4.26Å; F256-L294 HydrophobicContact CE1-CD1 3.88Å; F256-L294 HydrophobicContact CE1-CD2 3.84Å; F256-L294 HydrophobicContact CE1-CG 4.22Å; F256-L294 HydrophobicContact CE2-CB 3.69Å; F256-L294 HydrophobicContact CG-CB 4.34Å; F256-L294 HydrophobicContact CG-CD1 3.91Å; F256-L294 HydrophobicContact CZ-CB 3.84Å; F256-L294 HydrophobicContact CZ-CD1 4.34Å; F256-L294 HydrophobicContact CZ-CD2 3.88Å; F256-L294 HydrophobicContact CZ-CG 4.25Å; V267-L294 HydrophobicContact CG1-CD1 3.74Å; V267-L294 HydrophobicContact CG1-CD2 3.62Å; V267-L294 HydrophobicContact CG1-CG 3.88Å; F271-L294 HydrophobicContact CB-CD2 3.4Å; F271-L294 HydrophobicContact CG-CD2 4.19Å; I272-L294 HydrophobicContact CD1-CG 4.38Å; I272-L294 HydrophobicContact CG1-CB 4.39Å; I272-L294 HydrophobicContact CG1-CD2 3.89Å; I272-L294 HydrophobicContact CG1-CG 4.06Å; K290-L294 WeakPolarHBondContact O-CB 3.36Å; K290-L294 PolarHBondContact O-N 3.36Å; A291-L294 PolarHBondContact O-N 2.96Å; V292-L294 VanDerWaalsContact C-N 3.28Å; V292-L294 PolarHBondContact O-N 3.48Å; L294-E296 VanDerWaalsContact C-N 3.28Å; L294-E296 PolarHBondContact O-N 3.17Å; L294-K297 WeakPolarHBondContact O-CA 3.42Å; L294-K297 WeakPolarHBondContact O-CB 3.47Å; L294-K297 PolarHBondContact O-N 3.44Å; L294-L298 PolarHBondContact O-N 2.97Å; L294-L315 HydrophobicContact CD1-CD2 4.29Å
295	A	97.9	Very high	97.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-57.9	-40.8	178.2	0	0	0	0	0	112.2	I272 A291 V292 K297 L298 L299 L346 Y355	I272-A295 HydrophobicContact CD1-CB 3.97Å; A291-A295 WeakPolarHBondContact O-CB 3.47Å; A291-A295 PolarHBondContact O-N 3.27Å; V292-A295 PolarHBondContact O-N 3.19Å; A295-K297 VanDerWaalsContact C-N 3.26Å; A295-K297 PolarHBondContact O-N 3.26Å; A295-L298 PolarHBondContact O-N 3.45Å; A295-L299 PolarHBondContact O-N 3.27Å; A295-L299 VanDerWaalsContact O-N 3.17Å; A295-L346 HydrophobicContact CB-CD1 3.39Å; A295-L346 HydrophobicContact CB-CD2 3.97Å; A295-L346 HydrophobicContact CB-CG 4.31Å; A295-Y355 HydrophobicContact CB-CD1 4.27Å; A295-Y355 HydrophobicContact CB-CE1 3.57Å
296	E	97.3	Very high	97.6	Very high	77 Å²	77	33 Å²	33	36%	0.36	17%	0.174	S	C	.	.	H	α-helix	trans	-60.2	-35.8	174.7	-71	-167.8	140.7	0	0	112.4	K151 V292 L294 L298 Y355	K151-E296 IonicContact NZ-OE1 3.26Å; K151-E296 PolarHBondContact NZ-OE1 2.87Å; V292-E296 WeakPolarHBondContact O-CG 3.24Å; V292-E296 PolarHBondContact O-N 3.3Å; L294-E296 VanDerWaalsContact C-N 3.28Å; L294-E296 PolarHBondContact O-N 3.17Å; E296-L298 VanDerWaalsContact C-N 3.3Å; E296-L298 PolarHBondContact O-N 3.35Å; E296-Y355 WeakPolarHBondContact CG-OH 3.49Å
297	K	97.1	Very high	97.8	Very high	69 Å²	69	32 Å²	32	30%	0.3	17%	0.172	S	C	.	.	H	α-helix	trans	-70.8	-22.8	174.6	-59.9	-54.1	-168	178.2	0	113.5	F256 Q293 L294 A295 P300 L315	F256-K297 HydrophobicContact CB-CG 4.2Å; Q293-K297 WeakPolarHBondContact O-CG 3.4Å; Q293-K297 PolarHBondContact O-N 2.92Å; L294-K297 WeakPolarHBondContact O-CA 3.42Å; L294-K297 WeakPolarHBondContact O-CB 3.47Å; L294-K297 PolarHBondContact O-N 3.44Å; A295-K297 VanDerWaalsContact C-N 3.26Å; A295-K297 PolarHBondContact O-N 3.26Å; K297-P300 WeakPolarHBondContact O-CD 3.48Å; K297-L315 HydrophobicContact CB-CD2 3.78Å; K297-L315 WeakPolarHBondContact CD-O 3.47Å
298	L	98.3	Very high	97.8	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-86.5	-21.3	177.8	-59.7	-172.1	0	0	0	113.3	V262 V264 V267 I272 L294 A295 E296 P300 A301 V313 L315	V262-L298 HydrophobicContact CG2-CD2 4.37Å; V264-L298 HydrophobicContact CG1-CD1 4.47Å; V267-L298 HydrophobicContact CG1-CD1 4.18Å; V267-L298 HydrophobicContact CG1-CD2 4.32Å; I272-L298 HydrophobicContact CD1-CD1 3.7Å; L294-L298 PolarHBondContact O-N 2.97Å; A295-L298 PolarHBondContact O-N 3.45Å; E296-L298 VanDerWaalsContact C-N 3.3Å; E296-L298 PolarHBondContact O-N 3.35Å; L298-P300 VanDerWaalsContact C-N 3.3Å; L298-P300 VanDerWaalsContact O-N 3.17Å; L298-A301 WeakPolarHBondContact O-CB 3.48Å; L298-A301 PolarHBondContact O-N 2.94Å; L298-V313 HydrophobicContact CD2-CG1 3.71Å; L298-L315 HydrophobicContact CD2-CD2 4.01Å
299	L	98.4	Very high	97.9	Very high	23 Å²	23	32 Å²	32	12%	0.12	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-51	-37.9	179.4	-71.4	175.1	0	0	0	115	A295 A301 F302 F343 I354 Y355 K358	A295-L299 PolarHBondContact O-N 3.27Å; A295-L299 VanDerWaalsContact O-N 3.17Å; L299-A301 PolarHBondContact O-N 3.46Å; L299-F302 WeakPolarHBondContact O-CD2 3.43Å; L299-F302 PolarHBondContact O-N 3.45Å; L299-F302 VanDerWaalsContact O-N 3.16Å; L299-F343 HydrophobicContact CD2-CE1 4.48Å; L299-I354 HydrophobicContact CD1-CD1 3.92Å; L299-I354 HydrophobicContact CD1-CG2 4.37Å; L299-I354 HydrophobicContact CD2-CD1 4.29Å; L299-I354 HydrophobicContact CD2-CG1 4.18Å; L299-I354 HydrophobicContact CD2-CG2 4.47Å; L299-Y355 HydrophobicContact CD1-CE1 4.25Å; L299-Y355 HydrophobicContact CD2-CD1 4.02Å; L299-Y355 HydrophobicContact CD2-CE1 4.03Å; L299-Y355 HydrophobicContact CG-CE1 4.22Å; L299-K358 HydrophobicContact CD2-CG 4.33Å
300	P	98.5	Very high	98.1	Very high	33 Å²	33	29.9 Å²	29.9	21%	0.214	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-59.9	-22.3	175.7	-26	36.6	0	0	0	114.8	K297 L298 F302 N303 V313 G318	K297-P300 WeakPolarHBondContact O-CD 3.48Å; L298-P300 VanDerWaalsContact C-N 3.3Å; L298-P300 VanDerWaalsContact O-N 3.17Å; P300-F302 PolarHBondContact O-N 3.22Å; P300-N303 VanDerWaalsContact O-CB 3.27Å; P300-N303 WeakPolarHBondContact O-CB 3.35Å; P300-N303 PolarHBondContact O-N 3.33Å; P300-V313 HydrophobicContact CB-CG2 4.36Å; P300-G318 VanDerWaalsContact CB-O 3.25Å; P300-G318 WeakPolarHBondContact CB-O 3.35Å
301	A	98.6	Very high	98.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-58.7	-30.9	176.1	0	0	0	0	0	112.3	V264 L298 L299 N303 P309 W310 V313	V264-A301 HydrophobicContact CG1-CB 4.3Å; V264-A301 HydrophobicContact CG2-CB 3.57Å; L298-A301 WeakPolarHBondContact O-CB 3.48Å; L298-A301 PolarHBondContact O-N 2.94Å; L299-A301 PolarHBondContact O-N 3.46Å; A301-N303 PolarHBondContact O-N 2.89Å; A301-P309 HydrophobicContact CB-CB 4.15Å; A301-P309 CarbonylContact O-C 3.25Å; A301-P309 VanDerWaalsContact O-CA 3.24Å; A301-P309 WeakPolarHBondContact O-CA 3.36Å; A301-W310 VanDerWaalsContact O-CD1 3.28Å; A301-W310 PolarHBondContact O-N 3.22Å; A301-V313 HydrophobicContact CB-CB 4.23Å
302	F	98.7	Very high	98	Very high	3 Å²	3	28.9 Å²	28.9	1%	0.013	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-81.3	1.4	179.4	-60.3	-96.4	0	0	0	113.7	L299 P300 T304 P309 L339 F343 K358 I362	L299-F302 WeakPolarHBondContact O-CD2 3.43Å; L299-F302 PolarHBondContact O-N 3.45Å; L299-F302 VanDerWaalsContact O-N 3.16Å; P300-F302 PolarHBondContact O-N 3.22Å; F302-T304 PolarHBondContact O-N 2.85Å; F302-P309 HydrophobicContact CD1-CB 3.86Å; F302-P309 HydrophobicContact CD1-CG 4.08Å; F302-P309 HydrophobicContact CD2-CB 4.42Å; F302-P309 HydrophobicContact CE1-CB 3.98Å; F302-P309 HydrophobicContact CE1-CG 3.85Å; F302-P309 HydrophobicContact CG-CB 4.11Å; F302-P309 HydrophobicContact CZ-CB 4.32Å; F302-P309 HydrophobicContact CZ-CG 4.35Å; F302-L339 HydrophobicContact CE1-CD1 4.18Å; F302-L339 HydrophobicContact CZ-CD1 3.73Å; F302-F343 AromaticContact CE2-CE1 3.59Å; F302-F343 HydrophobicContact CE2-CE1 3.59Å; F302-F343 AromaticContact CE2-CZ 3.69Å; F302-F343 HydrophobicContact CE2-CZ 3.69Å; F302-F343 HydrophobicContact CZ-CD1 4.37Å; F302-F343 AromaticContact CZ-CE1 3.59Å; F302-F343 HydrophobicContact CZ-CE1 3.59Å; F302-F343 AromaticContact CZ-CZ 3.81Å; F302-F343 HydrophobicContact CZ-CZ 3.81Å; F302-K358 HydrophobicContact CB-CD 3.77Å; F302-K358 HydrophobicContact CB-CG 4.49Å; F302-K358 HydrophobicContact CD1-CB 3.86Å; F302-K358 HydrophobicContact CD1-CD 4.01Å; F302-K358 HydrophobicContact CD1-CG 4.13Å; F302-K358 HydrophobicContact CD2-CD 4.48Å; F302-K358 HydrophobicContact CD2-CG 4.31Å; F302-K358 HydrophobicContact CE1-CB 3.75Å; F302-K358 HydrophobicContact CE1-CG 4.4Å; F302-K358 HydrophobicContact CG-CB 4.29Å; F302-K358 HydrophobicContact CG-CD 3.85Å; F302-K358 HydrophobicContact CG-CG 4.07Å; F302-K358 HydrophobicContact CZ-CB 4.12Å; F302-I362 HydrophobicContact CE1-CD1 4.04Å
303	N	97.9	Very high	98	Very high	115 Å²	115	28.2 Å²	28.2	62%	0.615	15%	0.153	S	C	*	.			trans	-80	66.2	177.6	-66	-16.1	0	0	0	110.3	P300 A301	P300-N303 VanDerWaalsContact O-CB 3.27Å; P300-N303 WeakPolarHBondContact O-CB 3.35Å; P300-N303 PolarHBondContact O-N 3.33Å; A301-N303 PolarHBondContact O-N 2.89Å
304	T	98.3	Very high	98	Very high	17 Å²	17	25.1 Å²	25.1	10%	0.104	14%	0.139	C	C	.	.	S	Bend	trans	-123.4	156.7	175.4	72.7	0	0	0	0	109.6	F302 T306 G307 I308 W310 P382	F302-T304 PolarHBondContact O-N 2.85Å; T304-T306 PolarHBondContact O-N 3.27Å; T304-T306 VanDerWaalsContact O-N 3.13Å; T304-G307 PolarHBondContact O-N 3.13Å; T304-G307 VanDerWaalsContact O-N 3.12Å; T304-G307 WeakPolarHBondContact OG1-CA 3.45Å; T304-G307 PolarHBondContact OG1-N 2.94Å; T304-I308 WeakPolarHBondContact CB-O 3.42Å; T304-I308 WeakPolarHBondContact CG2-O 3.31Å; T304-I308 PolarHBondContact OG1-N 3.08Å; T304-I308 PolarHBondContact OG1-O 3.47Å; T304-W310 HydrophobicContact CG2-CD2 3.85Å; T304-W310 VanDerWaalsContact CG2-CE2 3.43Å; T304-W310 HydrophobicContact CG2-CG 4.07Å; T304-W310 HydrophobicContact CG2-CH2 4.44Å; T304-W310 HydrophobicContact CG2-CZ2 3.77Å; T304-P382 HydrophobicContact CG2-CB 4.09Å; T304-P382 PolarHBondContact OG1-O 3.35Å
305	P	98.1	Very high	97.9	Very high	101 Å²	101	25.2 Å²	25.2	66%	0.656	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-32.7	178.7	-28.1	35.5	0	0	0	114.1	R383	P305-R383 HydrophobicContact CG-CB 4.43Å
306	T	97.9	Very high	97.7	Very high	19 Å²	19	32.1 Å²	32.1	12%	0.117	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-15	-178.7	63.4	0	0	0	0	113.5	T304 I308 H361 L365 P382 G385	T304-T306 PolarHBondContact O-N 3.27Å; T304-T306 VanDerWaalsContact O-N 3.13Å; T306-I308 PolarHBondContact O-N 3.48Å; T306-I308 WeakPolarHBondContact OG1-CB 3.3Å; T306-I308 WeakPolarHBondContact OG1-CG1 3.41Å; T306-I308 PolarHBondContact OG1-N 2.77Å; T306-I308 VanDerWaalsContact OG1-N 3.16Å; T306-H361 PolarHBondContact O-CD2 3.16Å; T306-H361 PolarHBondContact O-NE2 3.36Å; T306-L365 WeakPolarHBondContact O-CD1 3.36Å; T306-P382 WeakPolarHBondContact CB-O 3.42Å; T306-P382 VanDerWaalsContact CG2-O 3.22Å; T306-P382 WeakPolarHBondContact CG2-O 3.24Å; T306-P382 PolarHBondContact N-O 2.84Å; T306-P382 VanDerWaalsContact OG1-C 3.3Å; T306-P382 WeakPolarHBondContact OG1-CA 3.39Å; T306-P382 PolarHBondContact OG1-O 3.42Å; T306-G385 VanDerWaalsContact CG2-N 3.33Å
307	G	97.8	Very high	97.6	Very high	14 Å²	14	31.9 Å²	31.9	14%	0.144	18%	0.176	C	C	.	.	S	Bend	trans	77.4	-2.9	-168.6	0	0	0	0	0	114.8	T304	T304-G307 PolarHBondContact O-N 3.13Å; T304-G307 VanDerWaalsContact O-N 3.12Å; T304-G307 WeakPolarHBondContact OG1-CA 3.45Å; T304-G307 PolarHBondContact OG1-N 2.94Å
308	I	98.6	Very high	97.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-69.9	124.6	167.5	-60.7	-60.2	0	0	0	108.1	T304 T306 F336 I362 L365 L380 P382	T304-I308 WeakPolarHBondContact CB-O 3.42Å; T304-I308 WeakPolarHBondContact CG2-O 3.31Å; T304-I308 PolarHBondContact OG1-N 3.08Å; T304-I308 PolarHBondContact OG1-O 3.47Å; T306-I308 PolarHBondContact O-N 3.48Å; T306-I308 WeakPolarHBondContact OG1-CB 3.3Å; T306-I308 WeakPolarHBondContact OG1-CG1 3.41Å; T306-I308 PolarHBondContact OG1-N 2.77Å; T306-I308 VanDerWaalsContact OG1-N 3.16Å; I308-F336 HydrophobicContact CG2-CB 4.42Å; I308-F336 HydrophobicContact CG2-CD1 3.81Å; I308-F336 HydrophobicContact CG2-CE1 4.17Å; I308-F336 HydrophobicContact CG2-CG 4.02Å; I308-I362 HydrophobicContact CD1-CB 4.4Å; I308-I362 HydrophobicContact CD1-CG1 4.14Å; I308-I362 HydrophobicContact CD1-CG2 4.09Å; I308-L365 HydrophobicContact CD1-CD1 4.29Å; I308-L365 HydrophobicContact CD1-CD2 4.28Å; I308-L365 HydrophobicContact CG1-CD1 4.14Å; I308-L365 HydrophobicContact CG1-CD2 4.48Å; I308-L380 HydrophobicContact CD1-CD2 3.79Å; I308-L380 HydrophobicContact CG1-CD2 3.72Å; I308-L380 HydrophobicContact CG1-CG 4.37Å; I308-L380 HydrophobicContact CG2-CD2 4.43Å; I308-P382 HydrophobicContact CB-CB 4.03Å; I308-P382 HydrophobicContact CG2-CB 4.16Å; I308-P382 WeakPolarHBondContact O-CB 3.4Å
309	P	98.7	Very high	97.5	Very high	4 Å²	4	34.1 Å²	34.1	3%	0.026	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-69.1	153.8	-172.3	27.4	-34.4	0	0	0	112.7	A301 F302 S331 F336 L339 I362	A301-P309 HydrophobicContact CB-CB 4.15Å; A301-P309 CarbonylContact O-C 3.25Å; A301-P309 VanDerWaalsContact O-CA 3.24Å; A301-P309 WeakPolarHBondContact O-CA 3.36Å; F302-P309 HydrophobicContact CD1-CB 3.86Å; F302-P309 HydrophobicContact CD1-CG 4.08Å; F302-P309 HydrophobicContact CD2-CB 4.42Å; F302-P309 HydrophobicContact CE1-CB 3.98Å; F302-P309 HydrophobicContact CE1-CG 3.85Å; F302-P309 HydrophobicContact CG-CB 4.11Å; F302-P309 HydrophobicContact CZ-CB 4.32Å; F302-P309 HydrophobicContact CZ-CG 4.35Å; P309-S331 WeakPolarHBondContact O-CB 3.27Å; P309-S331 PolarHBondContact O-OG 3.44Å; P309-F336 HydrophobicContact CG-CB 3.61Å; P309-L339 HydrophobicContact CG-CD1 3.93Å; P309-I362 HydrophobicContact CG-CD1 4.27Å
310	W	98.6	Very high	97.5	Very high	24 Å²	24	33.9 Å²	33.9	9%	0.091	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-62.6	146.8	161.7	-62.7	119	0	0	0	110.7	V264 A301 T304 N322 P382 R383	V264-W310 WeakPolarHBondContact CG2-O 3.46Å; A301-W310 VanDerWaalsContact O-CD1 3.28Å; A301-W310 PolarHBondContact O-N 3.22Å; T304-W310 HydrophobicContact CG2-CD2 3.85Å; T304-W310 VanDerWaalsContact CG2-CE2 3.43Å; T304-W310 HydrophobicContact CG2-CG 4.07Å; T304-W310 HydrophobicContact CG2-CH2 4.44Å; T304-W310 HydrophobicContact CG2-CZ2 3.77Å; W310-N322 WeakPolarHBondContact CA-OD1 3.43Å; W310-N322 HydrophobicContact CE3-CB 4.41Å; W310-P382 HydrophobicContact CE3-CG 3.83Å; W310-P382 HydrophobicContact CH2-CG 3.85Å; W310-P382 HydrophobicContact CZ3-CB 4.39Å; W310-P382 HydrophobicContact CZ3-CG 3.33Å; W310-R383 HydrophobicContact CH2-CG 3.95Å
311	A	97.9	Very high	97.4	Very high	3 Å²	3	37.6 Å²	37.6	3%	0.025	21%	0.213	C	C	.	.	S	Bend	trans	-64.3	-40.9	174.8	0	0	0	0	0	112.3	V264 R321 N322 W323 E335	V264-A311 PolarHBondContact N-O 3.04Å; A311-R321 PolarHBondContact N-O 3.21Å; A311-N322 PolarHBondContact N-OD1 2.75Å; A311-W323 HydrophobicContact CB-CG 4.45Å; A311-E335 WeakPolarHBondContact CB-OE2 3.13Å
312	M	97.4	Very high	97.4	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.02	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	144.7	-176.6	-59.7	-67.4	-68.2	0	0	110.8	E261 V262 S263 G320 R321 W323	E261-M312 HydrophobicContact CB-CE 4.49Å; E261-M312 HydrophobicContact CG-CB 3.89Å; E261-M312 HydrophobicContact CG-CE 4.01Å; E261-M312 WeakPolarHBondContact OE1-CB 3.45Å; E261-M312 VanDerWaalsContact OE1-CE 3.29Å; E261-M312 WeakPolarHBondContact OE1-CE 3.13Å; V262-M312 CarbonylContact O-C 3.55Å; V262-M312 VanDerWaalsContact O-CA 3.25Å; V262-M312 WeakPolarHBondContact O-CA 3.34Å; S263-M312 WeakPolarHBondContact CA-SD 3.38Å; S263-M312 PolarHBondContact N-SD 3.27Å; S263-M312 VanDerWaalsContact N-SD 3.44Å; M312-G320 CarbonylContact O-C 3.31Å; M312-G320 WeakPolarHBondContact O-CA 3.3Å; M312-R321 HydrophobicContact CB-CG 4.22Å; M312-R321 WeakPolarHBondContact CB-O 3.5Å; M312-R321 PolarHBondContact N-O 3.08Å; M312-R321 PolarHBondContact O-N 3.25Å; M312-W323 HydrophobicContact CE-CH2 4.2Å; M312-W323 HydrophobicContact CG-CE3 4.47Å; M312-W323 HydrophobicContact CG-CH2 4.23Å; M312-W323 HydrophobicContact CG-CZ2 4.31Å; M312-W323 HydrophobicContact CG-CZ3 4.31Å; M312-W323 HydrophobicContact SD-CH2 3.32Å; M312-W323 WeakPolarHBondContact SD-CH2 3.49Å; M312-W323 HydrophobicContact SD-CZ2 3.54Å; M312-W323 VanDerWaalsContact SD-CZ2 3.54Å; M312-W323 HydrophobicContact SD-CZ3 3.88Å
313	V	97.4	Very high	97.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	141.8	173.6	69.8	0	0	0	0	111.1	E261 V262 V264 L298 P300 A301	E261-V313 WeakPolarHBondContact CA-O 3.5Å; V262-V313 HydrophobicContact CG2-CG1 4.2Å; V262-V313 PolarHBondContact N-O 2.65Å; V262-V313 PolarHBondContact O-N 3.35Å; V264-V313 HydrophobicContact CG2-CB 4.03Å; V264-V313 HydrophobicContact CG2-CG1 3.68Å; L298-V313 HydrophobicContact CD2-CG1 3.71Å; P300-V313 HydrophobicContact CB-CG2 4.36Å; A301-V313 HydrophobicContact CB-CB 4.23Å
314	N	97.1	Very high	97	Very high	21 Å²	21	39.1 Å²	39.1	11%	0.112	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	121.7	170.3	-177.8	-65.9	0	0	0	110.6	N259 S260 K316 S317 G318 V319	N259-N314 PolarHBondContact OD1-ND2 3.47Å; N259-N314 PolarHBondContact OD1-OD1 3.22Å; S260-N314 VanDerWaalsContact O-CA 3.29Å; S260-N314 WeakPolarHBondContact O-CA 3.27Å; N314-K316 PolarHBondContact O-N 3.37Å; N314-K316 PolarHBondContact OD1-N 3.07Å; N314-S317 VanDerWaalsContact CB-OG 3.3Å; N314-S317 WeakPolarHBondContact CB-OG 3.1Å; N314-S317 VanDerWaalsContact CG-OG 3.3Å; N314-S317 PolarHBondContact OD1-N 3.19Å; N314-S317 PolarHBondContact OD1-OG 3.1Å; N314-G318 VanDerWaalsContact O-CA 3.31Å; N314-G318 WeakPolarHBondContact O-CA 3.49Å; N314-G318 PolarHBondContact O-N 3.01Å; N314-V319 PolarHBondContact N-O 3.45Å
315	L	95	Very high	96.8	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.016	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-21.9	-173.7	-64	179.6	0	0	0	114	M223 F256 V258 S260 V262 L294 K297 L298	M223-L315 HydrophobicContact SD-CD1 4.01Å; F256-L315 WeakPolarHBondContact O-CB 3.29Å; V258-L315 HydrophobicContact CG2-CB 4.48Å; V258-L315 HydrophobicContact CG2-CD1 3.9Å; S260-L315 PolarHBondContact O-N 2.93Å; V262-L315 HydrophobicContact CG1-CD1 3.91Å; V262-L315 HydrophobicContact CG1-CG 4.11Å; V262-L315 HydrophobicContact CG2-CD1 4.27Å; V262-L315 HydrophobicContact CG2-CD2 3.71Å; V262-L315 HydrophobicContact CG2-CG 3.87Å; L294-L315 HydrophobicContact CD1-CD2 4.29Å; K297-L315 HydrophobicContact CB-CD2 3.78Å; K297-L315 WeakPolarHBondContact CD-O 3.47Å; L298-L315 HydrophobicContact CD2-CD2 4.01Å
316	K	94.1	Very high	96.6	Very high	144 Å²	144	41.2 Å²	41.2	63%	0.626	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-47.1	178.1	-172.4	170.9	-172.7	166.1	0	112.9	V258 N259 N314	V258-K316 WeakPolarHBondContact O-CB 3.47Å; V258-K316 PolarHBondContact O-N 3.44Å; N259-K316 HydrophobicContact CB-CB 4.31Å; N259-K316 HydrophobicContact CB-CD 3.91Å; N314-K316 PolarHBondContact O-N 3.37Å; N314-K316 PolarHBondContact OD1-N 3.07Å
317	S	95.9	Very high	96.2	Very high	72 Å²	72	41.3 Å²	41.3	50%	0.503	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-18.4	-173.8	70.5	0	0	0	0	113.7	N314 V319	N314-S317 VanDerWaalsContact CB-OG 3.3Å; N314-S317 WeakPolarHBondContact CB-OG 3.1Å; N314-S317 VanDerWaalsContact CG-OG 3.3Å; N314-S317 PolarHBondContact OD1-N 3.19Å; N314-S317 PolarHBondContact OD1-OG 3.1Å; S317-V319 PolarHBondContact O-N 2.9Å; S317-V319 WeakPolarHBondContact OG-CG2 3.42Å; S317-V319 PolarHBondContact OG-N 2.95Å
318	G	96.3	Very high	95.8	Very high	20 Å²	20	44.2 Å²	44.2	21%	0.206	26%	0.255	C	S	.	.			trans	69.9	5.9	-173.9	0	0	0	0	0	114.2	P300 N314 G320	P300-G318 VanDerWaalsContact CB-O 3.25Å; P300-G318 WeakPolarHBondContact CB-O 3.35Å; N314-G318 VanDerWaalsContact O-CA 3.31Å; N314-G318 WeakPolarHBondContact O-CA 3.49Å; N314-G318 PolarHBondContact O-N 3.01Å; G318-G320 PolarHBondContact O-N 2.68Å
319	V	97.3	Very high	95.5	Very high	97 Å²	97	46 Å²	46	59%	0.588	27%	0.274	S	S	*	.			trans	-71.9	124.5	177.5	176.7	0	0	0	0	109	N314 S317	N314-V319 PolarHBondContact N-O 3.45Å; S317-V319 PolarHBondContact O-N 2.9Å; S317-V319 WeakPolarHBondContact OG-CG2 3.42Å; S317-V319 PolarHBondContact OG-N 2.95Å
320	G	96.8	Very high	95.5	Very high	18 Å²	18	45.8 Å²	45.8	19%	0.186	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	154.4	177.9	0	0	0	0	0	113.9	M312 G318	M312-G320 CarbonylContact O-C 3.31Å; M312-G320 WeakPolarHBondContact O-CA 3.3Å; G318-G320 PolarHBondContact O-N 2.68Å
321	R	97	Very high	95.5	Very high	111 Å²	111	44.8 Å²	44.8	42%	0.419	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	163.9	173.7	65.1	172.5	179.6	82.2	-3.1	111.8	E261 A311 M312	E261-R321 VanDerWaalsContact CD-NE 3.31Å; E261-R321 VanDerWaalsContact CD-NH2 3.34Å; E261-R321 IonicContact OE1-CZ 3.69Å; E261-R321 IonicContact OE1-NE 3.04Å; E261-R321 PolarHBondContact OE1-NE 2.96Å; E261-R321 IonicContact OE1-NH1 2.71Å; E261-R321 IonicContact OE1-NH2 3.33Å; E261-R321 PolarHBondContact OE1-NH2 3.3Å; E261-R321 IonicContact OE2-CZ 3.8Å; E261-R321 IonicContact OE2-NE 3.53Å; E261-R321 PolarHBondContact OE2-NE 3.23Å; E261-R321 IonicContact OE2-NH2 3.04Å; E261-R321 PolarHBondContact OE2-NH2 3.17Å; A311-R321 PolarHBondContact N-O 3.21Å; M312-R321 HydrophobicContact CB-CG 4.22Å; M312-R321 WeakPolarHBondContact CB-O 3.5Å; M312-R321 PolarHBondContact N-O 3.08Å; M312-R321 PolarHBondContact O-N 3.25Å
322	N	97.8	Very high	95.5	Very high	15 Å²	15	44.7 Å²	44.7	8%	0.08	27%	0.268	C	S	.	.			trans	-91.9	169.8	169	-75.8	-17.7	0	0	0	112.1	W310 A311 G329 S330 S331 P382	W310-N322 WeakPolarHBondContact CA-OD1 3.43Å; W310-N322 HydrophobicContact CE3-CB 4.41Å; A311-N322 PolarHBondContact N-OD1 2.75Å; N322-G329 PolarHBondContact ND2-O 3.31Å; N322-S330 PolarHBondContact ND2-O 3.32Å; N322-S331 PolarHBondContact ND2-N 3.36Å; N322-S331 VanDerWaalsContact ND2-N 3.11Å; N322-S331 PolarHBondContact ND2-OG 3.03Å; N322-S331 PolarHBondContact OD1-OG 3.09Å; N322-P382 WeakPolarHBondContact ND2-CG 3.32Å
323	W	95	Very high	95.6	Very high	51 Å²	51	44.5 Å²	44.5	19%	0.193	27%	0.267	C	S	.	.			trans	-61	135.6	172.8	-59.9	111.1	0	0	0	111.4	I217 A311 M312 W325 A326 E335	I217-W323 HydrophobicContact CG2-CH2 4.48Å; A311-W323 HydrophobicContact CB-CG 4.45Å; M312-W323 HydrophobicContact CE-CH2 4.2Å; M312-W323 HydrophobicContact CG-CE3 4.47Å; M312-W323 HydrophobicContact CG-CH2 4.23Å; M312-W323 HydrophobicContact CG-CZ2 4.31Å; M312-W323 HydrophobicContact CG-CZ3 4.31Å; M312-W323 HydrophobicContact SD-CH2 3.32Å; M312-W323 WeakPolarHBondContact SD-CH2 3.49Å; M312-W323 HydrophobicContact SD-CZ2 3.54Å; M312-W323 VanDerWaalsContact SD-CZ2 3.54Å; M312-W323 HydrophobicContact SD-CZ3 3.88Å; W323-W325 HydrophobicContact CB-CD2 4.1Å; W323-W325 HydrophobicContact CB-CG 4.36Å; W323-W325 HydrophobicContact CB-CZ2 3.88Å; W323-W325 AromaticContact CD1-CZ2 3.83Å; W323-W325 HydrophobicContact CD2-CZ2 4.27Å; W323-W325 AromaticContact CG-CE2 3.88Å; W323-W325 AromaticContact CG-CZ2 3.73Å; W323-W325 HydrophobicContact CG-CZ2 3.73Å; W323-W325 AromaticContact CG-NE1 3.95Å; W323-W325 PolarHBondContact O-N 3.38Å; W323-A326 HydrophobicContact CB-CB 4.06Å; W323-A326 WeakPolarHBondContact O-CB 3.5Å; W323-A326 PolarHBondContact O-N 3.16Å; W323-E335 PolarHBondContact NE1-OE1 3.19Å; W323-E335 PolarHBondContact NE1-OE2 2.87Å
324	G	94.1	Very high	95.6	Very high	83 Å²	83	44.7 Å²	44.7	86%	0.856	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-22.2	-177.7	0	0	0	0	0	114.3
325	W	93.9	Very high	95.7	Very high	155 Å²	155	44.8 Å²	44.8	59%	0.587	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-11	177.1	56.4	-101.9	0	0	0	113.3	W323 I332 Y379 L397	W323-W325 HydrophobicContact CB-CD2 4.1Å; W323-W325 HydrophobicContact CB-CG 4.36Å; W323-W325 HydrophobicContact CB-CZ2 3.88Å; W323-W325 AromaticContact CD1-CZ2 3.83Å; W323-W325 HydrophobicContact CD2-CZ2 4.27Å; W323-W325 AromaticContact CG-CE2 3.88Å; W323-W325 AromaticContact CG-CZ2 3.73Å; W323-W325 HydrophobicContact CG-CZ2 3.73Å; W323-W325 AromaticContact CG-NE1 3.95Å; W323-W325 PolarHBondContact O-N 3.38Å; W325-I332 HydrophobicContact CH2-CD1 4.1Å; W325-I332 HydrophobicContact CH2-CG1 4.49Å; W325-I332 HydrophobicContact CZ3-CD1 4.27Å; W325-Y379 HydrophobicContact CZ3-CE1 4.19Å; W325-L397 HydrophobicContact CH2-CD2 4.08Å
326	A	94.4	Very high	95.9	Very high	7 Å²	7	44.9 Å²	44.9	6%	0.058	27%	0.269	C	S	.	.	S	Bend	trans	-67.9	137.1	-175.6	0	0	0	0	0	111.1	W323 A328 G329 S330 I332 Y379	W323-A326 HydrophobicContact CB-CB 4.06Å; W323-A326 WeakPolarHBondContact O-CB 3.5Å; W323-A326 PolarHBondContact O-N 3.16Å; A326-A328 PolarHBondContact O-N 2.94Å; A326-G329 PolarHBondContact O-N 3.47Å; A326-S330 VanDerWaalsContact CB-O 3.28Å; A326-S330 WeakPolarHBondContact CB-O 3.44Å; A326-I332 HydrophobicContact CB-CD1 4.31Å; A326-Y379 HydrophobicContact CB-CE1 4.45Å
327	S	89.5	Confident	96.1	Very high	21 Å²	21	38.5 Å²	38.5	15%	0.147	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-52.2	122.7	-176.1	-173.9	0	0	0	0	111.4	G329 S330 Q389	S327-G329 PolarHBondContact O-N 3.14Å; S327-G329 VanDerWaalsContact O-N 3.08Å; S327-S330 WeakPolarHBondContact O-CB 3.29Å; S327-S330 PolarHBondContact O-N 3.11Å; S327-S330 PolarHBondContact O-OG 3.19Å; S327-Q389 WeakPolarHBondContact OG-CG 3.31Å; S327-Q389 PolarHBondContact OG-N 3.22Å
328	A	88.6	Confident	96.2	Very high	75 Å²	75	35.1 Å²	35.1	62%	0.62	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	51.5	31.4	179.6	0	0	0	0	0	114.6	A326 S330 N381	A326-A328 PolarHBondContact O-N 2.94Å; A328-S330 PolarHBondContact O-N 3.04Å; A328-N381 PolarHBondContact O-ND2 3.47Å
329	G	93.3	Very high	96.4	Very high	38 Å²	38	34.2 Å²	34.2	39%	0.392	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	64	29	-176.8	0	0	0	0	0	113.3	N322 A326 S327	N322-G329 PolarHBondContact ND2-O 3.31Å; A326-G329 PolarHBondContact O-N 3.47Å; S327-G329 PolarHBondContact O-N 3.14Å; S327-G329 VanDerWaalsContact O-N 3.08Å
330	S	97.9	Very high	96.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-76.5	155.9	-177.8	-60.9	0	0	0	0	113.3	N322 A326 S327 A328 L380	N322-S330 PolarHBondContact ND2-O 3.32Å; A326-S330 VanDerWaalsContact CB-O 3.28Å; A326-S330 WeakPolarHBondContact CB-O 3.44Å; S327-S330 WeakPolarHBondContact O-CB 3.29Å; S327-S330 PolarHBondContact O-N 3.11Å; S327-S330 PolarHBondContact O-OG 3.19Å; A328-S330 PolarHBondContact O-N 3.04Å; S330-L380 WeakPolarHBondContact CA-O 3.46Å; S330-L380 WeakPolarHBondContact CB-O 3.44Å
331	S	98.4	Very high	96.5	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.014	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	154.8	165.2	-53.6	0	0	0	0	109	P309 N322 L380	P309-S331 WeakPolarHBondContact O-CB 3.27Å; P309-S331 PolarHBondContact O-OG 3.44Å; N322-S331 PolarHBondContact ND2-N 3.36Å; N322-S331 VanDerWaalsContact ND2-N 3.11Å; N322-S331 PolarHBondContact ND2-OG 3.03Å; N322-S331 PolarHBondContact OD1-OG 3.09Å; S331-L380 PolarHBondContact N-O 3.44Å; S331-L380 PolarHBondContact O-N 2.59Å
332	I	98.7	Very high	96.6	Very high	1 Å²	1	24 Å²	24	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	134.4	-174.4	-55.9	-55.8	0	0	0	110.8	W325 A326 A334 E335 F336 N378 Y379 L397	W325-I332 HydrophobicContact CH2-CD1 4.1Å; W325-I332 HydrophobicContact CH2-CG1 4.49Å; W325-I332 HydrophobicContact CZ3-CD1 4.27Å; A326-I332 HydrophobicContact CB-CD1 4.31Å; I332-A334 PolarHBondContact O-N 2.88Å; I332-E335 HydrophobicContact CB-CB 4.05Å; I332-E335 HydrophobicContact CB-CG 3.76Å; I332-E335 HydrophobicContact CG1-CG 4.42Å; I332-E335 HydrophobicContact CG2-CG 4.13Å; I332-E335 WeakPolarHBondContact O-CB 3.27Å; I332-E335 PolarHBondContact O-N 2.87Å; I332-F336 VanDerWaalsContact C-CD1 3.49Å; I332-F336 WeakPolarHBondContact O-CD1 3.5Å; I332-F336 VanDerWaalsContact O-CE1 3.24Å; I332-F336 WeakPolarHBondContact O-CE1 3.37Å; I332-F336 PolarHBondContact O-N 3.31Å; I332-F336 VanDerWaalsContact O-N 3.1Å; I332-N378 WeakPolarHBondContact CA-O 3.21Å; I332-Y379 HydrophobicContact CD1-CD1 3.55Å; I332-Y379 HydrophobicContact CD1-CE1 3.37Å; I332-L397 HydrophobicContact CD1-CD2 4.39Å; I332-L397 HydrophobicContact CG1-CD2 4.43Å; I332-L397 HydrophobicContact CG2-CB 3.66Å; I332-L397 HydrophobicContact CG2-CD2 3.72Å; I332-L397 HydrophobicContact CG2-CG 4.28Å; I332-L397 WeakPolarHBondContact CG2-O 3.34Å
333	L	98.7	Very high	96.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-54.9	-51.5	-175.2	178.5	67.4	0	0	0	113	E335 F336 G337 Y376 N378 F401	L333-E335 VanDerWaalsContact C-N 3.3Å; L333-E335 PolarHBondContact O-N 3.27Å; L333-F336 HydrophobicContact CB-CZ 4.25Å; L333-F336 HydrophobicContact CD1-CE2 3.79Å; L333-F336 HydrophobicContact CD1-CZ 3.77Å; L333-G337 VanDerWaalsContact O-CA 3.32Å; L333-G337 WeakPolarHBondContact O-CA 3.13Å; L333-G337 PolarHBondContact O-N 3.24Å; L333-Y376 HydrophobicContact CD2-CG 4.49Å; L333-N378 PolarHBondContact N-O 3.24Å; L333-F401 HydrophobicContact CD1-CB 4.41Å; L333-F401 HydrophobicContact CD1-CD1 3.95Å; L333-F401 HydrophobicContact CD1-CD2 4.01Å; L333-F401 HydrophobicContact CD1-CE1 4.19Å; L333-F401 HydrophobicContact CD1-CE2 4.24Å; L333-F401 HydrophobicContact CD1-CG 3.85Å; L333-F401 HydrophobicContact CD1-CZ 4.32Å; L333-F401 HydrophobicContact CD2-CB 4.48Å; L333-F401 HydrophobicContact CD2-CD1 3.78Å; L333-F401 HydrophobicContact CD2-CE1 4.31Å; L333-F401 HydrophobicContact CD2-CG 4.23Å; L333-F401 HydrophobicContact CG-CB 3.93Å; L333-F401 HydrophobicContact CG-CD1 3.88Å; L333-F401 HydrophobicContact CG-CD2 4.45Å; L333-F401 HydrophobicContact CG-CG 3.82Å
334	A	98.6	Very high	96.8	Very high	4 Å²	4	21.8 Å²	21.8	3%	0.033	15%	0.148	C	C	.	.	H	α-helix	trans	-59.3	-41.7	175.9	0	0	0	0	0	111.6	I332 G337 T338 L397 D399	I332-A334 PolarHBondContact O-N 2.88Å; A334-G337 PolarHBondContact O-N 2.81Å; A334-T338 WeakPolarHBondContact O-CB 3.17Å; A334-T338 PolarHBondContact O-N 2.87Å; A334-T338 VanDerWaalsContact O-N 3.09Å; A334-T338 PolarHBondContact O-OG1 3.11Å; A334-L397 VanDerWaalsContact CB-C 3.45Å; A334-L397 PolarHBondContact N-O 2.69Å; A334-D399 WeakPolarHBondContact CB-OD1 3.33Å
335	E	98.8	Very high	96.9	Very high	23 Å²	23	17.8 Å²	17.8	11%	0.107	11%	0.108	C	C	.	.	H	α-helix	trans	-62.9	-52.9	-176.8	-67.8	178.6	-169.4	0	0	112.7	F265 A311 W323 I332 L333	F265-E335 HydrophobicContact CB-CB 3.7Å; F265-E335 HydrophobicContact CB-CG 3.78Å; F265-E335 HydrophobicContact CD1-CG 4.02Å; F265-E335 HydrophobicContact CG-CB 4.08Å; F265-E335 HydrophobicContact CG-CG 3.93Å; A311-E335 WeakPolarHBondContact CB-OE2 3.13Å; W323-E335 PolarHBondContact NE1-OE1 3.19Å; W323-E335 PolarHBondContact NE1-OE2 2.87Å; I332-E335 HydrophobicContact CB-CB 4.05Å; I332-E335 HydrophobicContact CB-CG 3.76Å; I332-E335 HydrophobicContact CG1-CG 4.42Å; I332-E335 HydrophobicContact CG2-CG 4.13Å; I332-E335 WeakPolarHBondContact O-CB 3.27Å; I332-E335 PolarHBondContact O-N 2.87Å; L333-E335 VanDerWaalsContact C-N 3.3Å; L333-E335 PolarHBondContact O-N 3.27Å
336	F	98.6	Very high	97.1	Very high	5 Å²	5	10.5 Å²	10.5	2%	0.022	8%	0.08	C	C	.	.	H	α-helix	trans	-80.5	-21.3	180	64.3	-107.7	0	0	0	113.3	I308 P309 I332 L333 T338 I362 L366 L380	I308-F336 HydrophobicContact CG2-CB 4.42Å; I308-F336 HydrophobicContact CG2-CD1 3.81Å; I308-F336 HydrophobicContact CG2-CE1 4.17Å; I308-F336 HydrophobicContact CG2-CG 4.02Å; P309-F336 HydrophobicContact CG-CB 3.61Å; I332-F336 VanDerWaalsContact C-CD1 3.49Å; I332-F336 WeakPolarHBondContact O-CD1 3.5Å; I332-F336 VanDerWaalsContact O-CE1 3.24Å; I332-F336 WeakPolarHBondContact O-CE1 3.37Å; I332-F336 PolarHBondContact O-N 3.31Å; I332-F336 VanDerWaalsContact O-N 3.1Å; L333-F336 HydrophobicContact CB-CZ 4.25Å; L333-F336 HydrophobicContact CD1-CE2 3.79Å; L333-F336 HydrophobicContact CD1-CZ 3.77Å; F336-T338 VanDerWaalsContact C-N 3.3Å; F336-I362 HydrophobicContact CB-CD1 4.37Å; F336-I362 HydrophobicContact CD2-CG2 3.78Å; F336-I362 HydrophobicContact CE2-CG2 4.27Å; F336-I362 WeakPolarHBondContact O-CD1 3.29Å; F336-L366 HydrophobicContact CE2-CD1 4.17Å; F336-L366 HydrophobicContact CE2-CD2 4.19Å; F336-L380 HydrophobicContact CE1-CB 3.81Å; F336-L380 HydrophobicContact CE1-CD2 4.42Å; F336-L380 HydrophobicContact CE2-CD2 4.28Å; F336-L380 HydrophobicContact CZ-CB 3.75Å; F336-L380 HydrophobicContact CZ-CD2 3.81Å; F336-L380 HydrophobicContact CZ-CG 4.42Å
337	G	98.5	Very high	97.2	Very high	11 Å²	11	10.5 Å²	10.5	11%	0.113	8%	0.079	C	C	.	.	H	α-helix	trans	-74.4	-20.9	177.4	0	0	0	0	0	113.8	L333 A334	L333-G337 VanDerWaalsContact O-CA 3.32Å; L333-G337 WeakPolarHBondContact O-CA 3.13Å; L333-G337 PolarHBondContact O-N 3.24Å; A334-G337 PolarHBondContact O-N 2.81Å
338	T	98.8	Very high	97.4	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	8%	0.077	C	C	.	.	S	Bend	trans	-113.4	44.1	-169.6	-42.8	0	0	0	0	111.5	F265 N268 I269 A334 F336 S400 F401 Y404 T619	F265-T338 HydrophobicContact CE2-CG2 3.82Å; N268-T338 PolarHBondContact ND2-O 2.8Å; I269-T338 HydrophobicContact CG2-CG2 4.12Å; A334-T338 WeakPolarHBondContact O-CB 3.17Å; A334-T338 PolarHBondContact O-N 2.87Å; A334-T338 VanDerWaalsContact O-N 3.09Å; A334-T338 PolarHBondContact O-OG1 3.11Å; F336-T338 VanDerWaalsContact C-N 3.3Å; T338-S400 WeakPolarHBondContact CG2-OG 3.29Å; T338-S400 VanDerWaalsContact OG1-C 3.23Å; T338-S400 WeakPolarHBondContact OG1-CB 3.5Å; T338-S400 PolarHBondContact OG1-O 2.73Å; T338-S400 PolarHBondContact OG1-OG 3.46Å; T338-F401 PolarHBondContact OG1-N 3.04Å; T338-Y404 HydrophobicContact CG2-CD1 3.66Å; T338-Y404 HydrophobicContact CG2-CD2 3.75Å; T338-Y404 HydrophobicContact CG2-CE1 3.46Å; T338-Y404 VanDerWaalsContact CG2-CE1 3.46Å; T338-Y404 HydrophobicContact CG2-CE2 3.52Å; T338-Y404 HydrophobicContact CG2-CG 3.81Å; T338-T619 HydrophobicContact CG2-CG2 3.53Å
339	L	98.9	Very high	97.5	Very high	2 Å²	2	7.1 Å²	7.1	1%	0.01	5%	0.048	C	C	.	.			trans	-113.3	-7.5	173.7	-54.9	176.9	0	0	0	111.9	V264 N268 F302 P309 F343 V359	V264-L339 HydrophobicContact CG1-CD1 4.35Å; V264-L339 HydrophobicContact CG1-CD2 4.31Å; N268-L339 HydrophobicContact CB-CD2 3.59Å; F302-L339 HydrophobicContact CE1-CD1 4.18Å; F302-L339 HydrophobicContact CZ-CD1 3.73Å; P309-L339 HydrophobicContact CG-CD1 3.93Å; L339-F343 HydrophobicContact CB-CD2 4.32Å; L339-F343 HydrophobicContact CB-CE2 4.5Å; L339-F343 VanDerWaalsContact O-CB 3.32Å; L339-F343 WeakPolarHBondContact O-CB 3.41Å; L339-F343 VanDerWaalsContact O-CD2 3.3Å; L339-F343 WeakPolarHBondContact O-CD2 3.38Å; L339-F343 PolarHBondContact O-N 3.16Å; L339-V359 HydrophobicContact CB-CG1 4.01Å
340	H	98.8	Very high	97.5	Very high	10 Å²	10	6.2 Å²	6.2	5%	0.046	3%	0.034	C	C	.	.	H	α-helix	trans	-66.8	-54.2	-161.8	-163.3	92.8	0	0	0	112.2	E342 F343 I344 M360 R363 Y404	H340-E342 PolarHBondContact O-N 2.9Å; H340-F343 PolarHBondContact O-N 2.77Å; H340-I344 WeakPolarHBondContact O-CG1 3.45Å; H340-I344 PolarHBondContact O-N 3.17Å; H340-M360 VanDerWaalsContact CE1-SD 3.58Å; H340-R363 PolarHBondContact CE1-NH1 3.37Å; H340-R363 PolarHBondContact NE2-NH1 2.97Å; H340-Y404 HydrophobicContact CB-CD2 4.04Å
341	M	98.5	Very high	97.1	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-60.2	-49.7	-172.9	-66.5	178.4	66.2	0	0	111.9	F343 I344 H345 Y404 K407 M411 V616 L624	M341-F343 PolarHBondContact O-N 2.61Å; M341-I344 PolarHBondContact O-N 2.94Å; M341-H345 PolarHBondContact O-CD2 3.41Å; M341-H345 VanDerWaalsContact O-CD2 3.32Å; M341-H345 PolarHBondContact O-N 3.36Å; M341-Y404 HydrophobicContact CB-CD2 4.43Å; M341-Y404 HydrophobicContact CB-CE2 3.92Å; M341-Y404 HydrophobicContact CG-CD2 3.97Å; M341-Y404 HydrophobicContact CG-CE2 3.85Å; M341-Y404 HydrophobicContact CG-CG 4.41Å; M341-Y404 HydrophobicContact SD-CD1 4.1Å; M341-Y404 HydrophobicContact SD-CD2 4.39Å; M341-Y404 HydrophobicContact SD-CE1 3.8Å; M341-Y404 HydrophobicContact SD-CE2 4.14Å; M341-Y404 HydrophobicContact SD-CG 4.4Å; M341-K407 HydrophobicContact CE-CB 4.31Å; M341-K407 HydrophobicContact SD-CB 3.57Å; M341-K407 VanDerWaalsContact SD-CB 3.57Å; M341-K407 HydrophobicContact SD-CD 4.13Å; M341-K407 HydrophobicContact SD-CG 4.49Å; M341-M411 HydrophobicContact CB-SD 3.76Å; M341-M411 HydrophobicContact CE-SD 4.08Å; M341-M411 HydrophobicContact CG-CE 4.46Å; M341-M411 HydrophobicContact CG-SD 3.82Å; M341-V616 HydrophobicContact CE-CB 3.76Å; M341-V616 HydrophobicContact CE-CG1 3.47Å; M341-V616 VanDerWaalsContact CE-CG1 3.47Å; M341-V616 HydrophobicContact SD-CG1 4.39Å; M341-L624 HydrophobicContact CB-CD1 4.12Å; M341-L624 HydrophobicContact CE-CD1 4.3Å
342	E	98.8	Very high	96.8	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-62.7	-44.4	-178	-59	77.4	-167.7	0	0	111.2	N268 I272 L276 H340 I344 H345 L346 Y404 N618	N268-E342 PolarHBondContact ND2-OE2 3.1Å; N268-E342 WeakPolarHBondContact OD1-CB 3.45Å; I272-E342 HydrophobicContact CB-CB 4.49Å; I272-E342 HydrophobicContact CG2-CB 3.85Å; I272-E342 HydrophobicContact CG2-CG 4.36Å; L276-E342 HydrophobicContact CD1-CB 4.22Å; H340-E342 PolarHBondContact O-N 2.9Å; E342-I344 VanDerWaalsContact C-N 3.35Å; E342-I344 PolarHBondContact O-N 3.36Å; E342-H345 PolarHBondContact O-N 3.31Å; E342-L346 WeakPolarHBondContact O-CB 3.28Å; E342-L346 VanDerWaalsContact O-CG 3.28Å; E342-L346 WeakPolarHBondContact O-CG 3.41Å; E342-L346 PolarHBondContact O-N 3.45Å; E342-Y404 PolarHBondContact OE1-OH 3.38Å; E342-Y404 WeakPolarHBondContact OE2-CE2 3.41Å; E342-N618 WeakPolarHBondContact OE1-CB 3.35Å; E342-N618 PolarHBondContact OE1-ND2 2.96Å
343	F	98.7	Very high	96.6	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-67.4	-33.3	179.1	-85.2	-125.2	0	0	0	112.7	N268 L299 F302 L339 H340 M341 L346 S347 Y355 K358 V359	N268-F343 WeakPolarHBondContact OD1-CD2 3.28Å; N268-F343 VanDerWaalsContact OD1-CE2 3.32Å; N268-F343 WeakPolarHBondContact OD1-CE2 3.31Å; L299-F343 HydrophobicContact CD2-CE1 4.48Å; F302-F343 AromaticContact CE2-CE1 3.59Å; F302-F343 HydrophobicContact CE2-CE1 3.59Å; F302-F343 AromaticContact CE2-CZ 3.69Å; F302-F343 HydrophobicContact CE2-CZ 3.69Å; F302-F343 HydrophobicContact CZ-CD1 4.37Å; F302-F343 AromaticContact CZ-CE1 3.59Å; F302-F343 HydrophobicContact CZ-CE1 3.59Å; F302-F343 AromaticContact CZ-CZ 3.81Å; F302-F343 HydrophobicContact CZ-CZ 3.81Å; L339-F343 HydrophobicContact CB-CD2 4.32Å; L339-F343 HydrophobicContact CB-CE2 4.5Å; L339-F343 VanDerWaalsContact O-CB 3.32Å; L339-F343 WeakPolarHBondContact O-CB 3.41Å; L339-F343 VanDerWaalsContact O-CD2 3.3Å; L339-F343 WeakPolarHBondContact O-CD2 3.38Å; L339-F343 PolarHBondContact O-N 3.16Å; H340-F343 PolarHBondContact O-N 2.77Å; M341-F343 PolarHBondContact O-N 2.61Å; F343-L346 HydrophobicContact CD2-CD1 4.28Å; F343-L346 PolarHBondContact O-N 3.44Å; F343-S347 PolarHBondContact O-N 3.17Å; F343-Y355 HydrophobicContact CD1-CD1 4.03Å; F343-Y355 HydrophobicContact CD1-CG 4.39Å; F343-Y355 HydrophobicContact CE1-CD1 4.05Å; F343-Y355 WeakPolarHBondContact O-CB 3.24Å; F343-K358 HydrophobicContact CD1-CB 4.4Å; F343-K358 HydrophobicContact CE1-CB 4.46Å; F343-V359 HydrophobicContact CB-CG1 3.6Å; F343-V359 HydrophobicContact CB-CG2 4.08Å; F343-V359 HydrophobicContact CD1-CG1 3.87Å; F343-V359 HydrophobicContact CG-CG1 3.76Å
344	I	97.9	Very high	96.5	Very high	20 Å²	20	17.2 Å²	17.2	10%	0.103	10%	0.104	C	C	.	.	H	α-helix	trans	-67	-45.9	173.8	-64.3	-66.2	0	0	0	110.4	H340 M341 E342 L346 S347 Y348 Y356 V359 M411 L627	H340-I344 WeakPolarHBondContact O-CG1 3.45Å; H340-I344 PolarHBondContact O-N 3.17Å; M341-I344 PolarHBondContact O-N 2.94Å; E342-I344 VanDerWaalsContact C-N 3.35Å; E342-I344 PolarHBondContact O-N 3.36Å; I344-L346 VanDerWaalsContact C-N 3.32Å; I344-L346 PolarHBondContact O-N 3.03Å; I344-S347 PolarHBondContact O-N 2.98Å; I344-Y348 PolarHBondContact O-N 3.16Å; I344-Y356 HydrophobicContact CD1-CD2 3.29Å; I344-Y356 HydrophobicContact CD1-CE2 3.85Å; I344-Y356 HydrophobicContact CD1-CG 4.23Å; I344-V359 HydrophobicContact CD1-CG2 4.14Å; I344-V359 HydrophobicContact CG1-CG2 4.41Å; I344-M411 HydrophobicContact CB-CE 3.67Å; I344-M411 HydrophobicContact CG1-CE 4.02Å; I344-M411 HydrophobicContact CG2-CE 3.6Å; I344-L627 HydrophobicContact CG2-CD1 3.82Å
345	H	97.5	Very high	96.5	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-62.4	-37.6	175.2	-83.3	-79.1	0	0	0	112.6	L276 Y280 M341 E342 Y348 L349 M411 L624 P625	L276-H345 HydrophobicContact CD1-CB 3.88Å; Y280-H345 AromaticContact CE2-ND1 3.59Å; Y280-H345 AromaticContact CZ-ND1 3.48Å; Y280-H345 PolarHBondContact OH-ND1 3.3Å; M341-H345 PolarHBondContact O-CD2 3.41Å; M341-H345 VanDerWaalsContact O-CD2 3.32Å; M341-H345 PolarHBondContact O-N 3.36Å; E342-H345 PolarHBondContact O-N 3.31Å; H345-Y348 WeakPolarHBondContact O-CB 3.3Å; H345-Y348 PolarHBondContact O-N 2.84Å; H345-L349 WeakPolarHBondContact O-CB 3.3Å; H345-L349 WeakPolarHBondContact O-CG 3.31Å; H345-L349 PolarHBondContact O-N 3.12Å; H345-M411 VanDerWaalsContact CD2-SD 3.52Å; H345-M411 PolarHBondContact NE2-SD 2.93Å; H345-M411 VanDerWaalsContact NE2-SD 3.37Å; H345-L624 WeakPolarHBondContact NE2-CB 3.29Å; H345-P625 PolarHBondContact CE1-O 2.77Å; H345-P625 PolarHBondContact NE2-O 2.87Å
346	L	97.3	Very high	96.4	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-60.7	-46.6	173	-75.3	163.5	0	0	0	111.7	I272 A291 V292 A295 E342 F343 I344 Y348 L349 T350 Y355	I272-L346 HydrophobicContact CD1-CD1 4.41Å; I272-L346 HydrophobicContact CG2-CD1 3.83Å; I272-L346 HydrophobicContact CG2-CD2 4.43Å; I272-L346 HydrophobicContact CG2-CG 4.23Å; A291-L346 HydrophobicContact CB-CD2 4.41Å; V292-L346 HydrophobicContact CG2-CD2 3.93Å; A295-L346 HydrophobicContact CB-CD1 3.39Å; A295-L346 HydrophobicContact CB-CD2 3.97Å; A295-L346 HydrophobicContact CB-CG 4.31Å; E342-L346 WeakPolarHBondContact O-CB 3.28Å; E342-L346 VanDerWaalsContact O-CG 3.28Å; E342-L346 WeakPolarHBondContact O-CG 3.41Å; E342-L346 PolarHBondContact O-N 3.45Å; F343-L346 HydrophobicContact CD2-CD1 4.28Å; F343-L346 PolarHBondContact O-N 3.44Å; I344-L346 VanDerWaalsContact C-N 3.32Å; I344-L346 PolarHBondContact O-N 3.03Å; L346-Y348 VanDerWaalsContact C-N 3.31Å; L346-Y348 PolarHBondContact O-N 3.08Å; L346-L349 PolarHBondContact O-N 3Å; L346-T350 VanDerWaalsContact O-CB 3.31Å; L346-T350 WeakPolarHBondContact O-CB 3.44Å; L346-T350 VanDerWaalsContact O-CG2 3.24Å; L346-T350 WeakPolarHBondContact O-CG2 3.49Å; L346-T350 PolarHBondContact O-N 3.38Å; L346-T350 PolarHBondContact O-OG1 3.49Å; L346-Y355 HydrophobicContact CB-CD1 4.37Å; L346-Y355 HydrophobicContact CB-CD2 3.74Å; L346-Y355 HydrophobicContact CB-CE2 4.17Å; L346-Y355 HydrophobicContact CB-CG 3.85Å; L346-Y355 HydrophobicContact CD1-CD1 4.21Å; L346-Y355 HydrophobicContact CD1-CE1 4.48Å; L346-Y355 HydrophobicContact CD1-CG 4.46Å
347	S	96.1	Very high	96.4	Very high	7 Å²	7	27 Å²	27	5%	0.049	14%	0.143	C	C	.	.	H	α-helix	trans	-62.4	-38.7	174.6	-85.3	0	0	0	0	112.6	F343 I344 G351 D352 Y355 Y356	F343-S347 PolarHBondContact O-N 3.17Å; I344-S347 PolarHBondContact O-N 2.98Å; S347-G351 VanDerWaalsContact O-CA 3.29Å; S347-G351 WeakPolarHBondContact O-CA 3.02Å; S347-G351 PolarHBondContact O-N 2.84Å; S347-D352 WeakPolarHBondContact CA-O 3.23Å; S347-D352 WeakPolarHBondContact CB-O 3.22Å; S347-D352 PolarHBondContact OG-O 2.92Å; S347-Y355 WeakPolarHBondContact OG-CB 3.46Å; S347-Y356 WeakPolarHBondContact OG-CB 3.5Å; S347-Y356 PolarHBondContact OG-N 3.16Å
348	Y	93.3	Very high	96.4	Very high	24 Å²	24	29.1 Å²	29.1	9%	0.094	15%	0.149	C	C	.	.	H	α-helix	trans	-62.2	-50.5	175.9	174.6	-101.9	0	0	0	111.9	V159 P160 P162 I344 H345 L346 L627 L629 T632	V159-Y348 HydrophobicContact CG1-CD1 4.13Å; V159-Y348 HydrophobicContact CG1-CE1 3.61Å; V159-Y348 HydrophobicContact CG1-CE2 4.16Å; P160-Y348 PolarHBondContact O-OH 2.99Å; P162-Y348 HydrophobicContact CG-CE1 4.18Å; I344-Y348 PolarHBondContact O-N 3.16Å; H345-Y348 WeakPolarHBondContact O-CB 3.3Å; H345-Y348 PolarHBondContact O-N 2.84Å; L346-Y348 VanDerWaalsContact C-N 3.31Å; L346-Y348 PolarHBondContact O-N 3.08Å; Y348-L627 HydrophobicContact CD1-CD2 3.87Å; Y348-L627 HydrophobicContact CD2-CD2 4.18Å; Y348-L627 HydrophobicContact CE1-CD2 3.96Å; Y348-L627 HydrophobicContact CE2-CD2 4.25Å; Y348-L627 HydrophobicContact CG-CD1 4.26Å; Y348-L627 HydrophobicContact CG-CD2 3.98Å; Y348-L629 HydrophobicContact CD2-CD2 4.49Å; Y348-T632 HydrophobicContact CE2-CG2 4.33Å
349	L	92.3	Very high	96.4	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.01	15%	0.15	C	C	.	.	H	α-helix	trans	-73.7	-26.4	-176	-68.7	179.3	0	0	0	114.3	V159 L276 Y279 Y280 K288 H345 L346	V159-L349 VanDerWaalsContact CG2-O 3.32Å; V159-L349 WeakPolarHBondContact CG2-O 3.39Å; L276-L349 HydrophobicContact CD2-CD1 3.53Å; Y279-L349 HydrophobicContact CD1-CD1 3.94Å; Y279-L349 HydrophobicContact CD1-CD2 4.44Å; Y279-L349 HydrophobicContact CE1-CD1 3.97Å; Y279-L349 HydrophobicContact CE1-CD2 3.7Å; Y279-L349 HydrophobicContact CE1-CG 4.5Å; Y280-L349 HydrophobicContact CE1-CD2 4.13Å; Y280-L349 WeakPolarHBondContact OH-CD1 3.29Å; Y280-L349 WeakPolarHBondContact OH-CD2 3.25Å; Y280-L349 WeakPolarHBondContact OH-CG 3.47Å; K288-L349 HydrophobicContact CD-CB 4.39Å; K288-L349 HydrophobicContact CD-CD1 4.34Å; K288-L349 HydrophobicContact CG-CD1 4.32Å; H345-L349 WeakPolarHBondContact O-CB 3.3Å; H345-L349 WeakPolarHBondContact O-CG 3.31Å; H345-L349 PolarHBondContact O-N 3.12Å; L346-L349 PolarHBondContact O-N 3Å
350	T	91.6	Very high	96.3	Very high	18 Å²	18	30.2 Å²	30.2	11%	0.11	15%	0.154	C	C	.	.	H	α-helix	trans	-99.7	-21.2	-177.9	62.2	0	0	0	0	113.3	L156 P157 V292 L346 D352 Y355	L156-T350 HydrophobicContact CD2-CG2 4Å; P157-T350 WeakPolarHBondContact CG-O 3.3Å; V292-T350 HydrophobicContact CB-CG2 4.36Å; V292-T350 HydrophobicContact CG1-CG2 4.01Å; V292-T350 HydrophobicContact CG2-CG2 3.34Å; L346-T350 VanDerWaalsContact O-CB 3.31Å; L346-T350 WeakPolarHBondContact O-CB 3.44Å; L346-T350 VanDerWaalsContact O-CG2 3.24Å; L346-T350 WeakPolarHBondContact O-CG2 3.49Å; L346-T350 PolarHBondContact O-N 3.38Å; L346-T350 PolarHBondContact O-OG1 3.49Å; T350-D352 PolarHBondContact O-N 3.03Å; T350-D352 PolarHBondContact OG1-N 3.01Å; T350-D352 VanDerWaalsContact OG1-N 3.09Å; T350-Y355 HydrophobicContact CG2-CE2 4.39Å
351	G	89.8	Confident	96.3	Very high	47 Å²	47	33.8 Å²	33.8	49%	0.485	17%	0.171	S	C	.	.			trans	69.8	-2.1	-165.5	0	0	0	0	0	114.2	S347 L353	S347-G351 VanDerWaalsContact O-CA 3.29Å; S347-G351 WeakPolarHBondContact O-CA 3.02Å; S347-G351 PolarHBondContact O-N 2.84Å; G351-L353 PolarHBondContact O-N 3.2Å
352	D	92	Very high	96.3	Very high	57 Å²	57	34 Å²	34	31%	0.305	17%	0.172	S	C	.	.			trans	-84.2	111.8	178.1	-168.9	-16.2	0	0	0	110.3	S347 T350 I354 Y355	S347-D352 WeakPolarHBondContact CA-O 3.23Å; S347-D352 WeakPolarHBondContact CB-O 3.22Å; S347-D352 PolarHBondContact OG-O 2.92Å; T350-D352 PolarHBondContact O-N 3.03Å; T350-D352 PolarHBondContact OG1-N 3.01Å; T350-D352 VanDerWaalsContact OG1-N 3.09Å; D352-I354 HydrophobicContact CB-CG2 4.34Å; D352-I354 VanDerWaalsContact CG-CG2 3.42Å; D352-I354 PolarHBondContact O-N 2.89Å; D352-I354 VanDerWaalsContact O-N 3.15Å; D352-I354 WeakPolarHBondContact OD1-CB 3.43Å; D352-I354 VanDerWaalsContact OD1-CG2 3.28Å; D352-I354 WeakPolarHBondContact OD1-CG2 3.46Å; D352-I354 PolarHBondContact OD1-N 3.28Å; D352-I354 WeakPolarHBondContact OD2-CG2 3.13Å; D352-Y355 HydrophobicContact CB-CE2 4.32Å
353	L	95.3	Very high	96.2	Very high	76 Å²	76	34.5 Å²	34.5	40%	0.398	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-0.7	179.8	-63.2	-179.8	0	0	0	113.8	G351 Y355 K357	G351-L353 PolarHBondContact O-N 3.2Å; L353-Y355 VanDerWaalsContact C-N 3.32Å; L353-Y355 PolarHBondContact O-N 2.89Å; L353-K357 HydrophobicContact CB-CD 4.4Å; L353-K357 VanDerWaalsContact O-CB 3.32Å; L353-K357 WeakPolarHBondContact O-CB 3.41Å; L353-K357 WeakPolarHBondContact O-CD 3.13Å; L353-K357 WeakPolarHBondContact O-CG 3.45Å; L353-K357 PolarHBondContact O-N 3.11Å
354	I	97.5	Very high	96.1	Very high	55 Å²	55	39.9 Å²	39.9	28%	0.282	20%	0.197	S	C	.	.	H	α-helix	trans	-58	-44.7	178.6	-166.9	164.7	0	0	0	111.7	L299 D352 K357 K358	L299-I354 HydrophobicContact CD1-CD1 3.92Å; L299-I354 HydrophobicContact CD1-CG2 4.37Å; L299-I354 HydrophobicContact CD2-CD1 4.29Å; L299-I354 HydrophobicContact CD2-CG1 4.18Å; L299-I354 HydrophobicContact CD2-CG2 4.47Å; D352-I354 HydrophobicContact CB-CG2 4.34Å; D352-I354 VanDerWaalsContact CG-CG2 3.42Å; D352-I354 PolarHBondContact O-N 2.89Å; D352-I354 VanDerWaalsContact O-N 3.15Å; D352-I354 WeakPolarHBondContact OD1-CB 3.43Å; D352-I354 VanDerWaalsContact OD1-CG2 3.28Å; D352-I354 WeakPolarHBondContact OD1-CG2 3.46Å; D352-I354 PolarHBondContact OD1-N 3.28Å; D352-I354 WeakPolarHBondContact OD2-CG2 3.13Å; I354-K357 PolarHBondContact O-N 3.2Å; I354-K358 WeakPolarHBondContact O-CG 3.49Å; I354-K358 PolarHBondContact O-N 3.35Å
355	Y	98	Very high	96	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.008	20%	0.2	C	C	.	.	H	α-helix	trans	-64.4	-51.7	-177.9	-51	-72.4	0	0	0	111	A295 E296 L299 F343 L346 S347 T350 D352 L353 K357 K358 V359	A295-Y355 HydrophobicContact CB-CD1 4.27Å; A295-Y355 HydrophobicContact CB-CE1 3.57Å; E296-Y355 WeakPolarHBondContact CG-OH 3.49Å; L299-Y355 HydrophobicContact CD1-CE1 4.25Å; L299-Y355 HydrophobicContact CD2-CD1 4.02Å; L299-Y355 HydrophobicContact CD2-CE1 4.03Å; L299-Y355 HydrophobicContact CG-CE1 4.22Å; F343-Y355 HydrophobicContact CD1-CD1 4.03Å; F343-Y355 HydrophobicContact CD1-CG 4.39Å; F343-Y355 HydrophobicContact CE1-CD1 4.05Å; F343-Y355 WeakPolarHBondContact O-CB 3.24Å; L346-Y355 HydrophobicContact CB-CD1 4.37Å; L346-Y355 HydrophobicContact CB-CD2 3.74Å; L346-Y355 HydrophobicContact CB-CE2 4.17Å; L346-Y355 HydrophobicContact CB-CG 3.85Å; L346-Y355 HydrophobicContact CD1-CD1 4.21Å; L346-Y355 HydrophobicContact CD1-CE1 4.48Å; L346-Y355 HydrophobicContact CD1-CG 4.46Å; S347-Y355 WeakPolarHBondContact OG-CB 3.46Å; T350-Y355 HydrophobicContact CG2-CE2 4.39Å; D352-Y355 HydrophobicContact CB-CE2 4.32Å; L353-Y355 VanDerWaalsContact C-N 3.32Å; L353-Y355 PolarHBondContact O-N 2.89Å; Y355-K357 VanDerWaalsContact C-N 3.33Å; Y355-K357 PolarHBondContact O-N 2.95Å; Y355-K358 PolarHBondContact O-N 3Å; Y355-K358 VanDerWaalsContact O-N 3.13Å; Y355-V359 PolarHBondContact O-N 3.44Å
356	Y	97.3	Very high	96	Very high	102 Å²	102	40.4 Å²	40.4	40%	0.4	20%	0.2	S	C	.	.	H	α-helix	trans	-49.5	-51	171.4	175.7	-89.8	0	0	0	112	I344 S347 K358 V359 M360	I344-Y356 HydrophobicContact CD1-CD2 3.29Å; I344-Y356 HydrophobicContact CD1-CE2 3.85Å; I344-Y356 HydrophobicContact CD1-CG 4.23Å; S347-Y356 WeakPolarHBondContact OG-CB 3.5Å; S347-Y356 PolarHBondContact OG-N 3.16Å; Y356-K358 VanDerWaalsContact C-N 3.29Å; Y356-K358 PolarHBondContact O-N 3.3Å; Y356-V359 WeakPolarHBondContact O-CG2 3.31Å; Y356-V359 PolarHBondContact O-N 2.83Å; Y356-M360 HydrophobicContact CD1-CG 4.02Å; Y356-M360 HydrophobicContact CD2-CG 4.12Å; Y356-M360 HydrophobicContact CE1-CB 4.38Å; Y356-M360 HydrophobicContact CE1-CG 3.65Å; Y356-M360 HydrophobicContact CE2-CG 3.72Å; Y356-M360 HydrophobicContact CE2-SD 4.24Å; Y356-M360 HydrophobicContact CG-CG 4.23Å; Y356-M360 VanDerWaalsContact CZ-CG 3.47Å; Y356-M360 WeakPolarHBondContact O-CB 3.44Å; Y356-M360 VanDerWaalsContact O-CG 3.29Å; Y356-M360 WeakPolarHBondContact O-CG 3.37Å; Y356-M360 PolarHBondContact O-N 2.61Å
357	K	98.2	Very high	95.9	Very high	134 Å²	134	44.5 Å²	44.5	58%	0.583	22%	0.219	S	C	*	.	H	α-helix	trans	-61	-37.2	-178	-75.5	169.6	-177.3	175.5	0	112.2	L353 I354 Y355 H361	L353-K357 HydrophobicContact CB-CD 4.4Å; L353-K357 VanDerWaalsContact O-CB 3.32Å; L353-K357 WeakPolarHBondContact O-CB 3.41Å; L353-K357 WeakPolarHBondContact O-CD 3.13Å; L353-K357 WeakPolarHBondContact O-CG 3.45Å; L353-K357 PolarHBondContact O-N 3.11Å; I354-K357 PolarHBondContact O-N 3.2Å; Y355-K357 VanDerWaalsContact C-N 3.33Å; Y355-K357 PolarHBondContact O-N 2.95Å; K357-H361 VanDerWaalsContact O-CB 3.25Å; K357-H361 WeakPolarHBondContact O-CB 3.11Å; K357-H361 PolarHBondContact O-N 3.26Å; K357-H361 VanDerWaalsContact O-N 3.07Å
358	K	98.5	Very high	95.8	Very high	55 Å²	55	52.7 Å²	52.7	24%	0.239	25%	0.254	C	S	.	.	H	α-helix	trans	-63.4	-51.2	178.5	-69.6	-53.4	-172.8	173.1	0	111.8	L299 F302 F343 I354 Y355 Y356 H361 I362	L299-K358 HydrophobicContact CD2-CG 4.33Å; F302-K358 HydrophobicContact CB-CD 3.77Å; F302-K358 HydrophobicContact CB-CG 4.49Å; F302-K358 HydrophobicContact CD1-CB 3.86Å; F302-K358 HydrophobicContact CD1-CD 4.01Å; F302-K358 HydrophobicContact CD1-CG 4.13Å; F302-K358 HydrophobicContact CD2-CD 4.48Å; F302-K358 HydrophobicContact CD2-CG 4.31Å; F302-K358 HydrophobicContact CE1-CB 3.75Å; F302-K358 HydrophobicContact CE1-CG 4.4Å; F302-K358 HydrophobicContact CG-CB 4.29Å; F302-K358 HydrophobicContact CG-CD 3.85Å; F302-K358 HydrophobicContact CG-CG 4.07Å; F302-K358 HydrophobicContact CZ-CB 4.12Å; F343-K358 HydrophobicContact CD1-CB 4.4Å; F343-K358 HydrophobicContact CE1-CB 4.46Å; I354-K358 WeakPolarHBondContact O-CG 3.49Å; I354-K358 PolarHBondContact O-N 3.35Å; Y355-K358 PolarHBondContact O-N 3Å; Y355-K358 VanDerWaalsContact O-N 3.13Å; Y356-K358 VanDerWaalsContact C-N 3.29Å; Y356-K358 PolarHBondContact O-N 3.3Å; K358-H361 WeakPolarHBondContact O-CB 3.43Å; K358-H361 PolarHBondContact O-N 3.41Å; K358-I362 PolarHBondContact O-N 3.31Å
359	V	98.3	Very high	95.9	Very high	4 Å²	4	53 Å²	53	2%	0.024	26%	0.256	C	S	.	.	H	α-helix	trans	-75.7	-31.5	-176	-63	0	0	0	0	113.1	L339 F343 I344 Y355 Y356 H361 I362 R363	L339-V359 HydrophobicContact CB-CG1 4.01Å; F343-V359 HydrophobicContact CB-CG1 3.6Å; F343-V359 HydrophobicContact CB-CG2 4.08Å; F343-V359 HydrophobicContact CD1-CG1 3.87Å; F343-V359 HydrophobicContact CG-CG1 3.76Å; I344-V359 HydrophobicContact CD1-CG2 4.14Å; I344-V359 HydrophobicContact CG1-CG2 4.41Å; Y355-V359 PolarHBondContact O-N 3.44Å; Y356-V359 WeakPolarHBondContact O-CG2 3.31Å; Y356-V359 PolarHBondContact O-N 2.83Å; V359-H361 VanDerWaalsContact C-N 3.31Å; V359-H361 PolarHBondContact O-N 3.05Å; V359-I362 PolarHBondContact O-N 3.46Å; V359-R363 PolarHBondContact O-N 3.34Å
360	M	97.8	Very high	95.9	Very high	20 Å²	20	59.8 Å²	59.8	10%	0.099	29%	0.293	C	S	.	.	H	α-helix	trans	-68.5	-31.7	171.9	-69.7	-55.4	-68.7	0	0	112.6	H340 Y356 I362 R363 K364	H340-M360 VanDerWaalsContact CE1-SD 3.58Å; Y356-M360 HydrophobicContact CD1-CG 4.02Å; Y356-M360 HydrophobicContact CD2-CG 4.12Å; Y356-M360 HydrophobicContact CE1-CB 4.38Å; Y356-M360 HydrophobicContact CE1-CG 3.65Å; Y356-M360 HydrophobicContact CE2-CG 3.72Å; Y356-M360 HydrophobicContact CE2-SD 4.24Å; Y356-M360 HydrophobicContact CG-CG 4.23Å; Y356-M360 VanDerWaalsContact CZ-CG 3.47Å; Y356-M360 WeakPolarHBondContact O-CB 3.44Å; Y356-M360 VanDerWaalsContact O-CG 3.29Å; Y356-M360 WeakPolarHBondContact O-CG 3.37Å; Y356-M360 PolarHBondContact O-N 2.61Å; M360-I362 VanDerWaalsContact C-N 3.34Å; M360-R363 PolarHBondContact O-N 2.92Å; M360-K364 WeakPolarHBondContact O-CG 3.32Å; M360-K364 PolarHBondContact O-N 3.28Å
361	H	98.3	Very high	96	Very high	85 Å²	85	62.5 Å²	62.5	39%	0.394	30%	0.301	S	S	.	.	H	α-helix	trans	-63.7	-40.3	174.7	-179	77.2	0	0	0	111.8	T306 K357 K358 V359 R363 K364 L365	T306-H361 PolarHBondContact O-CD2 3.16Å; T306-H361 PolarHBondContact O-NE2 3.36Å; K357-H361 VanDerWaalsContact O-CB 3.25Å; K357-H361 WeakPolarHBondContact O-CB 3.11Å; K357-H361 PolarHBondContact O-N 3.26Å; K357-H361 VanDerWaalsContact O-N 3.07Å; K358-H361 WeakPolarHBondContact O-CB 3.43Å; K358-H361 PolarHBondContact O-N 3.41Å; V359-H361 VanDerWaalsContact C-N 3.31Å; V359-H361 PolarHBondContact O-N 3.05Å; H361-R363 PolarHBondContact O-N 3.31Å; H361-K364 PolarHBondContact O-N 3.21Å; H361-L365 WeakPolarHBondContact O-CB 3.37Å; H361-L365 PolarHBondContact O-N 3.2Å
362	I	98.4	Very high	96.1	Very high	6 Å²	6	62.1 Å²	62.1	3%	0.031	29%	0.29	C	S	.	.	H	α-helix	trans	-56.9	-50.4	174.1	-63.6	175.1	0	0	0	110.4	F302 I308 P309 F336 K358 V359 M360 K364 L365 L366	F302-I362 HydrophobicContact CE1-CD1 4.04Å; I308-I362 HydrophobicContact CD1-CB 4.4Å; I308-I362 HydrophobicContact CD1-CG1 4.14Å; I308-I362 HydrophobicContact CD1-CG2 4.09Å; P309-I362 HydrophobicContact CG-CD1 4.27Å; F336-I362 HydrophobicContact CB-CD1 4.37Å; F336-I362 HydrophobicContact CD2-CG2 3.78Å; F336-I362 HydrophobicContact CE2-CG2 4.27Å; F336-I362 WeakPolarHBondContact O-CD1 3.29Å; K358-I362 PolarHBondContact O-N 3.31Å; V359-I362 PolarHBondContact O-N 3.46Å; M360-I362 VanDerWaalsContact C-N 3.34Å; I362-K364 PolarHBondContact O-N 3.09Å; I362-L365 PolarHBondContact O-N 3.45Å; I362-L366 HydrophobicContact CG2-CD1 3.95Å; I362-L366 HydrophobicContact CG2-CG 4.39Å; I362-L366 WeakPolarHBondContact O-CG 3.24Å; I362-L366 PolarHBondContact O-N 2.89Å
363	R	95.7	Very high	96	Very high	10 Å²	10	63.5 Å²	63.5	4%	0.038	30%	0.298	C	S	.	.	H	α-helix	trans	-58.7	-50.9	178.7	-74.6	-164.4	171.5	148.9	6.2	112.5	H340 V359 M360 H361 L365 L366 Q367 Y404 D416	H340-R363 PolarHBondContact CE1-NH1 3.37Å; H340-R363 PolarHBondContact NE2-NH1 2.97Å; V359-R363 PolarHBondContact O-N 3.34Å; M360-R363 PolarHBondContact O-N 2.92Å; H361-R363 PolarHBondContact O-N 3.31Å; R363-L365 PolarHBondContact O-N 3.48Å; R363-L366 PolarHBondContact O-N 3.02Å; R363-L366 VanDerWaalsContact O-N 3.12Å; R363-Q367 WeakPolarHBondContact O-CG 3.27Å; R363-Q367 PolarHBondContact O-N 3.18Å; R363-Y404 PolarHBondContact NH2-O 2.94Å; R363-D416 IonicContact CZ-OD2 3.99Å; R363-D416 IonicContact NH1-OD2 2.82Å; R363-D416 PolarHBondContact NH1-OD2 3.24Å
364	K	96.4	Very high	96	Very high	112 Å²	112	61 Å²	61	49%	0.487	29%	0.29	S	S	.	.	H	α-helix	trans	-58.3	-34.5	178.9	-73.5	177.1	-179	-177.8	0	112.7	M360 H361 I362 K368	M360-K364 WeakPolarHBondContact O-CG 3.32Å; M360-K364 PolarHBondContact O-N 3.28Å; H361-K364 PolarHBondContact O-N 3.21Å; I362-K364 PolarHBondContact O-N 3.09Å; K364-K368 WeakPolarHBondContact O-CG 3.47Å
365	L	97.1	Very high	96	Very high	31 Å²	31	58.6 Å²	58.6	16%	0.162	28%	0.278	C	S	.	.	H	α-helix	trans	-68.5	-54.4	174.6	-171.9	154.3	0	0	0	110	T306 I308 H361 I362 R363 Q367 K368 M369 L380	T306-L365 WeakPolarHBondContact O-CD1 3.36Å; I308-L365 HydrophobicContact CD1-CD1 4.29Å; I308-L365 HydrophobicContact CD1-CD2 4.28Å; I308-L365 HydrophobicContact CG1-CD1 4.14Å; I308-L365 HydrophobicContact CG1-CD2 4.48Å; H361-L365 WeakPolarHBondContact O-CB 3.37Å; H361-L365 PolarHBondContact O-N 3.2Å; I362-L365 PolarHBondContact O-N 3.45Å; R363-L365 PolarHBondContact O-N 3.48Å; L365-Q367 VanDerWaalsContact C-N 3.25Å; L365-Q367 PolarHBondContact O-N 3.33Å; L365-K368 PolarHBondContact O-N 3.45Å; L365-M369 HydrophobicContact CD2-CG 3.99Å; L365-M369 HydrophobicContact CD2-SD 3.43Å; L365-M369 WeakPolarHBondContact CD2-SD 3.48Å; L365-M369 WeakPolarHBondContact O-CG 3.34Å; L365-M369 PolarHBondContact O-N 3.37Å; L365-L380 HydrophobicContact CD2-CD2 4.08Å
366	L	97.3	Very high	96	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-57.6	-35.3	-177.7	-70.6	175.8	0	0	0	113.5	F336 I362 R363 K368 M369 Y376 L380 W387 F401 M422	F336-L366 HydrophobicContact CE2-CD1 4.17Å; F336-L366 HydrophobicContact CE2-CD2 4.19Å; I362-L366 HydrophobicContact CG2-CD1 3.95Å; I362-L366 HydrophobicContact CG2-CG 4.39Å; I362-L366 WeakPolarHBondContact O-CG 3.24Å; I362-L366 PolarHBondContact O-N 2.89Å; R363-L366 PolarHBondContact O-N 3.02Å; R363-L366 VanDerWaalsContact O-N 3.12Å; L366-K368 VanDerWaalsContact C-N 3.31Å; L366-K368 PolarHBondContact O-N 3.48Å; L366-M369 HydrophobicContact CD2-SD 4.36Å; L366-M369 PolarHBondContact O-N 3.48Å; L366-Y376 HydrophobicContact CB-CE1 4.45Å; L366-L380 HydrophobicContact CD2-CD2 3.94Å; L366-W387 HydrophobicContact CD2-CH2 3.6Å; L366-W387 HydrophobicContact CD2-CZ2 4.28Å; L366-W387 HydrophobicContact CD2-CZ3 4.4Å; L366-F401 HydrophobicContact CD1-CD2 4.5Å; L366-F401 HydrophobicContact CD1-CE2 3.6Å; L366-F401 HydrophobicContact CD1-CZ 4.05Å; L366-M422 HydrophobicContact CB-CE 4.47Å
367	Q	94.4	Very high	96	Very high	86 Å²	86	53.8 Å²	53.8	40%	0.402	26%	0.259	S	S	.	.	H	α-helix	trans	-66	-31.7	177.1	-74.9	-173	-24.8	0	0	114.4	R363 L365 M369 E418 M422	R363-Q367 WeakPolarHBondContact O-CG 3.27Å; R363-Q367 PolarHBondContact O-N 3.18Å; L365-Q367 VanDerWaalsContact C-N 3.25Å; L365-Q367 PolarHBondContact O-N 3.33Å; Q367-M369 VanDerWaalsContact C-N 3.25Å; Q367-E418 PolarHBondContact NE2-OE1 2.93Å; Q367-E418 PolarHBondContact NE2-OE2 3.49Å; Q367-E418 PolarHBondContact OE1-OE2 2.96Å; Q367-M422 HydrophobicContact CG-CE 4.13Å; Q367-M422 HydrophobicContact CG-CG 4.3Å; Q367-M422 HydrophobicContact CG-SD 3.66Å
368	K	94.4	Very high	96	Very high	180 Å²	180	47.7 Å²	47.7	78%	0.783	23%	0.232	S	C	*	.	H	α-helix	trans	-81.7	-10.2	178.9	-67.1	175.5	-176.9	-177.6	0	112.2	K364 L365 L366	K364-K368 WeakPolarHBondContact O-CG 3.47Å; L365-K368 PolarHBondContact O-N 3.45Å; L366-K368 VanDerWaalsContact C-N 3.31Å; L366-K368 PolarHBondContact O-N 3.48Å
369	M	94.7	Very high	95.9	Very high	29 Å²	29	46 Å²	46	14%	0.143	23%	0.225	C	C	.	.	S	Bend	trans	-85	139.8	-179.1	-63.8	-169.5	72.8	0	0	111.1	L365 L366 Q367 R371 L380 G385 W387	L365-M369 HydrophobicContact CD2-CG 3.99Å; L365-M369 HydrophobicContact CD2-SD 3.43Å; L365-M369 WeakPolarHBondContact CD2-SD 3.48Å; L365-M369 WeakPolarHBondContact O-CG 3.34Å; L365-M369 PolarHBondContact O-N 3.37Å; L366-M369 HydrophobicContact CD2-SD 4.36Å; L366-M369 PolarHBondContact O-N 3.48Å; Q367-M369 VanDerWaalsContact C-N 3.25Å; M369-R371 PolarHBondContact O-N 3.09Å; M369-L380 HydrophobicContact CE-CD1 3.5Å; M369-L380 VanDerWaalsContact CE-CD1 3.5Å; M369-L380 HydrophobicContact SD-CD1 3.7Å; M369-L380 HydrophobicContact SD-CD2 4.11Å; M369-G385 WeakPolarHBondContact CE-O 3.4Å; M369-W387 HydrophobicContact CB-CZ2 4.11Å; M369-W387 HydrophobicContact CE-CD2 3.77Å; M369-W387 VanDerWaalsContact CE-CE2 3.5Å; M369-W387 HydrophobicContact CE-CE3 4.45Å; M369-W387 HydrophobicContact CE-CG 3.99Å; M369-W387 HydrophobicContact CE-CZ2 3.98Å; M369-W387 HydrophobicContact SD-CH2 4.29Å; M369-W387 HydrophobicContact SD-CZ2 3.85Å
370	D	93.1	Very high	95.9	Very high	146 Å²	146	45.9 Å²	45.9	78%	0.781	22%	0.224	S	C	*	.			trans	-64.3	135.4	168.5	-67.7	-35.3	0	0	0	110.3	W387	D370-W387 PolarHBondContact O-NE1 3.41Å
371	R	93.3	Very high	95.9	Very high	75 Å²	75	46.1 Å²	46.1	28%	0.283	23%	0.226	S	C	.	.			trans	-108.6	107.6	179.3	-64.9	-179.6	-64.6	174.6	2.9	109.3	M369 N373 G374 Y376 D425	M369-R371 PolarHBondContact O-N 3.09Å; R371-N373 PolarHBondContact O-N 2.75Å; R371-G374 PolarHBondContact O-N 2.99Å; R371-Y376 WeakPolarHBondContact CD-OH 3.36Å; R371-Y376 HydrophobicContact CG-CE1 4.3Å; R371-Y376 PolarHBondContact NH1-OH 3.45Å; R371-D425 IonicContact NH2-OD2 3.85Å
372	P	91.6	Very high	95.9	Very high	38 Å²	38	42 Å²	42	25%	0.247	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-60.8	122.2	179.5	22.8	-30.1	0	0	0	110.1	G374 L375 P377 Y390	P372-G374 PolarHBondContact O-N 2.83Å; P372-L375 WeakPolarHBondContact O-CB 3.48Å; P372-L375 PolarHBondContact O-N 3.16Å; P372-P377 HydrophobicContact CG-CG 3.77Å; P372-Y390 HydrophobicContact CB-CD2 4.27Å; P372-Y390 HydrophobicContact CB-CE2 4.46Å; P372-Y390 HydrophobicContact CG-CD1 4.49Å; P372-Y390 HydrophobicContact CG-CD2 4.23Å; P372-Y390 HydrophobicContact CG-CG 4.22Å
373	N	91.3	Very high	95.8	Very high	87 Å²	87	49.5 Å²	49.5	47%	0.465	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	57	23.1	-173	-55.9	-38.1	0	0	0	114.7	R371 L375 H433	R371-N373 PolarHBondContact O-N 2.75Å; N373-L375 PolarHBondContact O-N 3.44Å; N373-H433 PolarHBondContact O-CD2 3.37Å; N373-H433 PolarHBondContact O-NE2 3.1Å
374	G	94.9	Very high	95.8	Very high	23 Å²	23	53 Å²	53	24%	0.237	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	72.8	-0.2	-172.7	0	0	0	0	0	114.3	R371 P372 A429	R371-G374 PolarHBondContact O-N 2.99Å; P372-G374 PolarHBondContact O-N 2.83Å; G374-A429 WeakPolarHBondContact O-CB 3.4Å
375	L	96.9	Very high	95.8	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.021	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-88	149.9	179.4	-64.2	177.4	0	0	0	111.1	P372 N373 P377 T392 A429 I430 H433 L434 W448	P372-L375 WeakPolarHBondContact O-CB 3.48Å; P372-L375 PolarHBondContact O-N 3.16Å; N373-L375 PolarHBondContact O-N 3.44Å; L375-P377 WeakPolarHBondContact O-CD 3.32Å; L375-T392 HydrophobicContact CB-CG2 4.06Å; L375-T392 HydrophobicContact CD1-CG2 4.4Å; L375-T392 HydrophobicContact CD2-CG2 4.31Å; L375-T392 HydrophobicContact CG-CG2 4.49Å; L375-A429 HydrophobicContact CD2-CB 3.96Å; L375-I430 HydrophobicContact CD2-CG1 4.33Å; L375-H433 HydrophobicContact CD1-CB 3.98Å; L375-H433 HydrophobicContact CD2-CB 4.45Å; L375-H433 HydrophobicContact CG-CB 4.49Å; L375-L434 HydrophobicContact CD1-CD2 4.31Å; L375-L434 HydrophobicContact CD2-CD1 4.25Å; L375-L434 HydrophobicContact CD2-CG 4.35Å; L375-W448 HydrophobicContact CD1-CB 4.28Å; L375-W448 HydrophobicContact CD1-CD2 4.49Å; L375-W448 HydrophobicContact CD1-CG 4.27Å
376	Y	97.6	Very high	95.7	Very high	4 Å²	4	56.1 Å²	56.1	2%	0.016	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-91.8	119.9	172.9	-70.2	-95.5	0	0	0	109.8	L333 L366 R371 W387 T392 F401 Y402 A426	L333-Y376 HydrophobicContact CD2-CG 4.49Å; L366-Y376 HydrophobicContact CB-CE1 4.45Å; R371-Y376 WeakPolarHBondContact CD-OH 3.36Å; R371-Y376 HydrophobicContact CG-CE1 4.3Å; R371-Y376 PolarHBondContact NH1-OH 3.45Å; Y376-W387 HydrophobicContact CD1-CH2 4.17Å; Y376-W387 HydrophobicContact CD1-CZ2 4.43Å; Y376-T392 VanDerWaalsContact O-CG2 3.31Å; Y376-T392 WeakPolarHBondContact O-CG2 3.5Å; Y376-T392 PolarHBondContact O-OG1 3.3Å; Y376-F401 AromaticContact CD1-CE1 3.83Å; Y376-F401 HydrophobicContact CD1-CE1 3.83Å; Y376-F401 AromaticContact CD1-CZ 3.89Å; Y376-F401 HydrophobicContact CD1-CZ 3.89Å; Y376-F401 AromaticContact CD2-CE1 3.81Å; Y376-F401 HydrophobicContact CD2-CE1 3.81Å; Y376-F401 HydrophobicContact CD2-CZ 4.45Å; Y376-F401 HydrophobicContact CE1-CE1 4.05Å; Y376-F401 AromaticContact CE1-CZ 3.75Å; Y376-F401 HydrophobicContact CE1-CZ 3.75Å; Y376-F401 HydrophobicContact CE2-CE1 4.02Å; Y376-F401 HydrophobicContact CE2-CZ 4.32Å; Y376-F401 AromaticContact CG-CE1 3.7Å; Y376-F401 HydrophobicContact CG-CE1 3.7Å; Y376-F401 HydrophobicContact CG-CZ 4.24Å; Y376-F401 AromaticContact CZ-CZ 3.97Å; Y376-Y402 HydrophobicContact CD2-CE1 4.04Å; Y376-A426 HydrophobicContact CD2-CB 4.4Å; Y376-A426 HydrophobicContact CE2-CB 4.01Å
377	P	97.3	Very high	95.6	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-66	143.9	169.1	-24.1	36.6	0	0	0	112	P372 L375 Y379 W387 Y390 H391	P372-P377 HydrophobicContact CG-CG 3.77Å; L375-P377 WeakPolarHBondContact O-CD 3.32Å; P377-Y379 PolarHBondContact O-N 3.05Å; P377-W387 HydrophobicContact CB-CB 4.38Å; P377-W387 HydrophobicContact CB-CD2 4.03Å; P377-W387 HydrophobicContact CB-CE3 3.78Å; P377-W387 HydrophobicContact CB-CG 4.29Å; P377-W387 HydrophobicContact CB-CZ3 4.37Å; P377-W387 HydrophobicContact CG-CB 4.2Å; P377-W387 HydrophobicContact CG-CD2 3.73Å; P377-W387 HydrophobicContact CG-CE3 3.99Å; P377-W387 HydrophobicContact CG-CG 3.81Å; P377-W387 VanDerWaalsContact O-CZ3 3.3Å; P377-W387 WeakPolarHBondContact O-CZ3 3.36Å; P377-Y390 HydrophobicContact CB-CD1 4.47Å; P377-Y390 HydrophobicContact CG-CD1 4.09Å; P377-H391 CarbonylContact C-O 3.58Å; P377-H391 WeakPolarHBondContact CA-O 3.5Å
378	N	97.9	Very high	95.6	Very high	5 Å²	5	54.3 Å²	54.3	3%	0.027	27%	0.265	C	S	.	.	S	Bend	trans	-74.7	-5.2	-176.2	-67.7	1.9	0	0	0	113.9	I332 L333 H391 S393 L397	I332-N378 WeakPolarHBondContact CA-O 3.21Å; L333-N378 PolarHBondContact N-O 3.24Å; N378-H391 PolarHBondContact N-O 3.24Å; N378-S393 PolarHBondContact ND2-N 2.65Å; N378-L397 HydrophobicContact CB-CB 3.99Å
379	Y	98.1	Very high	95.5	Very high	21 Å²	21	50.4 Å²	50.4	8%	0.082	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	119.3	-174.1	-62	-78.6	0	0	0	111.1	W325 A326 I332 P377 W387 G388 Q389 H391 L397	W325-Y379 HydrophobicContact CZ3-CE1 4.19Å; A326-Y379 HydrophobicContact CB-CE1 4.45Å; I332-Y379 HydrophobicContact CD1-CD1 3.55Å; I332-Y379 HydrophobicContact CD1-CE1 3.37Å; P377-Y379 PolarHBondContact O-N 3.05Å; Y379-W387 WeakPolarHBondContact O-CA 3.37Å; Y379-G388 PolarHBondContact O-N 2.9Å; Y379-Q389 HydrophobicContact CD2-CB 4.35Å; Y379-H391 HydrophobicContact CE2-CB 4.24Å; Y379-L397 VanDerWaalsContact OH-CD1 3.32Å; Y379-L397 WeakPolarHBondContact OH-CD1 3.29Å
380	L	98.1	Very high	95.4	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	123.9	175.1	-178.6	57.7	0	0	0	111	I308 S330 S331 F336 L365 L366 M369 P382 W387	I308-L380 HydrophobicContact CD1-CD2 3.79Å; I308-L380 HydrophobicContact CG1-CD2 3.72Å; I308-L380 HydrophobicContact CG1-CG 4.37Å; I308-L380 HydrophobicContact CG2-CD2 4.43Å; S330-L380 WeakPolarHBondContact CA-O 3.46Å; S330-L380 WeakPolarHBondContact CB-O 3.44Å; S331-L380 PolarHBondContact N-O 3.44Å; S331-L380 PolarHBondContact O-N 2.59Å; F336-L380 HydrophobicContact CE1-CB 3.81Å; F336-L380 HydrophobicContact CE1-CD2 4.42Å; F336-L380 HydrophobicContact CE2-CD2 4.28Å; F336-L380 HydrophobicContact CZ-CB 3.75Å; F336-L380 HydrophobicContact CZ-CD2 3.81Å; F336-L380 HydrophobicContact CZ-CG 4.42Å; L365-L380 HydrophobicContact CD2-CD2 4.08Å; L366-L380 HydrophobicContact CD2-CD2 3.94Å; M369-L380 HydrophobicContact CE-CD1 3.5Å; M369-L380 VanDerWaalsContact CE-CD1 3.5Å; M369-L380 HydrophobicContact SD-CD1 3.7Å; M369-L380 HydrophobicContact SD-CD2 4.11Å; L380-P382 WeakPolarHBondContact O-CD 3.45Å; L380-W387 HydrophobicContact CB-CE3 4.05Å; L380-W387 HydrophobicContact CB-CZ3 3.92Å; L380-W387 HydrophobicContact CD1-CD2 4.36Å; L380-W387 HydrophobicContact CD1-CE3 3.94Å; L380-W387 HydrophobicContact CD1-CZ3 4.18Å; L380-W387 HydrophobicContact CD2-CZ3 4.39Å; L380-W387 HydrophobicContact CG-CZ3 4.4Å
381	N	97.8	Very high	95.6	Very high	25 Å²	25	50 Å²	50	13%	0.134	24%	0.237	C	C	.	.			trans	-75.3	117.9	-179.7	-174.9	-64.3	0	0	0	111	A328 R383 T384 G385 R386	A328-N381 PolarHBondContact O-ND2 3.47Å; N381-R383 PolarHBondContact O-N 3.3Å; N381-R383 WeakPolarHBondContact OD1-CA 3.31Å; N381-R383 WeakPolarHBondContact OD1-CB 3.32Å; N381-R383 PolarHBondContact OD1-N 2.92Å; N381-T384 WeakPolarHBondContact CB-OG1 3.48Å; N381-T384 PolarHBondContact O-N 2.91Å; N381-T384 PolarHBondContact OD1-N 3.49Å; N381-T384 PolarHBondContact OD1-OG1 3.27Å; N381-G385 WeakPolarHBondContact O-CA 3.49Å; N381-G385 PolarHBondContact O-N 2.98Å; N381-R386 PolarHBondContact N-O 3.5Å
382	P	97.7	Very high	95.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-8.3	-174.1	32.7	-39.2	0	0	0	113.9	T304 T306 I308 W310 N322 L380	T304-P382 HydrophobicContact CG2-CB 4.09Å; T304-P382 PolarHBondContact OG1-O 3.35Å; T306-P382 WeakPolarHBondContact CB-O 3.42Å; T306-P382 VanDerWaalsContact CG2-O 3.22Å; T306-P382 WeakPolarHBondContact CG2-O 3.24Å; T306-P382 PolarHBondContact N-O 2.84Å; T306-P382 VanDerWaalsContact OG1-C 3.3Å; T306-P382 WeakPolarHBondContact OG1-CA 3.39Å; T306-P382 PolarHBondContact OG1-O 3.42Å; I308-P382 HydrophobicContact CB-CB 4.03Å; I308-P382 HydrophobicContact CG2-CB 4.16Å; I308-P382 WeakPolarHBondContact O-CB 3.4Å; W310-P382 HydrophobicContact CE3-CG 3.83Å; W310-P382 HydrophobicContact CH2-CG 3.85Å; W310-P382 HydrophobicContact CZ3-CB 4.39Å; W310-P382 HydrophobicContact CZ3-CG 3.33Å; N322-P382 WeakPolarHBondContact ND2-CG 3.32Å; L380-P382 WeakPolarHBondContact O-CD 3.45Å
383	R	96.6	Very high	96	Very high	162 Å²	162	45 Å²	45	61%	0.611	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-39.4	175	-59.3	-177	-175.8	-86.7	-4.6	111.9	P305 W310 N381	P305-R383 HydrophobicContact CG-CB 4.43Å; W310-R383 HydrophobicContact CH2-CG 3.95Å; N381-R383 PolarHBondContact O-N 3.3Å; N381-R383 WeakPolarHBondContact OD1-CA 3.31Å; N381-R383 WeakPolarHBondContact OD1-CB 3.32Å; N381-R383 PolarHBondContact OD1-N 2.92Å
384	T	95.9	Very high	96.3	Very high	84 Å²	84	40.9 Å²	40.9	52%	0.515	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105	-18.3	-172.8	64.8	0	0	0	0	114.1	N381 R386	N381-T384 WeakPolarHBondContact CB-OG1 3.48Å; N381-T384 PolarHBondContact O-N 2.91Å; N381-T384 PolarHBondContact OD1-N 3.49Å; N381-T384 PolarHBondContact OD1-OG1 3.27Å; T384-R386 PolarHBondContact O-N 3.12Å; T384-R386 PolarHBondContact OG1-N 2.97Å
385	G	95.1	Very high	96.4	Very high	20 Å²	20	39.8 Å²	39.8	21%	0.206	18%	0.181	C	C	.	.			trans	69.1	23	-176.7	0	0	0	0	0	112.9	T306 M369 N381	T306-G385 VanDerWaalsContact CG2-N 3.33Å; M369-G385 WeakPolarHBondContact CE-O 3.4Å; N381-G385 WeakPolarHBondContact O-CA 3.49Å; N381-G385 PolarHBondContact O-N 2.98Å
386	R	95.1	Very high	96.2	Very high	188 Å²	188	40.9 Å²	40.9	71%	0.709	19%	0.193	S	C	*	.			trans	-108.1	144.4	178	-63.1	-175.2	-179.3	-177	-0.6	110.6	N381 T384	N381-R386 PolarHBondContact N-O 3.5Å; T384-R386 PolarHBondContact O-N 3.12Å; T384-R386 PolarHBondContact OG1-N 2.97Å
387	W	95.8	Very high	96.1	Very high	33 Å²	33	43.3 Å²	43.3	13%	0.125	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-57.6	140.5	170	-63.9	126.6	0	0	0	111	L366 M369 D370 Y376 P377 Y379 L380 Y390	L366-W387 HydrophobicContact CD2-CH2 3.6Å; L366-W387 HydrophobicContact CD2-CZ2 4.28Å; L366-W387 HydrophobicContact CD2-CZ3 4.4Å; M369-W387 HydrophobicContact CB-CZ2 4.11Å; M369-W387 HydrophobicContact CE-CD2 3.77Å; M369-W387 VanDerWaalsContact CE-CE2 3.5Å; M369-W387 HydrophobicContact CE-CE3 4.45Å; M369-W387 HydrophobicContact CE-CG 3.99Å; M369-W387 HydrophobicContact CE-CZ2 3.98Å; M369-W387 HydrophobicContact SD-CH2 4.29Å; M369-W387 HydrophobicContact SD-CZ2 3.85Å; D370-W387 PolarHBondContact O-NE1 3.41Å; Y376-W387 HydrophobicContact CD1-CH2 4.17Å; Y376-W387 HydrophobicContact CD1-CZ2 4.43Å; P377-W387 HydrophobicContact CB-CB 4.38Å; P377-W387 HydrophobicContact CB-CD2 4.03Å; P377-W387 HydrophobicContact CB-CE3 3.78Å; P377-W387 HydrophobicContact CB-CG 4.29Å; P377-W387 HydrophobicContact CB-CZ3 4.37Å; P377-W387 HydrophobicContact CG-CB 4.2Å; P377-W387 HydrophobicContact CG-CD2 3.73Å; P377-W387 HydrophobicContact CG-CE3 3.99Å; P377-W387 HydrophobicContact CG-CG 3.81Å; P377-W387 VanDerWaalsContact O-CZ3 3.3Å; P377-W387 WeakPolarHBondContact O-CZ3 3.36Å; Y379-W387 WeakPolarHBondContact O-CA 3.37Å; L380-W387 HydrophobicContact CB-CE3 4.05Å; L380-W387 HydrophobicContact CB-CZ3 3.92Å; L380-W387 HydrophobicContact CD1-CD2 4.36Å; L380-W387 HydrophobicContact CD1-CE3 3.94Å; L380-W387 HydrophobicContact CD1-CZ3 4.18Å; L380-W387 HydrophobicContact CD2-CZ3 4.39Å; L380-W387 HydrophobicContact CG-CZ3 4.4Å; W387-Y390 HydrophobicContact CB-CD1 4.15Å; W387-Y390 HydrophobicContact CB-CE1 3.67Å; W387-Y390 HydrophobicContact CG-CE1 4.49Å
388	G	93.9	Very high	96.2	Very high	17 Å²	17	43.3 Å²	43.3	18%	0.175	21%	0.206	C	C	.	.			trans	-79.4	-137.4	167.8	0	0	0	0	0	110.7	Y379 Y390	Y379-G388 PolarHBondContact O-N 2.9Å; G388-Y390 WeakPolarHBondContact O-CD1 3.4Å; G388-Y390 PolarHBondContact O-N 2.96Å
389	Q	92.9	Very high	96.2	Very high	98 Å²	98	44 Å²	44	46%	0.458	21%	0.21	S	C	.	.	S	Bend	trans	-58.8	137.1	170.9	-78.7	170.6	-6.3	0	0	111.5	S327 Y379 H391	S327-Q389 WeakPolarHBondContact OG-CG 3.31Å; S327-Q389 PolarHBondContact OG-N 3.22Å; Y379-Q389 HydrophobicContact CD2-CB 4.35Å; Q389-H391 PolarHBondContact O-N 3.48Å; Q389-H391 PolarHBondContact OE1-CE1 2.98Å
390	Y	93.6	Very high	96.2	Very high	139 Å²	139	43.1 Å²	43.1	55%	0.545	21%	0.207	S	C	.	.			trans	-79.2	56.3	177.5	-60.3	-8.9	0	0	0	111.2	P372 P377 W387 G388	P372-Y390 HydrophobicContact CB-CD2 4.27Å; P372-Y390 HydrophobicContact CB-CE2 4.46Å; P372-Y390 HydrophobicContact CG-CD1 4.49Å; P372-Y390 HydrophobicContact CG-CD2 4.23Å; P372-Y390 HydrophobicContact CG-CG 4.22Å; P377-Y390 HydrophobicContact CB-CD1 4.47Å; P377-Y390 HydrophobicContact CG-CD1 4.09Å; W387-Y390 HydrophobicContact CB-CD1 4.15Å; W387-Y390 HydrophobicContact CB-CE1 3.67Å; W387-Y390 HydrophobicContact CG-CE1 4.49Å; G388-Y390 WeakPolarHBondContact O-CD1 3.4Å; G388-Y390 PolarHBondContact O-N 2.96Å
391	H	95.6	Very high	96.2	Very high	27 Å²	27	43.4 Å²	43.4	13%	0.125	21%	0.208	C	C	.	.			trans	-92.8	128.1	169.9	-66.4	171.6	0	0	0	108.5	P377 N378 Y379 Q389 W448 K449	P377-H391 CarbonylContact C-O 3.58Å; P377-H391 WeakPolarHBondContact CA-O 3.5Å; N378-H391 PolarHBondContact N-O 3.24Å; Y379-H391 HydrophobicContact CE2-CB 4.24Å; Q389-H391 PolarHBondContact O-N 3.48Å; Q389-H391 PolarHBondContact OE1-CE1 2.98Å; H391-W448 CarbonylContact C-O 3.58Å; H391-W448 VanDerWaalsContact CA-O 3.31Å; H391-W448 WeakPolarHBondContact CA-O 3.34Å; H391-K449 HydrophobicContact CB-CG 4.33Å
392	T	97.2	Very high	96.3	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.018	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-127.3	133.6	174.6	-61.5	0	0	0	0	109	L375 Y376 L434 W448	L375-T392 HydrophobicContact CB-CG2 4.06Å; L375-T392 HydrophobicContact CD1-CG2 4.4Å; L375-T392 HydrophobicContact CD2-CG2 4.31Å; L375-T392 HydrophobicContact CG-CG2 4.49Å; Y376-T392 VanDerWaalsContact O-CG2 3.31Å; Y376-T392 WeakPolarHBondContact O-CG2 3.5Å; Y376-T392 PolarHBondContact O-OG1 3.3Å; T392-L434 HydrophobicContact CG2-CD1 4.11Å; T392-W448 PolarHBondContact N-O 2.72Å; T392-W448 PolarHBondContact O-N 3.47Å
393	S	97.1	Very high	96.3	Very high	5 Å²	5	42.6 Å²	42.6	4%	0.035	20%	0.204	C	C	.	.			trans	-143.4	144.3	173.7	-172.6	0	0	0	0	108.8	N378 G395 G398 E447	N378-S393 PolarHBondContact ND2-N 2.65Å; S393-G395 VanDerWaalsContact C-N 3.26Å; S393-G395 PolarHBondContact OG-N 3.13Å; S393-G398 WeakPolarHBondContact O-CA 3.11Å; S393-E447 WeakPolarHBondContact OG-CG 3.28Å; S393-E447 PolarHBondContact OG-OE1 3.12Å
394	V	97.6	Very high	96.4	Very high	1 Å²	1	35 Å²	35	1%	0.006	18%	0.175	C	C	.	.	S	Bend	trans	-93.9	9.9	165.4	-163.1	0	0	0	0	109.9	Y402 I430 L434 I445 A461 F463 A464	V394-Y402 HydrophobicContact CG1-CD2 4.1Å; V394-Y402 HydrophobicContact CG1-CE2 4.48Å; V394-Y402 HydrophobicContact CG2-CE2 4.28Å; V394-I430 HydrophobicContact CG2-CD1 3.74Å; V394-I430 HydrophobicContact CG2-CG1 3.91Å; V394-I430 HydrophobicContact CG2-CG2 3.86Å; V394-L434 HydrophobicContact CG2-CD1 3.78Å; V394-I445 HydrophobicContact CB-CG2 3.97Å; V394-I445 HydrophobicContact CG1-CD1 4.49Å; V394-I445 HydrophobicContact CG2-CG2 3.79Å; V394-A461 WeakPolarHBondContact O-CA 3.24Å; V394-F463 HydrophobicContact CG1-CE1 4.04Å; V394-F463 HydrophobicContact CG1-CZ 4.25Å; V394-F463 WeakPolarHBondContact O-CE1 3.39Å; V394-A464 HydrophobicContact CG1-CB 4.27Å
395	G	95.6	Very high	96.6	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	-100.9	-149.3	159.2	0	0	0	0	0	109.9	S393 G398 D399	S393-G395 VanDerWaalsContact C-N 3.26Å; S393-G395 PolarHBondContact OG-N 3.13Å; G395-G398 PolarHBondContact O-N 3.28Å; G395-D399 WeakPolarHBondContact O-CB 3.26Å; G395-D399 VanDerWaalsContact O-CG 3.23Å; G395-D399 PolarHBondContact O-N 3.37Å
396	G	93.3	Very high	96.7	Very high	26 Å²	26	30.1 Å²	30.1	27%	0.268	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.1	142.6	-174.3	0	0	0	0	0	114.5	G398 D399	G396-G398 VanDerWaalsContact C-N 3.26Å; G396-G398 PolarHBondContact O-N 3.26Å; G396-D399 VanDerWaalsContact CA-OD2 3.29Å; G396-D399 WeakPolarHBondContact CA-OD2 3.34Å; G396-D399 PolarHBondContact N-OD2 2.96Å
397	L	96.8	Very high	96.9	Very high	56 Å²	56	21.3 Å²	21.3	29%	0.293	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	-8.9	-177.1	-45.3	175.8	0	0	0	115.3	W325 I332 A334 N378 Y379	W325-L397 HydrophobicContact CH2-CD2 4.08Å; I332-L397 HydrophobicContact CD1-CD2 4.39Å; I332-L397 HydrophobicContact CG1-CD2 4.43Å; I332-L397 HydrophobicContact CG2-CB 3.66Å; I332-L397 HydrophobicContact CG2-CD2 3.72Å; I332-L397 HydrophobicContact CG2-CG 4.28Å; I332-L397 WeakPolarHBondContact CG2-O 3.34Å; A334-L397 VanDerWaalsContact CB-C 3.45Å; A334-L397 PolarHBondContact N-O 2.69Å; N378-L397 HydrophobicContact CB-CB 3.99Å; Y379-L397 VanDerWaalsContact OH-CD1 3.32Å; Y379-L397 WeakPolarHBondContact OH-CD1 3.29Å
398	G	97.6	Very high	97	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138.5	-37.8	-179.1	0	0	0	0	0	115.3	S393 G395 G396 S400 F401 Y402	S393-G398 WeakPolarHBondContact O-CA 3.11Å; G395-G398 PolarHBondContact O-N 3.28Å; G396-G398 VanDerWaalsContact C-N 3.26Å; G396-G398 PolarHBondContact O-N 3.26Å; G398-S400 PolarHBondContact O-N 2.93Å; G398-F401 WeakPolarHBondContact O-CB 3.37Å; G398-F401 PolarHBondContact O-N 3.22Å; G398-Y402 VanDerWaalsContact O-CD2 3.25Å; G398-Y402 WeakPolarHBondContact O-CD2 3.4Å; G398-Y402 VanDerWaalsContact O-CE2 3.31Å; G398-Y402 WeakPolarHBondContact O-CE2 3.32Å
399	D	98.3	Very high	97.2	Very high	19 Å²	19	19.6 Å²	19.6	10%	0.102	10%	0.096	C	C	.	.	H	α-helix	trans	-20.9	-80.2	172.4	43	20.9	0	0	0	116.6	A334 G395 G396 F401 Y402 E403 F463	A334-D399 WeakPolarHBondContact CB-OD1 3.33Å; G395-D399 WeakPolarHBondContact O-CB 3.26Å; G395-D399 VanDerWaalsContact O-CG 3.23Å; G395-D399 PolarHBondContact O-N 3.37Å; G396-D399 VanDerWaalsContact CA-OD2 3.29Å; G396-D399 WeakPolarHBondContact CA-OD2 3.34Å; G396-D399 PolarHBondContact N-OD2 2.96Å; D399-F401 PolarHBondContact O-N 3.42Å; D399-F401 VanDerWaalsContact O-N 3.1Å; D399-Y402 WeakPolarHBondContact O-CB 3.49Å; D399-Y402 WeakPolarHBondContact O-CD2 3.44Å; D399-Y402 PolarHBondContact O-N 3.21Å; D399-E403 PolarHBondContact O-N 2.7Å; D399-F463 HydrophobicContact CB-CD1 4.02Å; D399-F463 HydrophobicContact CB-CE1 3.4Å; D399-F463 HydrophobicContact CB-CZ 4Å; D399-F463 WeakPolarHBondContact O-CZ 3.47Å
400	S	98.6	Very high	97.4	Very high	3 Å²	3	16.1 Å²	16.1	2%	0.021	8%	0.081	C	C	.	.	H	α-helix	trans	-72.4	-10.7	-164.6	63.6	0	0	0	0	113.6	T338 G398 E403 Y404 T619	T338-S400 WeakPolarHBondContact CG2-OG 3.29Å; T338-S400 VanDerWaalsContact OG1-C 3.23Å; T338-S400 WeakPolarHBondContact OG1-CB 3.5Å; T338-S400 PolarHBondContact OG1-O 2.73Å; T338-S400 PolarHBondContact OG1-OG 3.46Å; G398-S400 PolarHBondContact O-N 2.93Å; S400-E403 WeakPolarHBondContact O-CB 3.28Å; S400-Y404 WeakPolarHBondContact O-CB 3.49Å; S400-Y404 PolarHBondContact O-N 3.33Å; S400-T619 WeakPolarHBondContact CB-OG1 3.34Å
401	F	98.8	Very high	97.5	Very high	5 Å²	5	9.6 Å²	9.6	2%	0.022	6%	0.055	C	C	.	.	H	α-helix	trans	-62.9	-45.8	166.8	162	-103.4	0	0	0	111	L333 T338 L366 Y376 G398 D399 E403 Y404 L405 M422	L333-F401 HydrophobicContact CD1-CB 4.41Å; L333-F401 HydrophobicContact CD1-CD1 3.95Å; L333-F401 HydrophobicContact CD1-CD2 4.01Å; L333-F401 HydrophobicContact CD1-CE1 4.19Å; L333-F401 HydrophobicContact CD1-CE2 4.24Å; L333-F401 HydrophobicContact CD1-CG 3.85Å; L333-F401 HydrophobicContact CD1-CZ 4.32Å; L333-F401 HydrophobicContact CD2-CB 4.48Å; L333-F401 HydrophobicContact CD2-CD1 3.78Å; L333-F401 HydrophobicContact CD2-CE1 4.31Å; L333-F401 HydrophobicContact CD2-CG 4.23Å; L333-F401 HydrophobicContact CG-CB 3.93Å; L333-F401 HydrophobicContact CG-CD1 3.88Å; L333-F401 HydrophobicContact CG-CD2 4.45Å; L333-F401 HydrophobicContact CG-CG 3.82Å; T338-F401 PolarHBondContact OG1-N 3.04Å; L366-F401 HydrophobicContact CD1-CD2 4.5Å; L366-F401 HydrophobicContact CD1-CE2 3.6Å; L366-F401 HydrophobicContact CD1-CZ 4.05Å; Y376-F401 AromaticContact CD1-CE1 3.83Å; Y376-F401 HydrophobicContact CD1-CE1 3.83Å; Y376-F401 AromaticContact CD1-CZ 3.89Å; Y376-F401 HydrophobicContact CD1-CZ 3.89Å; Y376-F401 AromaticContact CD2-CE1 3.81Å; Y376-F401 HydrophobicContact CD2-CE1 3.81Å; Y376-F401 HydrophobicContact CD2-CZ 4.45Å; Y376-F401 HydrophobicContact CE1-CE1 4.05Å; Y376-F401 AromaticContact CE1-CZ 3.75Å; Y376-F401 HydrophobicContact CE1-CZ 3.75Å; Y376-F401 HydrophobicContact CE2-CE1 4.02Å; Y376-F401 HydrophobicContact CE2-CZ 4.32Å; Y376-F401 AromaticContact CG-CE1 3.7Å; Y376-F401 HydrophobicContact CG-CE1 3.7Å; Y376-F401 HydrophobicContact CG-CZ 4.24Å; Y376-F401 AromaticContact CZ-CZ 3.97Å; G398-F401 WeakPolarHBondContact O-CB 3.37Å; G398-F401 PolarHBondContact O-N 3.22Å; D399-F401 PolarHBondContact O-N 3.42Å; D399-F401 VanDerWaalsContact O-N 3.1Å; F401-E403 VanDerWaalsContact C-N 3.31Å; F401-Y404 PolarHBondContact O-N 2.79Å; F401-L405 HydrophobicContact CE1-CD1 3.87Å; F401-L405 HydrophobicContact CE2-CD1 4.28Å; F401-L405 HydrophobicContact CE2-CD2 4.11Å; F401-L405 HydrophobicContact CE2-CG 4.26Å; F401-L405 HydrophobicContact CZ-CD1 3.74Å; F401-L405 HydrophobicContact CZ-CD2 4.28Å; F401-L405 HydrophobicContact CZ-CG 4.23Å; F401-L405 WeakPolarHBondContact O-CG 3.45Å; F401-L405 PolarHBondContact O-N 2.89Å; F401-M422 HydrophobicContact CZ-CE 4.48Å
402	Y	98.8	Very high	97.5	Very high	2 Å²	2	8.9 Å²	8.9	1%	0.008	5%	0.053	C	C	.	.	H	α-helix	trans	-66.2	-40	179.1	-54.2	-68.9	0	0	0	110.9	Y376 V394 G398 D399 Y404 L405 L406 A426 I430	Y376-Y402 HydrophobicContact CD2-CE1 4.04Å; V394-Y402 HydrophobicContact CG1-CD2 4.1Å; V394-Y402 HydrophobicContact CG1-CE2 4.48Å; V394-Y402 HydrophobicContact CG2-CE2 4.28Å; G398-Y402 VanDerWaalsContact O-CD2 3.25Å; G398-Y402 WeakPolarHBondContact O-CD2 3.4Å; G398-Y402 VanDerWaalsContact O-CE2 3.31Å; G398-Y402 WeakPolarHBondContact O-CE2 3.32Å; D399-Y402 WeakPolarHBondContact O-CB 3.49Å; D399-Y402 WeakPolarHBondContact O-CD2 3.44Å; D399-Y402 PolarHBondContact O-N 3.21Å; Y402-Y404 PolarHBondContact O-N 2.95Å; Y402-L405 PolarHBondContact O-N 2.75Å; Y402-L406 PolarHBondContact O-N 3.04Å; Y402-A426 HydrophobicContact CD1-CB 4.01Å; Y402-A426 HydrophobicContact CE1-CB 4.2Å; Y402-I430 HydrophobicContact CD1-CD1 3.96Å; Y402-I430 HydrophobicContact CD2-CD1 4.45Å; Y402-I430 HydrophobicContact CE1-CD1 3.94Å; Y402-I430 HydrophobicContact CE2-CD1 4.42Å; Y402-I430 HydrophobicContact CG-CD1 4.23Å
403	E	98.9	Very high	97.4	Very high	7 Å²	7	12.1 Å²	12.1	3%	0.033	7%	0.07	C	C	.	.	H	α-helix	trans	-55.6	-49.1	174.1	-162.2	-163.1	136.7	0	0	111.7	D399 S400 F401 L405 L406 K407 F463 M467 T619	D399-E403 PolarHBondContact O-N 2.7Å; S400-E403 WeakPolarHBondContact O-CB 3.28Å; F401-E403 VanDerWaalsContact C-N 3.31Å; E403-L405 VanDerWaalsContact C-N 3.3Å; E403-L405 PolarHBondContact O-N 3.02Å; E403-L406 PolarHBondContact O-N 3.48Å; E403-L406 VanDerWaalsContact O-N 3.16Å; E403-K407 HydrophobicContact CG-CD 3.85Å; E403-K407 HydrophobicContact CG-CG 4.41Å; E403-K407 WeakPolarHBondContact O-CB 3.42Å; E403-K407 WeakPolarHBondContact O-CG 3.27Å; E403-K407 PolarHBondContact O-N 3.15Å; E403-K407 WeakPolarHBondContact OE1-CD 3.4Å; E403-K407 WeakPolarHBondContact OE1-CE 3.35Å; E403-K407 IonicContact OE1-NZ 2.78Å; E403-K407 PolarHBondContact OE1-NZ 2.79Å; E403-F463 HydrophobicContact CB-CD2 4.39Å; E403-F463 HydrophobicContact CB-CE2 3.67Å; E403-F463 HydrophobicContact CB-CZ 4.41Å; E403-F463 HydrophobicContact CG-CD2 4.16Å; E403-F463 HydrophobicContact CG-CE2 3.89Å; E403-M467 HydrophobicContact CB-SD 4.45Å; E403-T619 WeakPolarHBondContact OE1-CA 3.42Å; E403-T619 PolarHBondContact OE2-OG1 3.38Å
404	Y	98.8	Very high	97.3	Very high	1 Å²	1	15.7 Å²	15.7	0%	0.004	9%	0.085	C	C	.	.	H	α-helix	trans	-74.3	-17	-176.9	-90.2	39.4	0	0	0	113.9	T338 H340 M341 E342 R363 S400 F401 Y402 A408 N618 T619	T338-Y404 HydrophobicContact CG2-CD1 3.66Å; T338-Y404 HydrophobicContact CG2-CD2 3.75Å; T338-Y404 HydrophobicContact CG2-CE1 3.46Å; T338-Y404 VanDerWaalsContact CG2-CE1 3.46Å; T338-Y404 HydrophobicContact CG2-CE2 3.52Å; T338-Y404 HydrophobicContact CG2-CG 3.81Å; H340-Y404 HydrophobicContact CB-CD2 4.04Å; M341-Y404 HydrophobicContact CB-CD2 4.43Å; M341-Y404 HydrophobicContact CB-CE2 3.92Å; M341-Y404 HydrophobicContact CG-CD2 3.97Å; M341-Y404 HydrophobicContact CG-CE2 3.85Å; M341-Y404 HydrophobicContact CG-CG 4.41Å; M341-Y404 HydrophobicContact SD-CD1 4.1Å; M341-Y404 HydrophobicContact SD-CD2 4.39Å; M341-Y404 HydrophobicContact SD-CE1 3.8Å; M341-Y404 HydrophobicContact SD-CE2 4.14Å; M341-Y404 HydrophobicContact SD-CG 4.4Å; E342-Y404 PolarHBondContact OE1-OH 3.38Å; E342-Y404 WeakPolarHBondContact OE2-CE2 3.41Å; R363-Y404 PolarHBondContact NH2-O 2.94Å; S400-Y404 WeakPolarHBondContact O-CB 3.49Å; S400-Y404 PolarHBondContact O-N 3.33Å; F401-Y404 PolarHBondContact O-N 2.79Å; Y402-Y404 PolarHBondContact O-N 2.95Å; Y404-A408 WeakPolarHBondContact O-CB 3.44Å; Y404-A408 PolarHBondContact O-N 2.88Å; Y404-A408 VanDerWaalsContact O-N 3.08Å; Y404-N618 VanDerWaalsContact OH-CB 3.3Å; Y404-N618 WeakPolarHBondContact OH-CB 3.47Å; Y404-T619 HydrophobicContact CE1-CG2 4.25Å; Y404-T619 PolarHBondContact OH-N 3.07Å; Y404-T619 VanDerWaalsContact OH-N 3.11Å
405	L	98.7	Very high	97.1	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.01	11%	0.109	C	C	.	.	H	α-helix	trans	-66.4	-47.4	166.7	-64.8	176.1	0	0	0	110.4	F401 Y402 E403 A419 M422	F401-L405 HydrophobicContact CE1-CD1 3.87Å; F401-L405 HydrophobicContact CE2-CD1 4.28Å; F401-L405 HydrophobicContact CE2-CD2 4.11Å; F401-L405 HydrophobicContact CE2-CG 4.26Å; F401-L405 HydrophobicContact CZ-CD1 3.74Å; F401-L405 HydrophobicContact CZ-CD2 4.28Å; F401-L405 HydrophobicContact CZ-CG 4.23Å; F401-L405 WeakPolarHBondContact O-CG 3.45Å; F401-L405 PolarHBondContact O-N 2.89Å; Y402-L405 PolarHBondContact O-N 2.75Å; E403-L405 VanDerWaalsContact C-N 3.3Å; E403-L405 PolarHBondContact O-N 3.02Å; L405-A419 VanDerWaalsContact O-CB 3.31Å; L405-A419 WeakPolarHBondContact O-CB 3.3Å; L405-M422 HydrophobicContact CD1-CB 3.92Å; L405-M422 HydrophobicContact CD2-CB 3.95Å; L405-M422 HydrophobicContact CD2-CE 3.87Å; L405-M422 HydrophobicContact CD2-SD 4.24Å; L405-M422 HydrophobicContact CG-CB 4.45Å
406	L	98.6	Very high	97.1	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-66.9	-50.7	176.8	175	63.2	0	0	0	111.4	Y402 E403 A408 W409 L410 Y423 M467 L470	Y402-L406 PolarHBondContact O-N 3.04Å; E403-L406 PolarHBondContact O-N 3.48Å; E403-L406 VanDerWaalsContact O-N 3.16Å; L406-A408 VanDerWaalsContact C-N 3.32Å; L406-A408 PolarHBondContact O-N 2.73Å; L406-W409 HydrophobicContact CD1-CE3 3.89Å; L406-W409 HydrophobicContact CD1-CZ3 4.21Å; L406-W409 WeakPolarHBondContact O-CB 3.31Å; L406-W409 PolarHBondContact O-N 3.37Å; L406-W409 VanDerWaalsContact O-N 3.09Å; L406-L410 HydrophobicContact CD1-CD1 4.29Å; L406-L410 HydrophobicContact CD1-CG 4.43Å; L406-L410 HydrophobicContact CG-CD1 4.07Å; L406-L410 PolarHBondContact O-N 3.28Å; L406-L410 VanDerWaalsContact O-N 3.07Å; L406-Y423 HydrophobicContact CB-CD1 4.47Å; L406-Y423 HydrophobicContact CB-CD2 3.67Å; L406-Y423 HydrophobicContact CB-CE2 3.75Å; L406-Y423 HydrophobicContact CB-CG 4.04Å; L406-Y423 HydrophobicContact CD1-CD1 4.28Å; L406-Y423 HydrophobicContact CD1-CE1 4.14Å; L406-Y423 HydrophobicContact CD2-CE2 4.17Å; L406-Y423 HydrophobicContact CG-CE2 4.43Å; L406-M467 HydrophobicContact CD2-CG 4.01Å; L406-M467 VanDerWaalsContact CD2-O 3.31Å; L406-M467 WeakPolarHBondContact CD2-O 3.39Å; L406-L470 HydrophobicContact CD2-CB 4.11Å; L406-L470 HydrophobicContact CD2-CD2 4.12Å; L406-L470 HydrophobicContact CD2-CG 4.01Å
407	K	98.6	Very high	97.2	Very high	3 Å²	3	26.1 Å²	26.1	1%	0.013	13%	0.133	C	C	.	.	H	α-helix	trans	-66.8	-31.2	-173.9	-71.7	-174.1	172.4	-179.3	0	112.9	M341 E403 L410 M411 L470 V616 F617	M341-K407 HydrophobicContact CE-CB 4.31Å; M341-K407 HydrophobicContact SD-CB 3.57Å; M341-K407 VanDerWaalsContact SD-CB 3.57Å; M341-K407 HydrophobicContact SD-CD 4.13Å; M341-K407 HydrophobicContact SD-CG 4.49Å; E403-K407 HydrophobicContact CG-CD 3.85Å; E403-K407 HydrophobicContact CG-CG 4.41Å; E403-K407 WeakPolarHBondContact O-CB 3.42Å; E403-K407 WeakPolarHBondContact O-CG 3.27Å; E403-K407 PolarHBondContact O-N 3.15Å; E403-K407 WeakPolarHBondContact OE1-CD 3.4Å; E403-K407 WeakPolarHBondContact OE1-CE 3.35Å; E403-K407 IonicContact OE1-NZ 2.78Å; E403-K407 PolarHBondContact OE1-NZ 2.79Å; K407-L410 PolarHBondContact O-N 3.16Å; K407-M411 WeakPolarHBondContact O-CB 3.45Å; K407-M411 PolarHBondContact O-N 2.87Å; K407-L470 HydrophobicContact CG-CD2 4.38Å; K407-V616 HydrophobicContact CB-CG1 3.64Å; K407-V616 HydrophobicContact CD-CG1 4.05Å; K407-V616 HydrophobicContact CG-CG1 3.75Å; K407-F617 WeakPolarHBondContact CD-O 3.47Å; K407-F617 WeakPolarHBondContact CE-O 3.16Å; K407-F617 PolarHBondContact NZ-O 3.47Å
408	A	98.3	Very high	97.1	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.008	13%	0.133	C	C	.	.	H	α-helix	trans	-66.6	-37.2	171.7	0	0	0	0	0	113.1	Y404 L406 S412 A419	Y404-A408 WeakPolarHBondContact O-CB 3.44Å; Y404-A408 PolarHBondContact O-N 2.88Å; Y404-A408 VanDerWaalsContact O-N 3.08Å; L406-A408 VanDerWaalsContact C-N 3.32Å; L406-A408 PolarHBondContact O-N 2.73Å; A408-S412 WeakPolarHBondContact O-CB 3.47Å; A408-S412 PolarHBondContact O-N 3.36Å; A408-S412 PolarHBondContact O-OG 3.04Å; A408-A419 HydrophobicContact CB-CB 4.28Å
409	W	97.6	Very high	97.1	Very high	13 Å²	13	26.3 Å²	26.3	5%	0.049	13%	0.133	C	C	.	.	H	α-helix	trans	-62.5	-47.2	172.7	171	65.4	0	0	0	110.7	L406 S412 K414 D416 A419 R420	L406-W409 HydrophobicContact CD1-CE3 3.89Å; L406-W409 HydrophobicContact CD1-CZ3 4.21Å; L406-W409 WeakPolarHBondContact O-CB 3.31Å; L406-W409 PolarHBondContact O-N 3.37Å; L406-W409 VanDerWaalsContact O-N 3.09Å; W409-S412 PolarHBondContact O-N 2.78Å; W409-S412 PolarHBondContact O-OG 2.96Å; W409-K414 HydrophobicContact CD2-CB 4.44Å; W409-K414 HydrophobicContact CD2-CG 4.25Å; W409-K414 HydrophobicContact CH2-CD 3.78Å; W409-K414 HydrophobicContact CH2-CG 3.91Å; W409-K414 HydrophobicContact CZ2-CB 3.7Å; W409-K414 HydrophobicContact CZ2-CD 3.62Å; W409-K414 HydrophobicContact CZ2-CG 3.51Å; W409-K414 HydrophobicContact CZ3-CG 4.44Å; W409-K414 VanDerWaalsContact NE1-C 3.34Å; W409-K414 VanDerWaalsContact NE1-CA 3.25Å; W409-K414 PolarHBondContact NE1-O 2.71Å; W409-K414 WeakPolarHBondContact O-CA 3.48Å; W409-K414 PolarHBondContact O-N 3.41Å; W409-D416 VanDerWaalsContact CD1-O 3.31Å; W409-A419 HydrophobicContact CB-CB 4.33Å; W409-R420 HydrophobicContact CB-CB 4.21Å; W409-R420 HydrophobicContact CD2-CB 4.05Å; W409-R420 HydrophobicContact CD2-CG 4.22Å; W409-R420 HydrophobicContact CG-CB 3.72Å; W409-R420 HydrophobicContact CG-CG 4.41Å; W409-R420 VanDerWaalsContact CH2-NH1 3.35Å
410	L	96.9	Very high	97	Very high	25 Å²	25	26 Å²	26	13%	0.131	13%	0.13	C	C	.	.	H	α-helix	trans	-61.4	-48.6	177.1	-65.2	171.1	0	0	0	112.5	L406 K407 S412 D413 L470 V616	L406-L410 HydrophobicContact CD1-CD1 4.29Å; L406-L410 HydrophobicContact CD1-CG 4.43Å; L406-L410 HydrophobicContact CG-CD1 4.07Å; L406-L410 PolarHBondContact O-N 3.28Å; L406-L410 VanDerWaalsContact O-N 3.07Å; K407-L410 PolarHBondContact O-N 3.16Å; L410-S412 PolarHBondContact O-N 3.02Å; L410-D413 PolarHBondContact O-N 3.46Å; L410-L470 HydrophobicContact CD1-CD1 3.78Å; L410-L470 HydrophobicContact CD1-CD2 3.75Å; L410-L470 HydrophobicContact CD1-CG 3.62Å; L410-V616 HydrophobicContact CB-CG2 3.93Å
411	M	96.7	Very high	96.9	Very high	3 Å²	3	30.2 Å²	30.2	2%	0.015	15%	0.148	C	C	.	.	H	α-helix	trans	-63.5	-28.9	-178.2	-177.8	-165.9	74.4	0	0	112.5	M341 I344 H345 K407 D413 V616 L627	M341-M411 HydrophobicContact CB-SD 3.76Å; M341-M411 HydrophobicContact CE-SD 4.08Å; M341-M411 HydrophobicContact CG-CE 4.46Å; M341-M411 HydrophobicContact CG-SD 3.82Å; I344-M411 HydrophobicContact CB-CE 3.67Å; I344-M411 HydrophobicContact CG1-CE 4.02Å; I344-M411 HydrophobicContact CG2-CE 3.6Å; H345-M411 VanDerWaalsContact CD2-SD 3.52Å; H345-M411 PolarHBondContact NE2-SD 2.93Å; H345-M411 VanDerWaalsContact NE2-SD 3.37Å; K407-M411 WeakPolarHBondContact O-CB 3.45Å; K407-M411 PolarHBondContact O-N 2.87Å; M411-D413 PolarHBondContact O-N 3.12Å; M411-V616 HydrophobicContact CB-CB 4.37Å; M411-V616 HydrophobicContact CB-CG2 4.09Å; M411-L627 PolarHBondContact O-N 2.94Å
412	S	95.4	Very high	96.8	Very high	12 Å²	12	30.3 Å²	30.3	8%	0.084	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	18.8	175.6	66.1	0	0	0	0	113.7	A408 W409 L410 K414 T415 D416	A408-S412 WeakPolarHBondContact O-CB 3.47Å; A408-S412 PolarHBondContact O-N 3.36Å; A408-S412 PolarHBondContact O-OG 3.04Å; W409-S412 PolarHBondContact O-N 2.78Å; W409-S412 PolarHBondContact O-OG 2.96Å; L410-S412 PolarHBondContact O-N 3.02Å; S412-K414 PolarHBondContact O-N 3.46Å; S412-T415 WeakPolarHBondContact O-CB 3.44Å; S412-T415 WeakPolarHBondContact O-CG2 3.44Å; S412-T415 PolarHBondContact O-N 3.25Å; S412-T415 VanDerWaalsContact O-N 3.14Å; S412-T415 PolarHBondContact O-OG1 3.37Å; S412-T415 PolarHBondContact OG-N 2.78Å; S412-D416 VanDerWaalsContact OG-CB 3.22Å; S412-D416 WeakPolarHBondContact OG-CB 3.32Å; S412-D416 PolarHBondContact OG-N 3.06Å
413	D	94.3	Very high	96.8	Very high	70 Å²	70	30.2 Å²	30.2	37%	0.374	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	42.3	-172.9	-166.2	23.4	0	0	0	111.6	L410 M411 T415 V626 H628	L410-D413 PolarHBondContact O-N 3.46Å; M411-D413 PolarHBondContact O-N 3.12Å; D413-T415 PolarHBondContact O-N 2.94Å; D413-T415 VanDerWaalsContact O-N 3.14Å; D413-V626 HydrophobicContact CB-CG1 3.79Å; D413-H628 IonicContact OD1-CE1 2.78Å; D413-H628 IonicContact OD1-ND1 3.53Å; D413-H628 IonicContact OD2-CE1 3.86Å; D413-H628 IonicContact OD2-CG 3.69Å; D413-H628 IonicContact OD2-ND1 2.89Å; D413-H628 PolarHBondContact OD2-ND1 3.41Å
414	K	94.6	Very high	96.7	Very high	80 Å²	80	30.1 Å²	30.1	35%	0.348	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	62	17.9	-179.4	-58.8	179.5	174.8	177.1	0	115.1	W409 S412 H417 D473	W409-K414 HydrophobicContact CD2-CB 4.44Å; W409-K414 HydrophobicContact CD2-CG 4.25Å; W409-K414 HydrophobicContact CH2-CD 3.78Å; W409-K414 HydrophobicContact CH2-CG 3.91Å; W409-K414 HydrophobicContact CZ2-CB 3.7Å; W409-K414 HydrophobicContact CZ2-CD 3.62Å; W409-K414 HydrophobicContact CZ2-CG 3.51Å; W409-K414 HydrophobicContact CZ3-CG 4.44Å; W409-K414 VanDerWaalsContact NE1-C 3.34Å; W409-K414 VanDerWaalsContact NE1-CA 3.25Å; W409-K414 PolarHBondContact NE1-O 2.71Å; W409-K414 WeakPolarHBondContact O-CA 3.48Å; W409-K414 PolarHBondContact O-N 3.41Å; S412-K414 PolarHBondContact O-N 3.46Å; K414-H417 PolarHBondContact O-CE1 2.91Å; K414-H417 VanDerWaalsContact O-CE1 3.3Å; K414-D473 IonicContact NZ-OD2 2.86Å; K414-D473 PolarHBondContact NZ-OD2 3.23Å
415	T	94.6	Very high	96.6	Very high	83 Å²	83	31.9 Å²	31.9	51%	0.509	16%	0.157	S	C	.	.			trans	-89.3	-21.3	-179.1	64.4	0	0	0	0	114.6	S412 D413 H417	S412-T415 WeakPolarHBondContact O-CB 3.44Å; S412-T415 WeakPolarHBondContact O-CG2 3.44Å; S412-T415 PolarHBondContact O-N 3.25Å; S412-T415 VanDerWaalsContact O-N 3.14Å; S412-T415 PolarHBondContact O-OG1 3.37Å; S412-T415 PolarHBondContact OG-N 2.78Å; D413-T415 PolarHBondContact O-N 2.94Å; D413-T415 VanDerWaalsContact O-N 3.14Å; T415-H417 PolarHBondContact O-CD2 3.36Å; T415-H417 PolarHBondContact O-N 2.78Å
416	D	95.5	Very high	96.5	Very high	25 Å²	25	31.8 Å²	31.8	13%	0.134	16%	0.157	C	C	.	.			trans	-78.2	73.2	173.8	-168.6	-14.3	0	0	0	111.3	R363 W409 S412 E418 A419 R420	R363-D416 IonicContact CZ-OD2 3.99Å; R363-D416 IonicContact NH1-OD2 2.82Å; R363-D416 PolarHBondContact NH1-OD2 3.24Å; W409-D416 VanDerWaalsContact CD1-O 3.31Å; S412-D416 VanDerWaalsContact OG-CB 3.22Å; S412-D416 WeakPolarHBondContact OG-CB 3.32Å; S412-D416 PolarHBondContact OG-N 3.06Å; D416-E418 PolarHBondContact O-N 3.15Å; D416-E418 WeakPolarHBondContact OD1-CB 3.41Å; D416-E418 PolarHBondContact OD1-N 3.13Å; D416-A419 HydrophobicContact CB-CB 4.18Å; D416-A419 VanDerWaalsContact CG-CB 3.47Å; D416-A419 PolarHBondContact O-N 3.03Å; D416-A419 WeakPolarHBondContact OD1-CB 3.49Å; D416-A419 PolarHBondContact OD1-N 3.26Å; D416-R420 PolarHBondContact O-N 3.23Å
417	H	94.9	Very high	96.5	Very high	138 Å²	138	31.8 Å²	31.8	64%	0.639	16%	0.157	S	C	*	.	H	α-helix	trans	-62.6	-23	178.1	-59.6	-49.8	0	0	0	113	K414 T415 K421	K414-H417 PolarHBondContact O-CE1 2.91Å; K414-H417 VanDerWaalsContact O-CE1 3.3Å; T415-H417 PolarHBondContact O-CD2 3.36Å; T415-H417 PolarHBondContact O-N 2.78Å; H417-K421 WeakPolarHBondContact O-CB 3.25Å; H417-K421 PolarHBondContact O-N 2.85Å
418	E	95.1	Very high	96.3	Very high	61 Å²	61	36.2 Å²	36.2	29%	0.285	18%	0.178	S	C	.	.	H	α-helix	trans	-66	-50	175.9	-174.4	178	104.6	0	0	110.4	Q367 D416 R420 K421 M422	Q367-E418 PolarHBondContact NE2-OE1 2.93Å; Q367-E418 PolarHBondContact NE2-OE2 3.49Å; Q367-E418 PolarHBondContact OE1-OE2 2.96Å; D416-E418 PolarHBondContact O-N 3.15Å; D416-E418 WeakPolarHBondContact OD1-CB 3.41Å; D416-E418 PolarHBondContact OD1-N 3.13Å; E418-R420 VanDerWaalsContact C-N 3.34Å; E418-R420 PolarHBondContact O-N 2.94Å; E418-K421 PolarHBondContact O-N 2.99Å; E418-M422 HydrophobicContact CG-SD 4.39Å; E418-M422 WeakPolarHBondContact O-CG 3.06Å; E418-M422 PolarHBondContact O-N 3.19Å
419	A	96.9	Very high	96.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60.3	-43.8	175.8	0	0	0	0	0	111.7	L405 A408 W409 D416 K421 M422 Y423	L405-A419 VanDerWaalsContact O-CB 3.31Å; L405-A419 WeakPolarHBondContact O-CB 3.3Å; A408-A419 HydrophobicContact CB-CB 4.28Å; W409-A419 HydrophobicContact CB-CB 4.33Å; D416-A419 HydrophobicContact CB-CB 4.18Å; D416-A419 VanDerWaalsContact CG-CB 3.47Å; D416-A419 PolarHBondContact O-N 3.03Å; D416-A419 WeakPolarHBondContact OD1-CB 3.49Å; D416-A419 PolarHBondContact OD1-N 3.26Å; A419-K421 PolarHBondContact O-N 2.9Å; A419-M422 PolarHBondContact O-N 2.86Å; A419-Y423 WeakPolarHBondContact O-CB 3.47Å; A419-Y423 PolarHBondContact O-N 3Å
420	R	96.4	Very high	96.3	Very high	13 Å²	13	36 Å²	36	5%	0.049	18%	0.179	C	C	.	.	H	α-helix	trans	-57.9	-47.5	175.1	-178.1	67.8	-156.6	-153.7	17.6	112.1	W409 D416 E418 M422 Y423 D424 G471 D473 G474	W409-R420 HydrophobicContact CB-CB 4.21Å; W409-R420 HydrophobicContact CD2-CB 4.05Å; W409-R420 HydrophobicContact CD2-CG 4.22Å; W409-R420 HydrophobicContact CG-CB 3.72Å; W409-R420 HydrophobicContact CG-CG 4.41Å; W409-R420 VanDerWaalsContact CH2-NH1 3.35Å; D416-R420 PolarHBondContact O-N 3.23Å; E418-R420 VanDerWaalsContact C-N 3.34Å; E418-R420 PolarHBondContact O-N 2.94Å; R420-M422 PolarHBondContact O-N 2.79Å; R420-Y423 WeakPolarHBondContact O-CB 3.42Å; R420-Y423 PolarHBondContact O-N 3.29Å; R420-D424 IonicContact CZ-OD1 3.69Å; R420-D424 VanDerWaalsContact CZ-OD1 3.3Å; R420-D424 IonicContact NE-OD1 2.84Å; R420-D424 PolarHBondContact NE-OD1 3.21Å; R420-D424 IonicContact NE-OD2 3.79Å; R420-D424 PolarHBondContact NE-OD2 2.85Å; R420-D424 IonicContact NH2-OD1 3.79Å; R420-D424 PolarHBondContact NH2-OD1 3.15Å; R420-D424 PolarHBondContact O-N 3.23Å; R420-G471 PolarHBondContact NH1-O 3.42Å; R420-G471 PolarHBondContact NH2-O 3.34Å; R420-D473 PolarHBondContact NH1-O 2.88Å; R420-G474 VanDerWaalsContact CZ-O 3.24Å; R420-G474 VanDerWaalsContact NH1-C 3.31Å; R420-G474 PolarHBondContact NH1-O 2.94Å
421	K	95.9	Very high	96.4	Very high	91 Å²	91	36.9 Å²	36.9	40%	0.396	18%	0.182	S	C	.	.	H	α-helix	trans	-62.8	-43.4	178.8	176.2	167.6	170	40.4	0	111.6	H417 E418 A419 Y423 D424 D425	H417-K421 WeakPolarHBondContact O-CB 3.25Å; H417-K421 PolarHBondContact O-N 2.85Å; E418-K421 PolarHBondContact O-N 2.99Å; A419-K421 PolarHBondContact O-N 2.9Å; K421-Y423 VanDerWaalsContact C-N 3.3Å; K421-Y423 PolarHBondContact O-N 3.33Å; K421-D424 PolarHBondContact O-N 3.02Å; K421-D425 IonicContact NZ-OD1 2.67Å; K421-D425 PolarHBondContact NZ-OD1 3.47Å; K421-D425 IonicContact NZ-OD2 3.96Å; K421-D425 PolarHBondContact NZ-OD2 2.64Å; K421-D425 WeakPolarHBondContact O-CB 3.19Å; K421-D425 PolarHBondContact O-N 3.13Å
422	M	97.7	Very high	96.4	Very high	6 Å²	6	43.9 Å²	43.9	3%	0.03	21%	0.213	C	C	.	.	H	α-helix	trans	-61.9	-40.5	177.8	-71.7	177.1	67	0	0	111.6	L366 Q367 F401 L405 E418 A419 R420 A426	L366-M422 HydrophobicContact CB-CE 4.47Å; Q367-M422 HydrophobicContact CG-CE 4.13Å; Q367-M422 HydrophobicContact CG-CG 4.3Å; Q367-M422 HydrophobicContact CG-SD 3.66Å; F401-M422 HydrophobicContact CZ-CE 4.48Å; L405-M422 HydrophobicContact CD1-CB 3.92Å; L405-M422 HydrophobicContact CD2-CB 3.95Å; L405-M422 HydrophobicContact CD2-CE 3.87Å; L405-M422 HydrophobicContact CD2-SD 4.24Å; L405-M422 HydrophobicContact CG-CB 4.45Å; E418-M422 HydrophobicContact CG-SD 4.39Å; E418-M422 WeakPolarHBondContact O-CG 3.06Å; E418-M422 PolarHBondContact O-N 3.19Å; A419-M422 PolarHBondContact O-N 2.86Å; R420-M422 PolarHBondContact O-N 2.79Å; M422-A426 VanDerWaalsContact O-CB 3.25Å; M422-A426 WeakPolarHBondContact O-CB 3.38Å; M422-A426 PolarHBondContact O-N 3.14Å
423	Y	98.1	Very high	96.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61.2	-56.2	174	172.2	-100.5	0	0	0	111.3	L406 A419 R420 K421 D425 A426 I427 M467	L406-Y423 HydrophobicContact CB-CD1 4.47Å; L406-Y423 HydrophobicContact CB-CD2 3.67Å; L406-Y423 HydrophobicContact CB-CE2 3.75Å; L406-Y423 HydrophobicContact CB-CG 4.04Å; L406-Y423 HydrophobicContact CD1-CD1 4.28Å; L406-Y423 HydrophobicContact CD1-CE1 4.14Å; L406-Y423 HydrophobicContact CD2-CE2 4.17Å; L406-Y423 HydrophobicContact CG-CE2 4.43Å; A419-Y423 WeakPolarHBondContact O-CB 3.47Å; A419-Y423 PolarHBondContact O-N 3Å; R420-Y423 WeakPolarHBondContact O-CB 3.42Å; R420-Y423 PolarHBondContact O-N 3.29Å; K421-Y423 VanDerWaalsContact C-N 3.3Å; K421-Y423 PolarHBondContact O-N 3.33Å; Y423-D425 VanDerWaalsContact C-N 3.34Å; Y423-D425 PolarHBondContact O-N 2.64Å; Y423-A426 WeakPolarHBondContact O-CA 3.41Å; Y423-A426 WeakPolarHBondContact O-CB 3.33Å; Y423-A426 PolarHBondContact O-N 3.4Å; Y423-I427 HydrophobicContact CD1-CG1 4.23Å; Y423-I427 HydrophobicContact CD2-CD1 4.09Å; Y423-I427 HydrophobicContact CD2-CG1 3.92Å; Y423-I427 HydrophobicContact CE1-CG1 3.86Å; Y423-I427 HydrophobicContact CE2-CD1 3.66Å; Y423-I427 HydrophobicContact CE2-CG1 3.53Å; Y423-I427 HydrophobicContact CG-CG1 4.27Å; Y423-I427 WeakPolarHBondContact O-CG1 3.23Å; Y423-I427 PolarHBondContact O-N 3.1Å; Y423-M467 HydrophobicContact CE2-CE 4.33Å; Y423-M467 HydrophobicContact CE2-CG 3.97Å; Y423-M467 HydrophobicContact CE2-SD 3.86Å; Y423-M467 PolarHBondContact OH-O 2.87Å
424	D	96.7	Very high	96.6	Very high	6 Å²	6	41.8 Å²	41.8	3%	0.032	20%	0.199	C	C	.	.	H	α-helix	trans	-57.2	-47.3	-177.5	-68.3	-25.5	0	0	0	111.3	R420 K421 A426 I427 E428 R476	R420-D424 IonicContact CZ-OD1 3.69Å; R420-D424 VanDerWaalsContact CZ-OD1 3.3Å; R420-D424 IonicContact NE-OD1 2.84Å; R420-D424 PolarHBondContact NE-OD1 3.21Å; R420-D424 IonicContact NE-OD2 3.79Å; R420-D424 PolarHBondContact NE-OD2 2.85Å; R420-D424 IonicContact NH2-OD1 3.79Å; R420-D424 PolarHBondContact NH2-OD1 3.15Å; R420-D424 PolarHBondContact O-N 3.23Å; K421-D424 PolarHBondContact O-N 3.02Å; D424-A426 VanDerWaalsContact C-N 3.27Å; D424-A426 PolarHBondContact O-N 2.79Å; D424-I427 PolarHBondContact O-N 3.41Å; D424-E428 WeakPolarHBondContact O-CG 3.29Å; D424-E428 PolarHBondContact O-N 3.28Å; D424-R476 IonicContact OD2-NE 3.3Å
425	D	96.5	Very high	96.8	Very high	37 Å²	37	38.9 Å²	38.9	20%	0.198	19%	0.187	C	C	.	.	H	α-helix	trans	-61.7	-35.8	177.9	-68.7	1.4	0	0	0	111.7	R371 K421 Y423 A429	R371-D425 IonicContact NH2-OD2 3.85Å; K421-D425 IonicContact NZ-OD1 2.67Å; K421-D425 PolarHBondContact NZ-OD1 3.47Å; K421-D425 IonicContact NZ-OD2 3.96Å; K421-D425 PolarHBondContact NZ-OD2 2.64Å; K421-D425 WeakPolarHBondContact O-CB 3.19Å; K421-D425 PolarHBondContact O-N 3.13Å; Y423-D425 VanDerWaalsContact C-N 3.34Å; Y423-D425 PolarHBondContact O-N 2.64Å; D425-A429 PolarHBondContact O-N 3.16Å
426	A	97.8	Very high	96.9	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.008	18%	0.18	C	C	.	.	H	α-helix	trans	-71.5	-43.7	178	0	0	0	0	0	111.6	Y376 Y402 M422 Y423 D424 A429 I430	Y376-A426 HydrophobicContact CD2-CB 4.4Å; Y376-A426 HydrophobicContact CE2-CB 4.01Å; Y402-A426 HydrophobicContact CD1-CB 4.01Å; Y402-A426 HydrophobicContact CE1-CB 4.2Å; M422-A426 VanDerWaalsContact O-CB 3.25Å; M422-A426 WeakPolarHBondContact O-CB 3.38Å; M422-A426 PolarHBondContact O-N 3.14Å; Y423-A426 WeakPolarHBondContact O-CA 3.41Å; Y423-A426 WeakPolarHBondContact O-CB 3.33Å; Y423-A426 PolarHBondContact O-N 3.4Å; D424-A426 VanDerWaalsContact C-N 3.27Å; D424-A426 PolarHBondContact O-N 2.79Å; A426-A429 PolarHBondContact O-N 3.27Å; A426-I430 VanDerWaalsContact O-CG1 3.26Å; A426-I430 WeakPolarHBondContact O-CG1 3.38Å; A426-I430 PolarHBondContact O-N 3.48Å
427	I	97.2	Very high	97	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-63.7	-42.6	179.2	-62.1	-35.9	0	0	0	110.7	Y423 D424 A429 I430 E431 M467 F468 Y483	Y423-I427 HydrophobicContact CD1-CG1 4.23Å; Y423-I427 HydrophobicContact CD2-CD1 4.09Å; Y423-I427 HydrophobicContact CD2-CG1 3.92Å; Y423-I427 HydrophobicContact CE1-CG1 3.86Å; Y423-I427 HydrophobicContact CE2-CD1 3.66Å; Y423-I427 HydrophobicContact CE2-CG1 3.53Å; Y423-I427 HydrophobicContact CG-CG1 4.27Å; Y423-I427 WeakPolarHBondContact O-CG1 3.23Å; Y423-I427 PolarHBondContact O-N 3.1Å; D424-I427 PolarHBondContact O-N 3.41Å; I427-A429 VanDerWaalsContact C-N 3.28Å; I427-A429 PolarHBondContact O-N 3.44Å; I427-I430 HydrophobicContact CD1-CD1 3.94Å; I427-I430 WeakPolarHBondContact O-CB 3.25Å; I427-I430 PolarHBondContact O-N 2.94Å; I427-I430 VanDerWaalsContact O-N 3.11Å; I427-E431 HydrophobicContact CG2-CG 4.19Å; I427-E431 WeakPolarHBondContact O-CG 3.49Å; I427-E431 PolarHBondContact O-N 2.87Å; I427-M467 HydrophobicContact CD1-CE 3.93Å; I427-F468 HydrophobicContact CD1-CE1 3.87Å; I427-F468 HydrophobicContact CG1-CE1 4.25Å; I427-F468 HydrophobicContact CG2-CD1 4.26Å; I427-F468 HydrophobicContact CG2-CE1 3.79Å; I427-Y483 HydrophobicContact CG2-CD1 4.38Å; I427-Y483 HydrophobicContact CG2-CE1 3.51Å
428	E	96.2	Very high	97	Very high	95 Å²	95	38.7 Å²	38.7	44%	0.444	18%	0.178	S	C	.	.	H	α-helix	trans	-59.1	-39.5	176	-72.3	-173.6	166.3	0	0	112.4	D424 K432 K479	D424-E428 WeakPolarHBondContact O-CG 3.29Å; D424-E428 PolarHBondContact O-N 3.28Å; E428-K432 WeakPolarHBondContact O-CB 3.38Å; E428-K432 PolarHBondContact O-N 3.41Å; E428-K479 IonicContact OE1-NZ 2.83Å; E428-K479 PolarHBondContact OE1-NZ 2.98Å
429	A	97.3	Very high	96.9	Very high	9 Å²	9	45.8 Å²	45.8	7%	0.074	20%	0.203	C	C	.	.	H	α-helix	trans	-68.9	-41	174.9	0	0	0	0	0	112.2	G374 L375 D425 A426 I427 K432 H433	G374-A429 WeakPolarHBondContact O-CB 3.4Å; L375-A429 HydrophobicContact CD2-CB 3.96Å; D425-A429 PolarHBondContact O-N 3.16Å; A426-A429 PolarHBondContact O-N 3.27Å; I427-A429 VanDerWaalsContact C-N 3.28Å; I427-A429 PolarHBondContact O-N 3.44Å; A429-K432 PolarHBondContact O-N 3.45Å; A429-H433 WeakPolarHBondContact O-CB 3.32Å; A429-H433 PolarHBondContact O-CD2 2.87Å; A429-H433 VanDerWaalsContact O-CD2 3.27Å; A429-H433 PolarHBondContact O-N 3.03Å
430	I	98.2	Very high	96.7	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-61.3	-48.8	176.4	-72.8	163.7	0	0	0	110.6	L375 V394 Y402 A426 I427 K432 H433 L434 I435 I445	L375-I430 HydrophobicContact CD2-CG1 4.33Å; V394-I430 HydrophobicContact CG2-CD1 3.74Å; V394-I430 HydrophobicContact CG2-CG1 3.91Å; V394-I430 HydrophobicContact CG2-CG2 3.86Å; Y402-I430 HydrophobicContact CD1-CD1 3.96Å; Y402-I430 HydrophobicContact CD2-CD1 4.45Å; Y402-I430 HydrophobicContact CE1-CD1 3.94Å; Y402-I430 HydrophobicContact CE2-CD1 4.42Å; Y402-I430 HydrophobicContact CG-CD1 4.23Å; A426-I430 VanDerWaalsContact O-CG1 3.26Å; A426-I430 WeakPolarHBondContact O-CG1 3.38Å; A426-I430 PolarHBondContact O-N 3.48Å; I427-I430 HydrophobicContact CD1-CD1 3.94Å; I427-I430 WeakPolarHBondContact O-CB 3.25Å; I427-I430 PolarHBondContact O-N 2.94Å; I427-I430 VanDerWaalsContact O-N 3.11Å; I430-K432 VanDerWaalsContact C-N 3.33Å; I430-K432 PolarHBondContact O-N 3.14Å; I430-H433 PolarHBondContact O-N 3.47Å; I430-L434 HydrophobicContact CG1-CD1 4.13Å; I430-L434 HydrophobicContact CG2-CB 4.32Å; I430-L434 HydrophobicContact CG2-CD1 4.36Å; I430-L434 WeakPolarHBondContact O-CA 3.42Å; I430-L434 WeakPolarHBondContact O-CB 3.37Å; I430-L434 PolarHBondContact O-N 3.11Å; I430-I435 HydrophobicContact CG2-CD1 4.27Å; I430-I435 HydrophobicContact CG2-CG1 4.09Å; I430-I435 PolarHBondContact O-N 3.21Å; I430-I435 VanDerWaalsContact O-N 3.09Å; I430-I445 HydrophobicContact CG2-CG2 4.4Å
431	E	97.4	Very high	96.7	Very high	43 Å²	43	48.6 Å²	48.6	20%	0.201	24%	0.236	C	C	.	.	H	α-helix	trans	-57.4	-47.3	177.7	-72.7	-160.8	-105.7	0	0	111.6	I427 I435 H482 Y483 L486	I427-E431 HydrophobicContact CG2-CG 4.19Å; I427-E431 WeakPolarHBondContact O-CG 3.49Å; I427-E431 PolarHBondContact O-N 2.87Å; E431-I435 HydrophobicContact CB-CD1 4.5Å; E431-I435 HydrophobicContact CG-CD1 3.94Å; E431-H482 IonicContact OE1-CD2 3.3Å; E431-H482 IonicContact OE1-NE2 3.9Å; E431-H482 PolarHBondContact OE1-NE2 2.86Å; E431-H482 IonicContact OE2-CD2 2.61Å; E431-H482 IonicContact OE2-CE1 2.7Å; E431-H482 PolarHBondContact OE2-CE1 3.38Å; E431-H482 IonicContact OE2-NE2 3.59Å; E431-H482 PolarHBondContact OE2-NE2 3.2Å; E431-Y483 VanDerWaalsContact OE1-CE1 3.23Å; E431-Y483 WeakPolarHBondContact OE1-CE1 3.27Å; E431-L486 HydrophobicContact CG-CD2 4.16Å
432	K	96.9	Very high	96.8	Very high	151 Å²	151	44.3 Å²	44.3	66%	0.657	22%	0.217	S	C	*	.	H	α-helix	trans	-62.8	-47	-179.5	-176.1	175.7	176.7	-175.9	0	112.1	E428 A429 I430 K436	E428-K432 WeakPolarHBondContact O-CB 3.38Å; E428-K432 PolarHBondContact O-N 3.41Å; A429-K432 PolarHBondContact O-N 3.45Å; I430-K432 VanDerWaalsContact C-N 3.33Å; I430-K432 PolarHBondContact O-N 3.14Å; K432-K436 PolarHBondContact O-NZ 2.62Å
433	H	96.9	Very high	96.8	Very high	37 Å²	37	44.9 Å²	44.9	17%	0.171	22%	0.22	C	C	.	.	H	α-helix	trans	-101.3	-34.7	-166	-67.4	-69.7	0	0	0	114.4	N373 L375 A429 I430	N373-H433 PolarHBondContact O-CD2 3.37Å; N373-H433 PolarHBondContact O-NE2 3.1Å; L375-H433 HydrophobicContact CD1-CB 3.98Å; L375-H433 HydrophobicContact CD2-CB 4.45Å; L375-H433 HydrophobicContact CG-CB 4.49Å; A429-H433 WeakPolarHBondContact O-CB 3.32Å; A429-H433 PolarHBondContact O-CD2 2.87Å; A429-H433 VanDerWaalsContact O-CD2 3.27Å; A429-H433 PolarHBondContact O-N 3.03Å; I430-H433 PolarHBondContact O-N 3.47Å
434	L	98	Very high	96.8	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-32.8	-171	-55.9	-177.8	0	0	0	113.5	L375 T392 V394 I430 I445 G446 W448 L453	L375-L434 HydrophobicContact CD1-CD2 4.31Å; L375-L434 HydrophobicContact CD2-CD1 4.25Å; L375-L434 HydrophobicContact CD2-CG 4.35Å; T392-L434 HydrophobicContact CG2-CD1 4.11Å; V394-L434 HydrophobicContact CG2-CD1 3.78Å; I430-L434 HydrophobicContact CG1-CD1 4.13Å; I430-L434 HydrophobicContact CG2-CB 4.32Å; I430-L434 HydrophobicContact CG2-CD1 4.36Å; I430-L434 WeakPolarHBondContact O-CA 3.42Å; I430-L434 WeakPolarHBondContact O-CB 3.37Å; I430-L434 PolarHBondContact O-N 3.11Å; L434-I445 HydrophobicContact CB-CG2 3.9Å; L434-G446 PolarHBondContact O-N 3.38Å; L434-W448 HydrophobicContact CD2-CB 3.7Å; L434-L453 HydrophobicContact CD2-CD1 3.88Å
435	I	98.3	Very high	96.9	Very high	20 Å²	20	44.9 Å²	44.9	10%	0.103	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	128.2	-178.7	-55.1	-167.3	0	0	0	110.4	I430 E431 V443 F444 I445 F468 L486	I430-I435 HydrophobicContact CG2-CD1 4.27Å; I430-I435 HydrophobicContact CG2-CG1 4.09Å; I430-I435 PolarHBondContact O-N 3.21Å; I430-I435 VanDerWaalsContact O-N 3.09Å; E431-I435 HydrophobicContact CB-CD1 4.5Å; E431-I435 HydrophobicContact CG-CD1 3.94Å; I435-V443 HydrophobicContact CG2-CG1 3.55Å; I435-F444 WeakPolarHBondContact CA-O 2.98Å; I435-I445 HydrophobicContact CD1-CG1 4.47Å; I435-I445 HydrophobicContact CG1-CG1 4.23Å; I435-F468 HydrophobicContact CD1-CE2 4.32Å; I435-F468 HydrophobicContact CD1-CZ 4.19Å; I435-L486 HydrophobicContact CD1-CD1 4Å; I435-L486 HydrophobicContact CD1-CD2 3.87Å; I435-L486 HydrophobicContact CD1-CG 4.44Å; I435-L486 HydrophobicContact CG2-CD1 4.37Å
436	K	97.3	Very high	96.9	Very high	81 Å²	81	43.1 Å²	43.1	35%	0.352	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	163.9	177.6	-63.1	-66.8	162.6	-100.5	0	110.4	K432 V443 F444 L453	K432-K436 PolarHBondContact O-NZ 2.62Å; K436-V443 WeakPolarHBondContact O-CA 3.48Å; K436-F444 HydrophobicContact CB-CE1 3.82Å; K436-F444 HydrophobicContact CB-CE2 4.2Å; K436-F444 HydrophobicContact CB-CZ 3.62Å; K436-F444 HydrophobicContact CG-CZ 4.49Å; K436-F444 PolarHBondContact N-O 2.96Å; K436-F444 WeakPolarHBondContact O-CD1 3.33Å; K436-F444 PolarHBondContact O-N 3.37Å; K436-L453 HydrophobicContact CD-CD2 4.27Å; K436-L453 HydrophobicContact CG-CD2 3.42Å; K436-L453 VanDerWaalsContact CG-CD2 3.42Å
437	K	96.9	Very high	96.9	Very high	144 Å²	144	44 Å²	44	63%	0.626	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-107	132	174.1	-162.3	167.1	-173.7	166.3	0	109.5	G441 L442 V443	K437-G441 VanDerWaalsContact CE-CA 3.48Å; K437-G441 WeakPolarHBondContact CE-O 3.48Å; K437-L442 CarbonylContact C-O 3.59Å; K437-L442 WeakPolarHBondContact CA-O 3.17Å; K437-V443 HydrophobicContact CG-CG2 4.49Å
438	S	95.9	Very high	96.8	Very high	16 Å²	16	46.4 Å²	46.4	11%	0.112	22%	0.224	C	C	.	.			trans	-74.4	177.4	174.4	64.3	0	0	0	0	111.5	G441 L442 E517	S438-G441 PolarHBondContact O-N 2.65Å; S438-L442 PolarHBondContact N-O 3.41Å; S438-L442 WeakPolarHBondContact OG-CA 3.1Å; S438-L442 VanDerWaalsContact OG-CB 3.3Å; S438-L442 WeakPolarHBondContact OG-CB 3.5Å; S438-L442 PolarHBondContact OG-N 2.86Å; S438-L442 PolarHBondContact OG-O 2.94Å; S438-L442 VanDerWaalsContact OG-O 3.04Å; S438-E517 WeakPolarHBondContact CB-OE1 3.37Å
439	R	91.8	Very high	96.6	Very high	211 Å²	211	44.8 Å²	44.8	80%	0.796	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-38.8	-178	-70.2	179.4	172.8	179.3	-4.8	111.5	G441 G514 E517	R439-G441 PolarHBondContact O-N 2.87Å; R439-G514 PolarHBondContact NH1-O 3.11Å; R439-E517 WeakPolarHBondContact CA-OE1 3.36Å; R439-E517 WeakPolarHBondContact CB-OE1 3.25Å; R439-E517 PolarHBondContact N-OE1 2.97Å
440	G	93.1	Very high	96	Very high	56 Å²	56	50.5 Å²	50.5	58%	0.577	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.9	3.5	172.7	0	0	0	0	0	113.7	E517	G440-E517 VanDerWaalsContact CA-OE2 3.29Å; G440-E517 WeakPolarHBondContact CA-OE2 3.31Å; G440-E517 PolarHBondContact N-OE1 2.81Å; G440-E517 PolarHBondContact N-OE2 2.88Å
441	G	95.9	Very high	95.4	Very high	16 Å²	16	53.1 Å²	53.1	17%	0.165	27%	0.272	C	S	.	.			trans	86.3	11	172	0	0	0	0	0	115.1	K437 S438 R439 R492	K437-G441 VanDerWaalsContact CE-CA 3.48Å; K437-G441 WeakPolarHBondContact CE-O 3.48Å; S438-G441 PolarHBondContact O-N 2.65Å; R439-G441 PolarHBondContact O-N 2.87Å; G441-R492 PolarHBondContact O-NH2 3.05Å
442	L	98.1	Very high	95.1	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.005	28%	0.284	C	S	.	.			trans	-73.5	131	170.8	-62.2	171.8	0	0	0	111.4	K437 S438 T493 E496 F512 E517 A518	K437-L442 CarbonylContact C-O 3.59Å; K437-L442 WeakPolarHBondContact CA-O 3.17Å; S438-L442 PolarHBondContact N-O 3.41Å; S438-L442 WeakPolarHBondContact OG-CA 3.1Å; S438-L442 VanDerWaalsContact OG-CB 3.3Å; S438-L442 WeakPolarHBondContact OG-CB 3.5Å; S438-L442 PolarHBondContact OG-N 2.86Å; S438-L442 PolarHBondContact OG-O 2.94Å; S438-L442 VanDerWaalsContact OG-O 3.04Å; L442-T493 HydrophobicContact CB-CG2 4.35Å; L442-T493 WeakPolarHBondContact CB-OG1 3.24Å; L442-E496 HydrophobicContact CD1-CB 4.29Å; L442-E496 HydrophobicContact CD2-CB 4.21Å; L442-E496 HydrophobicContact CD2-CG 3.78Å; L442-F512 HydrophobicContact CB-CE1 4.17Å; L442-F512 HydrophobicContact CD1-CE1 4.18Å; L442-E517 HydrophobicContact CD1-CB 4.41Å; L442-A518 HydrophobicContact CD1-CB 3.9Å
443	V	98.4	Very high	95	Very high	17 Å²	17	50.3 Å²	50.3	10%	0.103	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	128.3	172.5	179	0	0	0	0	109	I435 K436 K437 L486 E489 I490 T493	I435-V443 HydrophobicContact CG2-CG1 3.55Å; K436-V443 WeakPolarHBondContact O-CA 3.48Å; K437-V443 HydrophobicContact CG-CG2 4.49Å; V443-L486 HydrophobicContact CG1-CD1 4.12Å; V443-E489 HydrophobicContact CB-CB 4.02Å; V443-E489 HydrophobicContact CG2-CB 3.99Å; V443-E489 HydrophobicContact CG2-CG 4.22Å; V443-E489 WeakPolarHBondContact CG2-OE2 3.34Å; V443-I490 HydrophobicContact CG1-CD1 4.15Å; V443-T493 PolarHBondContact N-OG1 3.2Å; V443-T493 VanDerWaalsContact O-CB 3.24Å; V443-T493 WeakPolarHBondContact O-CB 3.36Å; V443-T493 WeakPolarHBondContact O-CG2 3.38Å; V443-T493 PolarHBondContact O-OG1 2.93Å
444	F	98.3	Very high	94.9	Very high	3 Å²	3	50.8 Å²	50.8	1%	0.013	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	157.7	-178.1	70.3	-89.1	0	0	0	111.8	I435 K436 K455 M457 T493 F512	I435-F444 WeakPolarHBondContact CA-O 2.98Å; K436-F444 HydrophobicContact CB-CE1 3.82Å; K436-F444 HydrophobicContact CB-CE2 4.2Å; K436-F444 HydrophobicContact CB-CZ 3.62Å; K436-F444 HydrophobicContact CG-CZ 4.49Å; K436-F444 PolarHBondContact N-O 2.96Å; K436-F444 WeakPolarHBondContact O-CD1 3.33Å; K436-F444 PolarHBondContact O-N 3.37Å; F444-K455 HydrophobicContact CE2-CB 4.05Å; F444-K455 HydrophobicContact CE2-CG 4.23Å; F444-K455 HydrophobicContact CZ-CB 4.02Å; F444-K455 HydrophobicContact CZ-CD 4.25Å; F444-K455 HydrophobicContact CZ-CG 3.93Å; F444-M457 HydrophobicContact CB-SD 4.07Å; F444-T493 HydrophobicContact CB-CG2 4.43Å; F444-F512 HydrophobicContact CB-CD1 4.19Å; F444-F512 HydrophobicContact CB-CD2 3.68Å; F444-F512 HydrophobicContact CB-CE1 3.88Å; F444-F512 HydrophobicContact CB-CE2 3.34Å; F444-F512 HydrophobicContact CB-CG 4.09Å; F444-F512 HydrophobicContact CB-CZ 3.44Å; F444-F512 VanDerWaalsContact CB-CZ 3.44Å; F444-F512 HydrophobicContact CD1-CB 3.85Å; F444-F512 AromaticContact CD1-CD1 3.8Å; F444-F512 HydrophobicContact CD1-CD1 3.8Å; F444-F512 AromaticContact CD1-CD2 3.86Å; F444-F512 HydrophobicContact CD1-CD2 3.86Å; F444-F512 HydrophobicContact CD1-CE1 4.3Å; F444-F512 HydrophobicContact CD1-CE2 4.37Å; F444-F512 AromaticContact CD1-CG 3.54Å; F444-F512 HydrophobicContact CD1-CG 3.54Å; F444-F512 HydrophobicContact CD2-CB 4.48Å; F444-F512 AromaticContact CD2-CD2 3.6Å; F444-F512 HydrophobicContact CD2-CD2 3.6Å; F444-F512 HydrophobicContact CD2-CE2 4.04Å; F444-F512 HydrophobicContact CD2-CG 4.11Å; F444-F512 HydrophobicContact CE1-CB 3.68Å; F444-F512 HydrophobicContact CE1-CD1 4.44Å; F444-F512 HydrophobicContact CE1-CD2 4.4Å; F444-F512 AromaticContact CE1-CG 3.93Å; F444-F512 HydrophobicContact CE1-CG 3.93Å; F444-F512 HydrophobicContact CE2-CB 4.35Å; F444-F512 HydrophobicContact CE2-CD2 4.19Å; F444-F512 HydrophobicContact CE2-CG 4.47Å; F444-F512 HydrophobicContact CG-CB 4.25Å; F444-F512 HydrophobicContact CG-CD1 4.08Å; F444-F512 AromaticContact CG-CD2 3.42Å; F444-F512 HydrophobicContact CG-CD2 3.42Å; F444-F512 VanDerWaalsContact CG-CD2 3.42Å; F444-F512 HydrophobicContact CG-CE1 4.28Å; F444-F512 AromaticContact CG-CE2 3.68Å; F444-F512 HydrophobicContact CG-CE2 3.68Å; F444-F512 AromaticContact CG-CG 3.64Å; F444-F512 HydrophobicContact CG-CG 3.64Å; F444-F512 HydrophobicContact CG-CZ 4.1Å; F444-F512 HydrophobicContact CZ-CB 3.95Å; F444-F512 HydrophobicContact CZ-CG 4.38Å
445	I	98.4	Very high	94.9	Very high	3 Å²	3	56.4 Å²	56.4	2%	0.015	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	109.4	173.7	-44.6	176.7	0	0	0	108.1	V394 I430 L434 I435 M457 A464 F468 I490	V394-I445 HydrophobicContact CB-CG2 3.97Å; V394-I445 HydrophobicContact CG1-CD1 4.49Å; V394-I445 HydrophobicContact CG2-CG2 3.79Å; I430-I445 HydrophobicContact CG2-CG2 4.4Å; L434-I445 HydrophobicContact CB-CG2 3.9Å; I435-I445 HydrophobicContact CD1-CG1 4.47Å; I435-I445 HydrophobicContact CG1-CG1 4.23Å; I445-M457 HydrophobicContact CD1-CE 4.43Å; I445-M457 HydrophobicContact CG1-CE 4.31Å; I445-M457 WeakPolarHBondContact O-CB 3.48Å; I445-A464 HydrophobicContact CD1-CB 3.6Å; I445-F468 HydrophobicContact CD1-CE2 4.11Å; I445-F468 HydrophobicContact CD1-CZ 4.36Å; I445-I490 HydrophobicContact CD1-CD1 4.13Å; I445-I490 HydrophobicContact CG1-CD1 3.72Å
446	G	97.3	Very high	94.7	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.01	29%	0.29	C	S	.	.			trans	-81.1	174.6	175.8	0	0	0	0	0	112.9	L434 E454	L434-G446 PolarHBondContact O-N 3.38Å; G446-E454 WeakPolarHBondContact CA-O 3.36Å
447	E	96.4	Very high	94.8	Very high	20 Å²	20	53 Å²	53	9%	0.093	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	137.2	175.8	-55.3	-166.2	144.5	0	0	110.7	S393 K449 L453 E454	S393-E447 WeakPolarHBondContact OG-CG 3.28Å; S393-E447 PolarHBondContact OG-OE1 3.12Å; E447-K449 WeakPolarHBondContact OE2-CE 3.43Å; E447-K449 IonicContact OE2-NZ 2.64Å; E447-K449 PolarHBondContact OE2-NZ 3.47Å; E447-L453 CarbonylContact O-C 3.53Å; E447-E454 PolarHBondContact N-O 3.1Å; E447-E454 PolarHBondContact O-N 3.42Å
448	W	95.6	Very high	94.8	Very high	50 Å²	50	46.8 Å²	46.8	19%	0.189	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	112.7	172.7	-166.5	-90.5	0	0	0	110	L375 H391 T392 L434 G451 L453	L375-W448 HydrophobicContact CD1-CB 4.28Å; L375-W448 HydrophobicContact CD1-CD2 4.49Å; L375-W448 HydrophobicContact CD1-CG 4.27Å; H391-W448 CarbonylContact C-O 3.58Å; H391-W448 VanDerWaalsContact CA-O 3.31Å; H391-W448 WeakPolarHBondContact CA-O 3.34Å; T392-W448 PolarHBondContact N-O 2.72Å; T392-W448 PolarHBondContact O-N 3.47Å; L434-W448 HydrophobicContact CD2-CB 3.7Å; W448-G451 WeakPolarHBondContact CZ2-O 3.5Å; W448-L453 HydrophobicContact CE3-CB 4.31Å; W448-L453 HydrophobicContact CZ3-CB 4.41Å
449	K	91.6	Very high	94.9	Very high	60 Å²	60	46 Å²	46	26%	0.261	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	141.8	-179.8	-73.7	179.2	171.7	160.3	0	110	H391 E447 G451 H452	H391-K449 HydrophobicContact CB-CG 4.33Å; E447-K449 WeakPolarHBondContact OE2-CE 3.43Å; E447-K449 IonicContact OE2-NZ 2.64Å; E447-K449 PolarHBondContact OE2-NZ 3.47Å; K449-G451 PolarHBondContact O-N 2.87Å; K449-H452 PolarHBondContact N-O 3.1Å; K449-H452 PolarHBondContact O-CD2 3.48Å; K449-H452 PolarHBondContact O-N 3.41Å; K449-H452 PolarHBondContact O-ND1 2.99Å
450	N	84.8	Confident	95.3	Very high	130 Å²	130	37.7 Å²	37.7	70%	0.695	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.9	35	177.6	-56	-38	0	0	0	114.4	H452	N450-H452 VanDerWaalsContact C-N 3.3Å; N450-H452 PolarHBondContact O-N 2.86Å
451	G	85.9	Confident	95.5	Very high	55 Å²	55	35.1 Å²	35.1	57%	0.567	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	77	7.3	179.6	0	0	0	0	0	115.6	W448 K449	W448-G451 WeakPolarHBondContact CZ2-O 3.5Å; K449-G451 PolarHBondContact O-N 2.87Å
452	H	91.9	Very high	95.7	Very high	96 Å²	96	34.4 Å²	34.4	44%	0.444	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	159.4	177.2	66.7	68.1	0	0	0	112.3	K449 N450	K449-H452 PolarHBondContact N-O 3.1Å; K449-H452 PolarHBondContact O-CD2 3.48Å; K449-H452 PolarHBondContact O-N 3.41Å; K449-H452 PolarHBondContact O-ND1 2.99Å; N450-H452 VanDerWaalsContact C-N 3.3Å; N450-H452 PolarHBondContact O-N 2.86Å
453	L	94.9	Very high	95.7	Very high	39 Å²	39	34.6 Å²	34.6	20%	0.204	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	117.9	173.4	-175.3	70.8	0	0	0	110.4	L434 K436 E447 W448	L434-L453 HydrophobicContact CD2-CD1 3.88Å; K436-L453 HydrophobicContact CD-CD2 4.27Å; K436-L453 HydrophobicContact CG-CD2 3.42Å; K436-L453 VanDerWaalsContact CG-CD2 3.42Å; E447-L453 CarbonylContact O-C 3.53Å; W448-L453 HydrophobicContact CE3-CB 4.31Å; W448-L453 HydrophobicContact CZ3-CB 4.41Å
454	E	95.3	Very high	95.7	Very high	47 Å²	47	33.8 Å²	33.8	22%	0.22	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	124.9	165.6	-170.8	174.9	-177.5	0	0	109.6	G446 E447 K456	G446-E454 WeakPolarHBondContact CA-O 3.36Å; E447-E454 PolarHBondContact N-O 3.1Å; E447-E454 PolarHBondContact O-N 3.42Å; E454-K456 HydrophobicContact CG-CB 3.95Å; E454-K456 PolarHBondContact O-N 3.29Å
455	K	96.1	Very high	95.7	Very high	119 Å²	119	33.6 Å²	33.6	52%	0.517	18%	0.177	S	C	.	.			trans	-81.2	60.6	179.7	-59.3	-175.4	-175.8	179.3	0	111.6	F444 F512	F444-K455 HydrophobicContact CE2-CB 4.05Å; F444-K455 HydrophobicContact CE2-CG 4.23Å; F444-K455 HydrophobicContact CZ-CB 4.02Å; F444-K455 HydrophobicContact CZ-CD 4.25Å; F444-K455 HydrophobicContact CZ-CG 3.93Å; K455-F512 HydrophobicContact CB-CB 4.32Å; K455-F512 WeakPolarHBondContact CD-O 3.29Å; K455-F512 PolarHBondContact O-N 3.23Å
456	K	95.5	Very high	95.8	Very high	28 Å²	28	33.5 Å²	33.5	12%	0.122	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	137.4	-178.6	-179.2	-175.3	173	-176.7	0	108	E454 S509 F510 K511 E525	E454-K456 HydrophobicContact CG-CB 3.95Å; E454-K456 PolarHBondContact O-N 3.29Å; K456-S509 WeakPolarHBondContact CE-OG 3.43Å; K456-S509 PolarHBondContact NZ-OG 3.19Å; K456-F510 WeakPolarHBondContact CA-O 3.42Å; K456-K511 HydrophobicContact CB-CG 4.48Å; K456-K511 HydrophobicContact CG-CG 4.44Å; K456-E525 IonicContact NZ-OE1 2.67Å; K456-E525 PolarHBondContact NZ-OE1 3.24Å; K456-E525 IonicContact NZ-OE2 3.97Å
457	M	97.9	Very high	95.8	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	137.2	175.4	-171.8	173.2	173.3	0	0	108.6	F444 I445 A461 I490 S509 F510 F512	F444-M457 HydrophobicContact CB-SD 4.07Å; I445-M457 HydrophobicContact CD1-CE 4.43Å; I445-M457 HydrophobicContact CG1-CE 4.31Å; I445-M457 WeakPolarHBondContact O-CB 3.48Å; M457-A461 HydrophobicContact CE-CB 3.84Å; M457-A461 WeakPolarHBondContact CE-O 3.43Å; M457-A461 HydrophobicContact CG-CB 3.84Å; M457-I490 HydrophobicContact CE-CG2 4.13Å; M457-S509 CarbonylContact O-C 3.44Å; M457-S509 WeakPolarHBondContact O-CA 3.36Å; M457-S509 WeakPolarHBondContact O-CB 3.4Å; M457-F510 HydrophobicContact CB-CD2 4.13Å; M457-F510 HydrophobicContact CB-CE2 3.66Å; M457-F510 HydrophobicContact CB-CZ 4.16Å; M457-F510 HydrophobicContact CG-CE2 3.92Å; M457-F510 HydrophobicContact CG-CZ 4.04Å; M457-F510 PolarHBondContact N-O 2.91Å; M457-F510 PolarHBondContact O-N 3.45Å; M457-F510 HydrophobicContact SD-CE2 3.95Å; M457-F510 HydrophobicContact SD-CZ 4.21Å; M457-F512 HydrophobicContact CB-CE2 3.76Å
458	G	97.9	Very high	95.9	Very high	13 Å²	13	32.8 Å²	32.8	13%	0.134	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	158.1	173.9	0	0	0	0	0	111.6	L460 A461 E508	G458-L460 PolarHBondContact O-N 2.56Å; G458-A461 WeakPolarHBondContact O-CB 2.88Å; G458-A461 PolarHBondContact O-N 3.44Å; G458-A461 VanDerWaalsContact O-N 3.09Å; G458-E508 CarbonylContact C-O 3.58Å; G458-E508 WeakPolarHBondContact CA-O 3.15Å
459	H	98.8	Very high	96	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	16%	0.164	C	C	.	.	S	Bend	trans	-55.2	-41.8	168.1	-169.4	-71.7	0	0	0	110.9	A461 C462 Y498 E508 Y528 E533	H459-A461 PolarHBondContact O-N 3.45Å; H459-C462 WeakPolarHBondContact O-CB 3.37Å; H459-C462 PolarHBondContact O-N 3.33Å; H459-Y498 AromaticContact CD2-CE2 3.82Å; H459-Y498 PolarHBondContact CE1-OH 3.49Å; H459-Y498 AromaticContact NE2-CE2 3.35Å; H459-Y498 WeakPolarHBondContact NE2-CE2 3.21Å; H459-Y498 AromaticContact NE2-CZ 3.42Å; H459-Y498 PolarHBondContact NE2-OH 2.95Å; H459-E508 PolarHBondContact N-O 2.83Å; H459-Y528 AromaticContact NE2-CE2 3.97Å; H459-E533 IonicContact CE1-OE2 2.93Å; H459-E533 PolarHBondContact CE1-OE2 3.4Å; H459-E533 IonicContact CG-OE2 3.74Å; H459-E533 IonicContact ND1-OE2 3.73Å; H459-E533 PolarHBondContact ND1-OE2 2.92Å
460	L	98.4	Very high	96.3	Very high	35 Å²	35	28.3 Å²	28.3	18%	0.183	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-48.9	-45.3	173.5	-72.8	174	0	0	0	112.1	G458 C462 F463 E533	G458-L460 PolarHBondContact O-N 2.56Å; L460-C462 PolarHBondContact O-N 2.85Å; L460-F463 VanDerWaalsContact O-CD1 3.23Å; L460-F463 WeakPolarHBondContact O-CD1 3.23Å; L460-F463 PolarHBondContact O-N 3.42Å; L460-E533 HydrophobicContact CD2-CG 4.47Å; L460-E533 WeakPolarHBondContact CD2-OE1 3.35Å
461	A	98.6	Very high	96.8	Very high	3 Å²	3	22.1 Å²	22.1	3%	0.025	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-66	-7.9	-178	0	0	0	0	0	114.1	V394 M457 G458 H459 F463 A464	V394-A461 WeakPolarHBondContact O-CA 3.24Å; M457-A461 HydrophobicContact CE-CB 3.84Å; M457-A461 WeakPolarHBondContact CE-O 3.43Å; M457-A461 HydrophobicContact CG-CB 3.84Å; G458-A461 WeakPolarHBondContact O-CB 2.88Å; G458-A461 PolarHBondContact O-N 3.44Å; G458-A461 VanDerWaalsContact O-N 3.09Å; H459-A461 PolarHBondContact O-N 3.45Å; A461-F463 VanDerWaalsContact C-N 3.25Å; A461-F463 PolarHBondContact O-N 3.06Å; A461-A464 VanDerWaalsContact O-CB 3.3Å; A461-A464 WeakPolarHBondContact O-CB 3.43Å; A461-A464 PolarHBondContact O-N 3.43Å
462	C	98.9	Very high	97.2	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-69.9	-19.4	174.4	-71.8	0	0	0	0	113.5	H459 L460 A464 G465 C494 E533 V534 T537	H459-C462 WeakPolarHBondContact O-CB 3.37Å; H459-C462 PolarHBondContact O-N 3.33Å; L460-C462 PolarHBondContact O-N 2.85Å; C462-A464 PolarHBondContact O-N 3.1Å; C462-A464 VanDerWaalsContact O-N 3.16Å; C462-G465 PolarHBondContact O-N 2.72Å; C462-C494 WeakPolarHBondContact CA-SG 3.35Å; C462-C494 HydrophobicContact CB-CB 3.87Å; C462-C494 WeakPolarHBondContact CB-SG 3.43Å; C462-C494 WeakPolarHBondContact SG-CB 3.32Å; C462-C494 CovalentContact SG-SG 2.04Å; C462-C494 PolarHBondContact SG-SG 2.92Å; C462-E533 HydrophobicContact CB-CB 4.43Å; C462-V534 HydrophobicContact CB-CG2 3.57Å; C462-T537 PolarHBondContact O-OG1 2.79Å
463	F	98.8	Very high	96.8	Very high	5 Å²	5	19.8 Å²	19.8	2%	0.022	10%	0.101	C	C	.	.	H	α-helix	trans	-57.6	-29.1	172.9	93.1	-80.7	0	0	0	111.5	V394 D399 E403 L460 A461 G465 G466 M467 E533 T537	V394-F463 HydrophobicContact CG1-CE1 4.04Å; V394-F463 HydrophobicContact CG1-CZ 4.25Å; V394-F463 WeakPolarHBondContact O-CE1 3.39Å; D399-F463 HydrophobicContact CB-CD1 4.02Å; D399-F463 HydrophobicContact CB-CE1 3.4Å; D399-F463 HydrophobicContact CB-CZ 4Å; D399-F463 WeakPolarHBondContact O-CZ 3.47Å; E403-F463 HydrophobicContact CB-CD2 4.39Å; E403-F463 HydrophobicContact CB-CE2 3.67Å; E403-F463 HydrophobicContact CB-CZ 4.41Å; E403-F463 HydrophobicContact CG-CD2 4.16Å; E403-F463 HydrophobicContact CG-CE2 3.89Å; L460-F463 VanDerWaalsContact O-CD1 3.23Å; L460-F463 WeakPolarHBondContact O-CD1 3.23Å; L460-F463 PolarHBondContact O-N 3.42Å; A461-F463 VanDerWaalsContact C-N 3.25Å; A461-F463 PolarHBondContact O-N 3.06Å; F463-G465 PolarHBondContact O-N 3.04Å; F463-G465 VanDerWaalsContact O-N 3.11Å; F463-G466 PolarHBondContact O-N 2.84Å; F463-G466 VanDerWaalsContact O-N 3.1Å; F463-M467 HydrophobicContact CD2-CB 4.21Å; F463-M467 HydrophobicContact CE2-CB 3.96Å; F463-M467 HydrophobicContact CE2-CE 4.26Å; F463-M467 HydrophobicContact CE2-CG 4.24Å; F463-M467 HydrophobicContact CE2-SD 3.59Å; F463-M467 VanDerWaalsContact CE2-SD 3.59Å; F463-M467 HydrophobicContact CZ-CE 4.2Å; F463-M467 HydrophobicContact CZ-SD 3.93Å; F463-M467 PolarHBondContact O-N 3.03Å; F463-E533 HydrophobicContact CB-CB 3.97Å; F463-E533 HydrophobicContact CB-CG 4.16Å; F463-T537 PolarHBondContact O-OG1 3.02Å
464	A	98.8	Very high	95.9	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-61.3	-26.1	-175.1	0	0	0	0	0	112.5	V394 I445 A461 C462 M467 F468	V394-A464 HydrophobicContact CG1-CB 4.27Å; I445-A464 HydrophobicContact CD1-CB 3.6Å; A461-A464 VanDerWaalsContact O-CB 3.3Å; A461-A464 WeakPolarHBondContact O-CB 3.43Å; A461-A464 PolarHBondContact O-N 3.43Å; C462-A464 PolarHBondContact O-N 3.1Å; C462-A464 VanDerWaalsContact O-N 3.16Å; A464-M467 HydrophobicContact CB-CE 4.19Å; A464-M467 PolarHBondContact O-N 3.31Å; A464-F468 HydrophobicContact CB-CD2 4.46Å; A464-F468 HydrophobicContact CB-CE2 3.96Å; A464-F468 HydrophobicContact CB-CZ 4.29Å; A464-F468 WeakPolarHBondContact O-CB 3.41Å; A464-F468 WeakPolarHBondContact O-CD2 3.33Å; A464-F468 WeakPolarHBondContact O-CG 3.43Å; A464-F468 PolarHBondContact O-N 3.34Å
465	G	98.8	Very high	95.1	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-61.3	-49.2	175	0	0	0	0	0	112.1	C462 F463 F468 A469 G487	C462-G465 PolarHBondContact O-N 2.72Å; F463-G465 PolarHBondContact O-N 3.04Å; F463-G465 VanDerWaalsContact O-N 3.11Å; G465-F468 PolarHBondContact O-N 3.23Å; G465-A469 PolarHBondContact O-N 3.05Å; G465-A469 VanDerWaalsContact O-N 3.14Å; G465-G487 WeakPolarHBondContact O-CA 3.4Å
466	G	98.8	Very high	93.9	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-64.7	-41.5	173.2	0	0	0	0	0	112.2	F463 F468 A469 L470 T537	F463-G466 PolarHBondContact O-N 2.84Å; F463-G466 VanDerWaalsContact O-N 3.1Å; G466-F468 PolarHBondContact O-N 2.95Å; G466-A469 PolarHBondContact O-N 3.06Å; G466-L470 VanDerWaalsContact O-CB 3.23Å; G466-L470 WeakPolarHBondContact O-CB 3.09Å; G466-L470 PolarHBondContact O-N 2.82Å; G466-T537 PolarHBondContact N-OG1 3.05Å
467	M	98.7	Very high	92.3	Very high	6 Å²	6	22.5 Å²	22.5	3%	0.03	13%	0.13	C	C	.	.	H	α-helix	trans	-59.4	-43.5	175.7	-175.3	-171.7	61.9	0	0	112.6	E403 L406 Y423 I427 F463 A464 G471	E403-M467 HydrophobicContact CB-SD 4.45Å; L406-M467 HydrophobicContact CD2-CG 4.01Å; L406-M467 VanDerWaalsContact CD2-O 3.31Å; L406-M467 WeakPolarHBondContact CD2-O 3.39Å; Y423-M467 HydrophobicContact CE2-CE 4.33Å; Y423-M467 HydrophobicContact CE2-CG 3.97Å; Y423-M467 HydrophobicContact CE2-SD 3.86Å; Y423-M467 PolarHBondContact OH-O 2.87Å; I427-M467 HydrophobicContact CD1-CE 3.93Å; F463-M467 HydrophobicContact CD2-CB 4.21Å; F463-M467 HydrophobicContact CE2-CB 3.96Å; F463-M467 HydrophobicContact CE2-CE 4.26Å; F463-M467 HydrophobicContact CE2-CG 4.24Å; F463-M467 HydrophobicContact CE2-SD 3.59Å; F463-M467 VanDerWaalsContact CE2-SD 3.59Å; F463-M467 HydrophobicContact CZ-CE 4.2Å; F463-M467 HydrophobicContact CZ-SD 3.93Å; F463-M467 PolarHBondContact O-N 3.03Å; A464-M467 HydrophobicContact CB-CE 4.19Å; A464-M467 PolarHBondContact O-N 3.31Å; M467-G471 PolarHBondContact O-N 3.02Å
468	F	98.6	Very high	91	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-66.9	-42.3	177.3	-64.8	-42.7	0	0	0	111.8	I427 I435 I445 A464 G465 G466 G471 A472 L486 I490	I427-F468 HydrophobicContact CD1-CE1 3.87Å; I427-F468 HydrophobicContact CG1-CE1 4.25Å; I427-F468 HydrophobicContact CG2-CD1 4.26Å; I427-F468 HydrophobicContact CG2-CE1 3.79Å; I435-F468 HydrophobicContact CD1-CE2 4.32Å; I435-F468 HydrophobicContact CD1-CZ 4.19Å; I445-F468 HydrophobicContact CD1-CE2 4.11Å; I445-F468 HydrophobicContact CD1-CZ 4.36Å; A464-F468 HydrophobicContact CB-CD2 4.46Å; A464-F468 HydrophobicContact CB-CE2 3.96Å; A464-F468 HydrophobicContact CB-CZ 4.29Å; A464-F468 WeakPolarHBondContact O-CB 3.41Å; A464-F468 WeakPolarHBondContact O-CD2 3.33Å; A464-F468 WeakPolarHBondContact O-CG 3.43Å; A464-F468 PolarHBondContact O-N 3.34Å; G465-F468 PolarHBondContact O-N 3.23Å; G466-F468 PolarHBondContact O-N 2.95Å; F468-G471 PolarHBondContact O-N 3.07Å; F468-A472 PolarHBondContact O-N 3Å; F468-L486 HydrophobicContact CD1-CD2 4.32Å; F468-L486 HydrophobicContact CD2-CD2 3.83Å; F468-L486 HydrophobicContact CD2-CG 3.79Å; F468-L486 HydrophobicContact CE1-CD2 4.33Å; F468-L486 HydrophobicContact CE2-CD2 3.85Å; F468-L486 HydrophobicContact CE2-CG 4.04Å; F468-L486 HydrophobicContact CG-CD2 4.1Å; F468-L486 HydrophobicContact CG-CG 4.34Å; F468-L486 HydrophobicContact CZ-CD2 4.12Å; F468-I490 HydrophobicContact CD2-CG1 4.33Å; F468-I490 HydrophobicContact CE2-CG1 4.18Å
469	A	97.9	Very high	90.5	Very high	2 Å²	2	32.5 Å²	32.5	2%	0.017	18%	0.177	C	C	.	.	H	α-helix	trans	-62.3	-44.9	175.8	0	0	0	0	0	111.7	G465 G466 G471 A472 L484 L541 F544	G465-A469 PolarHBondContact O-N 3.05Å; G465-A469 VanDerWaalsContact O-N 3.14Å; G466-A469 PolarHBondContact O-N 3.06Å; A469-G471 VanDerWaalsContact C-N 3.34Å; A469-G471 PolarHBondContact O-N 3.39Å; A469-A472 VanDerWaalsContact O-CB 3.24Å; A469-A472 WeakPolarHBondContact O-CB 3.42Å; A469-A472 PolarHBondContact O-N 2.67Å; A469-L484 HydrophobicContact CB-CD1 3.95Å; A469-L541 HydrophobicContact CB-CD2 3.73Å; A469-L541 HydrophobicContact CB-CG 4.31Å; A469-F544 HydrophobicContact CB-CD2 3.91Å; A469-F544 HydrophobicContact CB-CE2 4.4Å
470	L	97.4	Very high	90.1	Very high	14 Å²	14	34.5 Å²	34.5	7%	0.073	19%	0.194	C	C	.	.	H	α-helix	trans	-63.7	-37.7	176.9	-178.1	62.8	0	0	0	112.4	L406 K407 L410 G466 A472 Y540 F544	L406-L470 HydrophobicContact CD2-CB 4.11Å; L406-L470 HydrophobicContact CD2-CD2 4.12Å; L406-L470 HydrophobicContact CD2-CG 4.01Å; K407-L470 HydrophobicContact CG-CD2 4.38Å; L410-L470 HydrophobicContact CD1-CD1 3.78Å; L410-L470 HydrophobicContact CD1-CD2 3.75Å; L410-L470 HydrophobicContact CD1-CG 3.62Å; G466-L470 VanDerWaalsContact O-CB 3.23Å; G466-L470 WeakPolarHBondContact O-CB 3.09Å; G466-L470 PolarHBondContact O-N 2.82Å; L470-A472 VanDerWaalsContact C-N 3.33Å; L470-Y540 HydrophobicContact CB-CD1 4.3Å; L470-Y540 HydrophobicContact CB-CE1 4.39Å; L470-Y540 HydrophobicContact CD1-CD1 4.3Å; L470-Y540 HydrophobicContact CD1-CE1 3.98Å; L470-Y540 HydrophobicContact CD2-CE1 3.86Å; L470-Y540 HydrophobicContact CG-CE1 4.28Å; L470-F544 HydrophobicContact CB-CE2 4.16Å; L470-F544 HydrophobicContact CB-CZ 4.45Å; L470-F544 HydrophobicContact CD1-CE2 4.16Å; L470-F544 HydrophobicContact CD1-CZ 3.74Å
471	G	95.5	Very high	89.9	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-82.4	-6.2	179.6	0	0	0	0	0	115.1	R420 M467 F468 A469 D473	R420-G471 PolarHBondContact NH1-O 3.42Å; R420-G471 PolarHBondContact NH2-O 3.34Å; M467-G471 PolarHBondContact O-N 3.02Å; F468-G471 PolarHBondContact O-N 3.07Å; A469-G471 VanDerWaalsContact C-N 3.34Å; A469-G471 PolarHBondContact O-N 3.39Å; G471-D473 VanDerWaalsContact C-N 3.34Å
472	A	94	Very high	89.7	Confident	9 Å²	9	38.9 Å²	38.9	7%	0.074	23%	0.226	C	C	.	.	H	α-helix	trans	-62.6	-43.1	178.7	0	0	0	0	0	111.1	F468 A469 L470 G474 S475 A480 L484	F468-A472 PolarHBondContact O-N 3Å; A469-A472 VanDerWaalsContact O-CB 3.24Å; A469-A472 WeakPolarHBondContact O-CB 3.42Å; A469-A472 PolarHBondContact O-N 2.67Å; L470-A472 VanDerWaalsContact C-N 3.33Å; A472-G474 PolarHBondContact O-N 3.49Å; A472-S475 WeakPolarHBondContact O-CB 3.49Å; A472-S475 PolarHBondContact O-N 3.27Å; A472-S475 PolarHBondContact O-OG 3.09Å; A472-A480 WeakPolarHBondContact CB-O 3.25Å; A472-A480 WeakPolarHBondContact O-CB 3.39Å; A472-L484 HydrophobicContact CB-CB 4.5Å
473	D	82.3	Confident	89.6	Confident	93 Å²	93	39 Å²	39	50%	0.497	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	130.2	172.1	-174.9	42.1	0	0	0	110.8	K414 R420 G471 S475	K414-D473 IonicContact NZ-OD2 2.86Å; K414-D473 PolarHBondContact NZ-OD2 3.23Å; R420-D473 PolarHBondContact NH1-O 2.88Å; G471-D473 VanDerWaalsContact C-N 3.34Å; D473-S475 VanDerWaalsContact C-N 3.32Å; D473-S475 PolarHBondContact O-N 2.88Å
474	G	76.4	Confident	89.5	Confident	38 Å²	38	41.4 Å²	41.4	39%	0.392	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	74	11.7	-172.8	0	0	0	0	0	116.2	R420 A472	R420-G474 VanDerWaalsContact CZ-O 3.24Å; R420-G474 VanDerWaalsContact NH1-C 3.31Å; R420-G474 PolarHBondContact NH1-O 2.94Å; A472-G474 PolarHBondContact O-N 3.49Å
475	S	79.3	Confident	89.5	Confident	20 Å²	20	47.7 Å²	47.7	14%	0.14	27%	0.269	C	S	.	.			trans	-61.3	141.3	167.2	58	0	0	0	0	111.8	A472 D473 A480	A472-S475 WeakPolarHBondContact O-CB 3.49Å; A472-S475 PolarHBondContact O-N 3.27Å; A472-S475 PolarHBondContact O-OG 3.09Å; D473-S475 VanDerWaalsContact C-N 3.32Å; D473-S475 PolarHBondContact O-N 2.88Å; S475-A480 WeakPolarHBondContact OG-CA 3.22Å; S475-A480 PolarHBondContact OG-N 3.33Å; S475-A480 VanDerWaalsContact OG-N 3.09Å
476	R	70.3	Confident	89.5	Confident	128 Å²	128	48.4 Å²	48.4	48%	0.483	27%	0.272	S	S	.	.	S	Bend	trans	-65.2	137.9	173.6	-62.6	-179.5	-179.4	160.5	5.3	108.7	D424	D424-R476 IonicContact OD2-NE 3.3Å
477	T	62.6	Low	89.4	Confident	105 Å²	105	48.4 Å²	48.4	64%	0.644	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	98.6	167	52.7	0	0	0	0	114.1	K479	T477-K479 WeakPolarHBondContact O-CB 3.49Å; T477-K479 VanDerWaalsContact O-CG 3.32Å; T477-K479 WeakPolarHBondContact O-CG 3.43Å; T477-K479 PolarHBondContact O-N 3.22Å
478	D	70.4	Confident	89.5	Confident	162 Å²	162	48.9 Å²	48.9	87%	0.866	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	39.6	9.8	166.9	73	-27.1	0	0	0	120.5	A480	D478-A480 PolarHBondContact O-N 2.77Å
479	K	87.4	Confident	89.5	Confident	62 Å²	62	51.1 Å²	51.1	27%	0.27	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-3.8	-176.6	-77.8	-179	-178.2	-169.4	0	113.4	E428 T477 G481 H482 Y483	E428-K479 IonicContact OE1-NZ 2.83Å; E428-K479 PolarHBondContact OE1-NZ 2.98Å; T477-K479 WeakPolarHBondContact O-CB 3.49Å; T477-K479 VanDerWaalsContact O-CG 3.32Å; T477-K479 WeakPolarHBondContact O-CG 3.43Å; T477-K479 PolarHBondContact O-N 3.22Å; K479-G481 VanDerWaalsContact C-N 3.28Å; K479-G481 PolarHBondContact O-N 3.33Å; K479-H482 WeakPolarHBondContact O-CB 3.42Å; K479-H482 PolarHBondContact O-N 2.95Å; K479-Y483 HydrophobicContact CB-CD2 4.11Å; K479-Y483 HydrophobicContact CB-CE2 3.9Å; K479-Y483 HydrophobicContact CD-CE2 4.23Å; K479-Y483 WeakPolarHBondContact O-CD2 3.43Å; K479-Y483 PolarHBondContact O-N 2.89Å
480	A	89.9	Confident	89.5	Confident	43 Å²	43	51 Å²	51	36%	0.355	29%	0.287	S	S	.	.	H	α-helix	trans	-56.6	-44.7	179.7	0	0	0	0	0	111.3	A472 S475 D478 H482 Y483 L484	A472-A480 WeakPolarHBondContact CB-O 3.25Å; A472-A480 WeakPolarHBondContact O-CB 3.39Å; S475-A480 WeakPolarHBondContact OG-CA 3.22Å; S475-A480 PolarHBondContact OG-N 3.33Å; S475-A480 VanDerWaalsContact OG-N 3.09Å; D478-A480 PolarHBondContact O-N 2.77Å; A480-H482 PolarHBondContact O-N 3.47Å; A480-Y483 PolarHBondContact O-N 3.32Å; A480-L484 WeakPolarHBondContact O-CB 3.26Å; A480-L484 PolarHBondContact O-N 2.78Å; A480-L484 VanDerWaalsContact O-N 3.1Å
481	G	93.6	Very high	89.6	Confident	50 Å²	50	50.3 Å²	50.3	52%	0.515	28%	0.283	S	S	.	.	H	α-helix	trans	-62.4	-41	175.1	0	0	0	0	0	112.9	K479 L484 E485	K479-G481 VanDerWaalsContact C-N 3.28Å; K479-G481 PolarHBondContact O-N 3.33Å; G481-L484 PolarHBondContact O-N 3.27Å; G481-E485 WeakPolarHBondContact O-CB 3.12Å; G481-E485 PolarHBondContact O-N 3.01Å
482	H	95.6	Very high	89.7	Confident	80 Å²	80	53.3 Å²	53.3	37%	0.37	30%	0.295	S	S	.	.	H	α-helix	trans	-60.9	-47	177.3	171.2	77.7	0	0	0	112.2	E431 K479 A480 E485 L486	E431-H482 IonicContact OE1-CD2 3.3Å; E431-H482 IonicContact OE1-NE2 3.9Å; E431-H482 PolarHBondContact OE1-NE2 2.86Å; E431-H482 IonicContact OE2-CD2 2.61Å; E431-H482 IonicContact OE2-CE1 2.7Å; E431-H482 PolarHBondContact OE2-CE1 3.38Å; E431-H482 IonicContact OE2-NE2 3.59Å; E431-H482 PolarHBondContact OE2-NE2 3.2Å; K479-H482 WeakPolarHBondContact O-CB 3.42Å; K479-H482 PolarHBondContact O-N 2.95Å; A480-H482 PolarHBondContact O-N 3.47Å; H482-E485 PolarHBondContact O-N 3.16Å; H482-L486 WeakPolarHBondContact O-CB 3.32Å; H482-L486 PolarHBondContact O-N 2.96Å
483	Y	96.9	Very high	90	Very high	3 Å²	3	52.9 Å²	52.9	1%	0.012	29%	0.291	C	S	.	.	H	α-helix	trans	-70.9	-32.8	-179.9	-70.3	-52.4	0	0	0	113.2	I427 E431 K479 A480 L486 G487	I427-Y483 HydrophobicContact CG2-CD1 4.38Å; I427-Y483 HydrophobicContact CG2-CE1 3.51Å; E431-Y483 VanDerWaalsContact OE1-CE1 3.23Å; E431-Y483 WeakPolarHBondContact OE1-CE1 3.27Å; K479-Y483 HydrophobicContact CB-CD2 4.11Å; K479-Y483 HydrophobicContact CB-CE2 3.9Å; K479-Y483 HydrophobicContact CD-CE2 4.23Å; K479-Y483 WeakPolarHBondContact O-CD2 3.43Å; K479-Y483 PolarHBondContact O-N 2.89Å; A480-Y483 PolarHBondContact O-N 3.32Å; Y483-L486 HydrophobicContact CD1-CD2 4.35Å; Y483-L486 PolarHBondContact O-N 3.4Å; Y483-G487 PolarHBondContact O-N 3.47Å
484	L	96.8	Very high	90.8	Very high	55 Å²	55	48.5 Å²	48.5	29%	0.288	27%	0.268	S	S	.	.	H	α-helix	trans	-66.8	-41.4	173	-169.5	63	0	0	0	111.4	A469 A472 A480 G481 G487 A488 L541 F544 T545	A469-L484 HydrophobicContact CB-CD1 3.95Å; A472-L484 HydrophobicContact CB-CB 4.5Å; A480-L484 WeakPolarHBondContact O-CB 3.26Å; A480-L484 PolarHBondContact O-N 2.78Å; A480-L484 VanDerWaalsContact O-N 3.1Å; G481-L484 PolarHBondContact O-N 3.27Å; L484-G487 PolarHBondContact O-N 2.8Å; L484-A488 PolarHBondContact O-N 3.26Å; L484-L541 HydrophobicContact CD1-CD2 4.23Å; L484-F544 HydrophobicContact CD1-CB 4.1Å; L484-T545 HydrophobicContact CD1-CG2 3.98Å; L484-T545 HydrophobicContact CD2-CG2 4.2Å; L484-T545 HydrophobicContact CG-CG2 4.28Å
485	E	97.8	Very high	91.8	Very high	132 Å²	132	47.8 Å²	47.8	62%	0.617	25%	0.254	S	S	*	.	H	α-helix	trans	-64.6	-44.1	173.5	-175.7	176	-174.2	0	0	111.7	G481 H482 G487 A488 E489	G481-E485 WeakPolarHBondContact O-CB 3.12Å; G481-E485 PolarHBondContact O-N 3.01Å; H482-E485 PolarHBondContact O-N 3.16Å; E485-G487 VanDerWaalsContact C-N 3.3Å; E485-G487 PolarHBondContact O-N 3.41Å; E485-A488 WeakPolarHBondContact O-CB 3.37Å; E485-A488 PolarHBondContact O-N 3.43Å; E485-A488 VanDerWaalsContact O-N 3.16Å; E485-E489 PolarHBondContact O-N 3.44Å
486	L	98.4	Very high	92.7	Very high	14 Å²	14	49.3 Å²	49.3	7%	0.073	26%	0.259	C	S	.	.	H	α-helix	trans	-59.6	-43	175.2	-178.2	61	0	0	0	111.1	E431 I435 V443 F468 H482 Y483 A488 E489 I490	E431-L486 HydrophobicContact CG-CD2 4.16Å; I435-L486 HydrophobicContact CD1-CD1 4Å; I435-L486 HydrophobicContact CD1-CD2 3.87Å; I435-L486 HydrophobicContact CD1-CG 4.44Å; I435-L486 HydrophobicContact CG2-CD1 4.37Å; V443-L486 HydrophobicContact CG1-CD1 4.12Å; F468-L486 HydrophobicContact CD1-CD2 4.32Å; F468-L486 HydrophobicContact CD2-CD2 3.83Å; F468-L486 HydrophobicContact CD2-CG 3.79Å; F468-L486 HydrophobicContact CE1-CD2 4.33Å; F468-L486 HydrophobicContact CE2-CD2 3.85Å; F468-L486 HydrophobicContact CE2-CG 4.04Å; F468-L486 HydrophobicContact CG-CD2 4.1Å; F468-L486 HydrophobicContact CG-CG 4.34Å; F468-L486 HydrophobicContact CZ-CD2 4.12Å; H482-L486 WeakPolarHBondContact O-CB 3.32Å; H482-L486 PolarHBondContact O-N 2.96Å; Y483-L486 HydrophobicContact CD1-CD2 4.35Å; Y483-L486 PolarHBondContact O-N 3.4Å; L486-A488 PolarHBondContact O-N 2.91Å; L486-E489 PolarHBondContact O-N 2.89Å; L486-I490 HydrophobicContact CD1-CG1 4.48Å; L486-I490 WeakPolarHBondContact O-CG1 3.46Å; L486-I490 PolarHBondContact O-N 2.82Å
487	G	98.6	Very high	94.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-57.8	-46.7	173.7	0	0	0	0	0	112.2	G465 Y483 L484 E485 E489 I490 A491	G465-G487 WeakPolarHBondContact O-CA 3.4Å; Y483-G487 PolarHBondContact O-N 3.47Å; L484-G487 PolarHBondContact O-N 2.8Å; E485-G487 VanDerWaalsContact C-N 3.3Å; E485-G487 PolarHBondContact O-N 3.41Å; G487-E489 PolarHBondContact O-N 3.37Å; G487-I490 PolarHBondContact O-N 2.98Å; G487-A491 WeakPolarHBondContact O-CB 3.37Å; G487-A491 PolarHBondContact O-N 3.36Å
488	A	98.8	Very high	95.8	Very high	17 Å²	17	38.6 Å²	38.6	14%	0.14	21%	0.207	C	C	.	.	H	α-helix	trans	-63.6	-38.8	176.9	0	0	0	0	0	113.1	L484 E485 L486 A491 R492 Y550	L484-A488 PolarHBondContact O-N 3.26Å; E485-A488 WeakPolarHBondContact O-CB 3.37Å; E485-A488 PolarHBondContact O-N 3.43Å; E485-A488 VanDerWaalsContact O-N 3.16Å; L486-A488 PolarHBondContact O-N 2.91Å; A488-A491 PolarHBondContact O-N 2.86Å; A488-R492 WeakPolarHBondContact O-CB 3.39Å; A488-R492 PolarHBondContact O-N 3.21Å; A488-Y550 WeakPolarHBondContact CB-OH 3.42Å
489	E	98.8	Very high	97.2	Very high	46 Å²	46	34.1 Å²	34.1	22%	0.215	18%	0.183	C	C	.	.	H	α-helix	trans	-68.8	-39.3	177.4	-79.7	-65.9	110	0	0	112.6	V443 E485 L486 G487 R492 T493	V443-E489 HydrophobicContact CB-CB 4.02Å; V443-E489 HydrophobicContact CG2-CB 3.99Å; V443-E489 HydrophobicContact CG2-CG 4.22Å; V443-E489 WeakPolarHBondContact CG2-OE2 3.34Å; E485-E489 PolarHBondContact O-N 3.44Å; L486-E489 PolarHBondContact O-N 2.89Å; G487-E489 PolarHBondContact O-N 3.37Å; E489-R492 PolarHBondContact O-N 3.46Å; E489-R492 IonicContact OE1-CZ 3.15Å; E489-R492 IonicContact OE1-NE 2.73Å; E489-R492 PolarHBondContact OE1-NE 2.84Å; E489-R492 IonicContact OE1-NH2 2.88Å; E489-R492 IonicContact OE2-CZ 2.79Å; E489-R492 IonicContact OE2-NE 3.8Å; E489-R492 PolarHBondContact OE2-NE 3.3Å; E489-R492 IonicContact OE2-NH2 3.77Å; E489-R492 PolarHBondContact OE2-NH2 2.84Å; E489-T493 PolarHBondContact O-N 3.34Å; E489-T493 PolarHBondContact O-OG1 3.35Å
490	I	98.9	Very high	97.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-64.1	-44.6	171.8	-67.6	-58.4	0	0	0	110.6	V443 I445 M457 F468 L486 G487 R492 T493 C494	V443-I490 HydrophobicContact CG1-CD1 4.15Å; I445-I490 HydrophobicContact CD1-CD1 4.13Å; I445-I490 HydrophobicContact CG1-CD1 3.72Å; M457-I490 HydrophobicContact CE-CG2 4.13Å; F468-I490 HydrophobicContact CD2-CG1 4.33Å; F468-I490 HydrophobicContact CE2-CG1 4.18Å; L486-I490 HydrophobicContact CD1-CG1 4.48Å; L486-I490 WeakPolarHBondContact O-CG1 3.46Å; L486-I490 PolarHBondContact O-N 2.82Å; G487-I490 PolarHBondContact O-N 2.98Å; I490-R492 VanDerWaalsContact C-N 3.3Å; I490-R492 PolarHBondContact O-N 3.29Å; I490-T493 PolarHBondContact O-N 2.91Å; I490-T493 VanDerWaalsContact O-N 3.17Å; I490-C494 WeakPolarHBondContact O-CB 3.14Å; I490-C494 PolarHBondContact O-N 2.57Å; I490-C494 PolarHBondContact O-SG 3.42Å; I490-C494 VanDerWaalsContact O-SG 3.33Å
491	A	98.9	Very high	98.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-59.9	-40.3	176.7	0	0	0	0	0	112.5	G487 A488 C494 H495 T537 Y538 L541 Y550	G487-A491 WeakPolarHBondContact O-CB 3.37Å; G487-A491 PolarHBondContact O-N 3.36Å; A488-A491 PolarHBondContact O-N 2.86Å; A491-C494 PolarHBondContact O-N 3.47Å; A491-H495 WeakPolarHBondContact O-CB 3.35Å; A491-H495 PolarHBondContact O-N 3.04Å; A491-T537 HydrophobicContact CB-CG2 3.56Å; A491-Y538 HydrophobicContact CB-CD1 4.47Å; A491-Y538 HydrophobicContact CB-CE1 4.36Å; A491-L541 HydrophobicContact CB-CD1 3.26Å; A491-Y550 HydrophobicContact CB-CE1 4.14Å
492	R	98.8	Very high	98.3	Very high	63 Å²	63	33.5 Å²	33.5	24%	0.238	17%	0.165	C	C	.	.	H	α-helix	trans	-60.8	-46.4	174.1	-175	177.5	68	81.9	3	111.4	G441 A488 E489 I490 C494 H495 E496 W553	G441-R492 PolarHBondContact O-NH2 3.05Å; A488-R492 WeakPolarHBondContact O-CB 3.39Å; A488-R492 PolarHBondContact O-N 3.21Å; E489-R492 PolarHBondContact O-N 3.46Å; E489-R492 IonicContact OE1-CZ 3.15Å; E489-R492 IonicContact OE1-NE 2.73Å; E489-R492 PolarHBondContact OE1-NE 2.84Å; E489-R492 IonicContact OE1-NH2 2.88Å; E489-R492 IonicContact OE2-CZ 2.79Å; E489-R492 IonicContact OE2-NE 3.8Å; E489-R492 PolarHBondContact OE2-NE 3.3Å; E489-R492 IonicContact OE2-NH2 3.77Å; E489-R492 PolarHBondContact OE2-NH2 2.84Å; I490-R492 VanDerWaalsContact C-N 3.3Å; I490-R492 PolarHBondContact O-N 3.29Å; R492-C494 VanDerWaalsContact C-N 3.33Å; R492-C494 PolarHBondContact O-N 2.68Å; R492-H495 PolarHBondContact O-N 3.45Å; R492-E496 WeakPolarHBondContact O-CB 3.47Å; R492-E496 VanDerWaalsContact O-CG 3.24Å; R492-E496 WeakPolarHBondContact O-CG 3.47Å; R492-E496 PolarHBondContact O-N 3.21Å; R492-W553 HydrophobicContact CB-CH2 4.49Å
493	T	98.8	Very high	98.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.5	-40.1	176.4	-66.3	0	0	0	0	112.7	L442 V443 F444 E489 I490 E496 S497 F510 F512	L442-T493 HydrophobicContact CB-CG2 4.35Å; L442-T493 WeakPolarHBondContact CB-OG1 3.24Å; V443-T493 PolarHBondContact N-OG1 3.2Å; V443-T493 VanDerWaalsContact O-CB 3.24Å; V443-T493 WeakPolarHBondContact O-CB 3.36Å; V443-T493 WeakPolarHBondContact O-CG2 3.38Å; V443-T493 PolarHBondContact O-OG1 2.93Å; F444-T493 HydrophobicContact CB-CG2 4.43Å; E489-T493 PolarHBondContact O-N 3.34Å; E489-T493 PolarHBondContact O-OG1 3.35Å; I490-T493 PolarHBondContact O-N 2.91Å; I490-T493 VanDerWaalsContact O-N 3.17Å; T493-E496 PolarHBondContact O-N 3.3Å; T493-S497 PolarHBondContact O-N 2.67Å; T493-S497 VanDerWaalsContact O-N 3.07Å; T493-F510 HydrophobicContact CG2-CE2 4.38Å; T493-F512 HydrophobicContact CG2-CE1 3.74Å; T493-F512 HydrophobicContact CG2-CZ 3.46Å; T493-F512 VanDerWaalsContact CG2-CZ 3.46Å
494	C	98.9	Very high	98.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-68	-40.5	176.7	-69.4	0	0	0	0	112.2	C462 I490 A491 R492 S497 Y498 V534	C462-C494 WeakPolarHBondContact CA-SG 3.35Å; C462-C494 HydrophobicContact CB-CB 3.87Å; C462-C494 WeakPolarHBondContact CB-SG 3.43Å; C462-C494 WeakPolarHBondContact SG-CB 3.32Å; C462-C494 CovalentContact SG-SG 2.04Å; C462-C494 PolarHBondContact SG-SG 2.92Å; I490-C494 WeakPolarHBondContact O-CB 3.14Å; I490-C494 PolarHBondContact O-N 2.57Å; I490-C494 PolarHBondContact O-SG 3.42Å; I490-C494 VanDerWaalsContact O-SG 3.33Å; A491-C494 PolarHBondContact O-N 3.47Å; R492-C494 VanDerWaalsContact C-N 3.33Å; R492-C494 PolarHBondContact O-N 2.68Å; C494-S497 WeakPolarHBondContact O-CB 3.3Å; C494-S497 PolarHBondContact O-N 2.71Å; C494-S497 PolarHBondContact O-OG 3.19Å; C494-Y498 WeakPolarHBondContact O-CD2 3.4Å; C494-Y498 PolarHBondContact O-N 3.4Å; C494-V534 HydrophobicContact CB-CG1 4.29Å; C494-V534 HydrophobicContact CB-CG2 3.92Å
495	H	98.9	Very high	98.6	Very high	23 Å²	23	31.2 Å²	31.2	11%	0.106	15%	0.151	C	C	.	.	H	α-helix	trans	-60	-44.7	171.3	-179.3	-101.5	0	0	0	111.8	A491 R492 S497 Y498 D499 Y538 W553 E556	A491-H495 WeakPolarHBondContact O-CB 3.35Å; A491-H495 PolarHBondContact O-N 3.04Å; R492-H495 PolarHBondContact O-N 3.45Å; H495-S497 PolarHBondContact O-N 3.37Å; H495-Y498 CarbonylContact O-C 3.52Å; H495-Y498 WeakPolarHBondContact O-CA 3.41Å; H495-Y498 VanDerWaalsContact O-CB 3.32Å; H495-Y498 WeakPolarHBondContact O-CB 3.3Å; H495-Y498 PolarHBondContact O-N 3.16Å; H495-D499 PolarHBondContact O-N 2.87Å; H495-Y538 WeakPolarHBondContact CA-OH 3.22Å; H495-Y538 WeakPolarHBondContact CB-OH 3.32Å; H495-W553 HydrophobicContact CB-CD2 4.15Å; H495-W553 HydrophobicContact CB-CE3 3.99Å; H495-W553 HydrophobicContact CB-CH2 4.45Å; H495-W553 HydrophobicContact CB-CZ3 4.14Å; H495-W553 AromaticContact CD2-CD1 3.53Å; H495-W553 AromaticContact CD2-CD2 3.61Å; H495-W553 AromaticContact CD2-CE2 3.97Å; H495-W553 AromaticContact CD2-CG 3.32Å; H495-W553 AromaticContact CD2-NE1 3.91Å; H495-W553 AromaticContact CE1-CD1 3.72Å; H495-W553 AromaticContact CE1-CE2 3.99Å; H495-W553 AromaticContact CE1-NE1 3.56Å; H495-W553 AromaticContact CG-CD2 3.71Å; H495-W553 AromaticContact CG-CE2 3.82Å; H495-W553 AromaticContact CG-CG 3.94Å; H495-W553 AromaticContact ND1-CE2 3.86Å; H495-W553 AromaticContact ND1-NE1 3.9Å; H495-W553 AromaticContact NE2-CD1 3.21Å; H495-W553 AromaticContact NE2-CG 3.54Å; H495-W553 AromaticContact NE2-NE1 3.56Å; H495-E556 IonicContact CE1-OE2 3.91Å; H495-E556 IonicContact NE2-OE2 2.66Å; H495-E556 PolarHBondContact NE2-OE2 2.92Å
496	E	98.7	Very high	98.6	Very high	53 Å²	53	24.9 Å²	24.9	25%	0.248	12%	0.122	C	C	.	.	H	α-helix	trans	-60.3	-34.1	176.3	-74.4	-83.6	170	0	0	112.2	L442 R492 T493 Y498 D499 R500 A518	L442-E496 HydrophobicContact CD1-CB 4.29Å; L442-E496 HydrophobicContact CD2-CB 4.21Å; L442-E496 HydrophobicContact CD2-CG 3.78Å; R492-E496 WeakPolarHBondContact O-CB 3.47Å; R492-E496 VanDerWaalsContact O-CG 3.24Å; R492-E496 WeakPolarHBondContact O-CG 3.47Å; R492-E496 PolarHBondContact O-N 3.21Å; T493-E496 PolarHBondContact O-N 3.3Å; E496-Y498 VanDerWaalsContact C-N 3.25Å; E496-Y498 PolarHBondContact O-N 2.99Å; E496-D499 PolarHBondContact O-N 3.17Å; E496-R500 VanDerWaalsContact O-CB 3.31Å; E496-R500 WeakPolarHBondContact O-CB 3.42Å; E496-R500 WeakPolarHBondContact O-CD 3.49Å; E496-R500 WeakPolarHBondContact O-CG 3.28Å; E496-R500 PolarHBondContact O-N 2.96Å; E496-R500 IonicContact OE2-CZ 2.8Å; E496-R500 IonicContact OE2-NE 2.65Å; E496-R500 PolarHBondContact OE2-NE 3.49Å; E496-R500 IonicContact OE2-NH2 3.13Å; E496-R500 PolarHBondContact OE2-NH2 3.16Å; E496-A518 HydrophobicContact CB-CB 4.39Å
497	S	98.8	Very high	98.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-66.2	-27.2	173.9	84.6	0	0	0	0	113.5	T493 C494 H495 T501 A518	T493-S497 PolarHBondContact O-N 2.67Å; T493-S497 VanDerWaalsContact O-N 3.07Å; C494-S497 WeakPolarHBondContact O-CB 3.3Å; C494-S497 PolarHBondContact O-N 2.71Å; C494-S497 PolarHBondContact O-OG 3.19Å; H495-S497 PolarHBondContact O-N 3.37Å; S497-T501 VanDerWaalsContact O-CG2 3.24Å; S497-T501 WeakPolarHBondContact O-CG2 3.18Å; S497-A518 WeakPolarHBondContact CA-O 3.43Å
498	Y	98.8	Very high	98.6	Very high	8 Å²	8	25.7 Å²	25.7	3%	0.031	13%	0.125	C	C	.	.	H	α-helix	trans	-78.7	-51.7	171.9	-83.7	-132.1	0	0	0	110.1	H459 C494 H495 E496 R500 T501 K504 L505 G506 Y528 V534 A557	H459-Y498 AromaticContact CD2-CE2 3.82Å; H459-Y498 PolarHBondContact CE1-OH 3.49Å; H459-Y498 AromaticContact NE2-CE2 3.35Å; H459-Y498 WeakPolarHBondContact NE2-CE2 3.21Å; H459-Y498 AromaticContact NE2-CZ 3.42Å; H459-Y498 PolarHBondContact NE2-OH 2.95Å; C494-Y498 WeakPolarHBondContact O-CD2 3.4Å; C494-Y498 PolarHBondContact O-N 3.4Å; H495-Y498 CarbonylContact O-C 3.52Å; H495-Y498 WeakPolarHBondContact O-CA 3.41Å; H495-Y498 VanDerWaalsContact O-CB 3.32Å; H495-Y498 WeakPolarHBondContact O-CB 3.3Å; H495-Y498 PolarHBondContact O-N 3.16Å; E496-Y498 VanDerWaalsContact C-N 3.25Å; E496-Y498 PolarHBondContact O-N 2.99Å; Y498-R500 VanDerWaalsContact C-N 3.27Å; Y498-R500 PolarHBondContact O-N 3.28Å; Y498-T501 WeakPolarHBondContact O-CB 3.2Å; Y498-T501 PolarHBondContact O-N 3.34Å; Y498-T501 VanDerWaalsContact O-N 3.09Å; Y498-T501 PolarHBondContact O-OG1 3.45Å; Y498-K504 WeakPolarHBondContact CD1-O 3.44Å; Y498-K504 WeakPolarHBondContact O-CA 3.29Å; Y498-L505 HydrophobicContact CE1-CD2 4.32Å; Y498-G506 VanDerWaalsContact CE2-CA 3.41Å; Y498-G506 VanDerWaalsContact CG-N 3.33Å; Y498-Y528 WeakPolarHBondContact OH-CE2 3.45Å; Y498-V534 HydrophobicContact CD2-CG1 4.36Å; Y498-V534 HydrophobicContact CD2-CG2 4.31Å; Y498-V534 HydrophobicContact CE2-CB 3.92Å; Y498-V534 HydrophobicContact CE2-CG1 4.01Å; Y498-V534 HydrophobicContact CE2-CG2 3.52Å; Y498-A557 HydrophobicContact CD1-CB 4.47Å; Y498-A557 HydrophobicContact CE1-CB 4.25Å
499	D	98.5	Very high	98.6	Very high	68 Å²	68	25.2 Å²	25.2	36%	0.364	12%	0.121	S	C	.	.	H	α-helix	trans	-62.6	-32.9	-172.3	-170	54.8	0	0	0	112.9	H495 E496 T501 K504	H495-D499 PolarHBondContact O-N 2.87Å; E496-D499 PolarHBondContact O-N 3.17Å; D499-T501 PolarHBondContact O-N 3.41Å; D499-K504 PolarHBondContact O-NZ 3.09Å; D499-K504 IonicContact OD1-NZ 2.71Å; D499-K504 PolarHBondContact OD1-NZ 3.24Å; D499-K504 IonicContact OD2-NZ 2.94Å
500	R	97.9	Very high	98.5	Very high	90 Å²	90	23 Å²	23	34%	0.34	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	2.4	178.7	-66.9	169.9	-169.8	-147	-3.8	114.6	E496 Y498 E517 V519	E496-R500 VanDerWaalsContact O-CB 3.31Å; E496-R500 WeakPolarHBondContact O-CB 3.42Å; E496-R500 WeakPolarHBondContact O-CD 3.49Å; E496-R500 WeakPolarHBondContact O-CG 3.28Å; E496-R500 PolarHBondContact O-N 2.96Å; E496-R500 IonicContact OE2-CZ 2.8Å; E496-R500 IonicContact OE2-NE 2.65Å; E496-R500 PolarHBondContact OE2-NE 3.49Å; E496-R500 IonicContact OE2-NH2 3.13Å; E496-R500 PolarHBondContact OE2-NH2 3.16Å; Y498-R500 VanDerWaalsContact C-N 3.27Å; Y498-R500 PolarHBondContact O-N 3.28Å; R500-E517 VanDerWaalsContact NH1-C 3.33Å; R500-E517 PolarHBondContact NH1-O 2.79Å; R500-V519 HydrophobicContact CB-CG1 3.79Å
501	T	98.5	Very high	98.4	Very high	6 Å²	6	24.8 Å²	24.8	4%	0.037	12%	0.118	C	C	.	.	S	Bend	trans	-101.2	159	179.1	70.5	0	0	0	0	111.5	S497 Y498 D499 L503 K504 L505 V577 Y578	S497-T501 VanDerWaalsContact O-CG2 3.24Å; S497-T501 WeakPolarHBondContact O-CG2 3.18Å; Y498-T501 WeakPolarHBondContact O-CB 3.2Å; Y498-T501 PolarHBondContact O-N 3.34Å; Y498-T501 VanDerWaalsContact O-N 3.09Å; Y498-T501 PolarHBondContact O-OG1 3.45Å; D499-T501 PolarHBondContact O-N 3.41Å; T501-L503 VanDerWaalsContact C-N 3.3Å; T501-K504 WeakPolarHBondContact OG1-CA 3.47Å; T501-K504 PolarHBondContact OG1-N 2.98Å; T501-L505 WeakPolarHBondContact CG2-O 3.43Å; T501-L505 PolarHBondContact OG1-N 3.49Å; T501-L505 PolarHBondContact OG1-O 2.78Å; T501-L505 VanDerWaalsContact OG1-O 3.09Å; T501-V577 WeakPolarHBondContact CB-O 3.36Å; T501-V577 HydrophobicContact CG2-CB 4.25Å; T501-V577 HydrophobicContact CG2-CG2 3.6Å; T501-Y578 HydrophobicContact CG2-CD1 4.4Å; T501-Y578 HydrophobicContact CG2-CE1 3.79Å
502	A	98.3	Very high	98.3	Very high	46 Å²	46	25 Å²	25	38%	0.38	12%	0.119	S	C	.	.	S	Bend	trans	-69.1	-33.6	176.9	0	0	0	0	0	111.6	V577 Y578	A502-V577 PolarHBondContact N-O 3.25Å; A502-V577 VanDerWaalsContact N-O 3.12Å; A502-Y578 WeakPolarHBondContact CB-O 3.33Å
503	L	98.4	Very high	97.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	-89.9	-6.1	-177.5	-58.4	-170.1	0	0	0	113.9	T501 L505 A560 Y564 V574 V577 S579 P582	T501-L503 VanDerWaalsContact C-N 3.3Å; L503-L505 HydrophobicContact CB-CB 4.48Å; L503-L505 HydrophobicContact CB-CD1 4.39Å; L503-L505 HydrophobicContact CB-CG 4.49Å; L503-L505 PolarHBondContact O-N 3.19Å; L503-A560 WeakPolarHBondContact O-CB 3.45Å; L503-Y564 HydrophobicContact CB-CD2 3.88Å; L503-Y564 HydrophobicContact CB-CE2 4.16Å; L503-Y564 HydrophobicContact CB-CG 4.3Å; L503-Y564 HydrophobicContact CD2-CD1 3.68Å; L503-Y564 HydrophobicContact CD2-CD2 4.01Å; L503-Y564 HydrophobicContact CD2-CE1 3.73Å; L503-Y564 HydrophobicContact CD2-CE2 4.06Å; L503-Y564 HydrophobicContact CD2-CG 3.81Å; L503-Y564 HydrophobicContact CG-CD2 4.46Å; L503-Y564 HydrophobicContact CG-CG 4.44Å; L503-Y564 WeakPolarHBondContact O-CD2 3.48Å; L503-Y564 WeakPolarHBondContact O-CE2 3.42Å; L503-V574 HydrophobicContact CD1-CB 4.38Å; L503-V574 HydrophobicContact CD1-CG1 4.47Å; L503-V574 HydrophobicContact CD1-CG2 4.04Å; L503-V577 WeakPolarHBondContact CG-O 3.12Å; L503-V577 PolarHBondContact N-O 3.05Å; L503-V577 VanDerWaalsContact N-O 3.11Å; L503-S579 WeakPolarHBondContact CD2-O 3.49Å; L503-P582 HydrophobicContact CD1-CB 4.12Å
504	K	98.5	Very high	96.2	Very high	89 Å²	89	27.2 Å²	27.2	39%	0.387	15%	0.147	S	C	.	.	S	Bend	trans	58.3	34.8	-171.9	-54.7	-63.4	-176.9	174.3	0	112.8	Y498 D499 T501 A560	Y498-K504 WeakPolarHBondContact CD1-O 3.44Å; Y498-K504 WeakPolarHBondContact O-CA 3.29Å; D499-K504 PolarHBondContact O-NZ 3.09Å; D499-K504 IonicContact OD1-NZ 2.71Å; D499-K504 PolarHBondContact OD1-NZ 3.24Å; D499-K504 IonicContact OD2-NZ 2.94Å; T501-K504 WeakPolarHBondContact OG1-CA 3.47Å; T501-K504 PolarHBondContact OG1-N 2.98Å; K504-A560 HydrophobicContact CB-CB 4.08Å
505	L	98.8	Very high	95.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.184	C	C	.	.			trans	-130.8	130.5	177	-65.4	171.4	0	0	0	108.3	Y498 T501 L503 Y528 A560 I561 V577	Y498-L505 HydrophobicContact CE1-CD2 4.32Å; T501-L505 WeakPolarHBondContact CG2-O 3.43Å; T501-L505 PolarHBondContact OG1-N 3.49Å; T501-L505 PolarHBondContact OG1-O 2.78Å; T501-L505 VanDerWaalsContact OG1-O 3.09Å; L503-L505 HydrophobicContact CB-CB 4.48Å; L503-L505 HydrophobicContact CB-CD1 4.39Å; L503-L505 HydrophobicContact CB-CG 4.49Å; L503-L505 PolarHBondContact O-N 3.19Å; L505-Y528 HydrophobicContact CB-CD1 4.15Å; L505-Y528 HydrophobicContact CB-CG 4.12Å; L505-Y528 HydrophobicContact CD1-CD1 3.82Å; L505-Y528 HydrophobicContact CD1-CE1 4.07Å; L505-Y528 HydrophobicContact CD2-CD1 4.29Å; L505-Y528 HydrophobicContact CD2-CE1 3.89Å; L505-Y528 HydrophobicContact CG-CD1 4.31Å; L505-Y528 HydrophobicContact CG-CE1 4.39Å; L505-A560 HydrophobicContact CD2-CB 3.8Å; L505-A560 HydrophobicContact CG-CB 3.98Å; L505-I561 HydrophobicContact CD2-CG1 3.8Å; L505-V577 HydrophobicContact CB-CG1 4.14Å; L505-V577 VanDerWaalsContact O-CB 3.28Å; L505-V577 WeakPolarHBondContact O-CB 3.42Å; L505-V577 WeakPolarHBondContact O-CG1 2.96Å; L505-V577 WeakPolarHBondContact O-CG2 3.2Å
506	G	98.4	Very high	94.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.191	C	C	.	.			trans	-70.8	144.3	-175.4	0	0	0	0	0	113.2	Y498 Y528	Y498-G506 VanDerWaalsContact CE2-CA 3.41Å; Y498-G506 VanDerWaalsContact CG-N 3.33Å; G506-Y528 WeakPolarHBondContact O-CD2 3.3Å
507	P	98.6	Very high	94.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.186	C	C	.	.			trans	-74.3	160.3	173.9	34.1	-36.8	0	0	0	111.6	S509 F510 A520 E525 Y527 V577 Y578	P507-S509 PolarHBondContact O-N 2.9Å; P507-S509 VanDerWaalsContact O-N 3.12Å; P507-F510 HydrophobicContact CG-CB 4.28Å; P507-F510 HydrophobicContact CG-CD1 4.2Å; P507-A520 HydrophobicContact CB-CB 3.68Å; P507-A520 HydrophobicContact CG-CB 3.84Å; P507-E525 WeakPolarHBondContact CB-O 3.39Å; P507-Y527 CarbonylContact C-O 3.47Å; P507-Y527 WeakPolarHBondContact CA-O 3.37Å; P507-V577 HydrophobicContact CB-CG2 3.95Å; P507-Y578 HydrophobicContact CB-CE2 4.38Å
508	E	98.4	Very high	94.4	Very high	30 Å²	30	31.5 Å²	31.5	14%	0.14	19%	0.186	C	C	.	.	S	Bend	trans	-53.6	-34.2	176.7	-176	71.1	-178.1	0	0	113.2	G458 H459 E525 Y527 R531	G458-E508 CarbonylContact C-O 3.58Å; G458-E508 WeakPolarHBondContact CA-O 3.15Å; H459-E508 PolarHBondContact N-O 2.83Å; E508-E525 PolarHBondContact N-O 3.17Å; E508-Y527 HydrophobicContact CB-CD1 4.29Å; E508-Y527 HydrophobicContact CB-CD2 3.98Å; E508-Y527 HydrophobicContact CB-CE1 3.9Å; E508-Y527 HydrophobicContact CB-CE2 3.6Å; E508-Y527 HydrophobicContact CB-CG 4.34Å; E508-Y527 HydrophobicContact CG-CE1 4.06Å; E508-Y527 HydrophobicContact CG-CE2 3.68Å; E508-Y527 VanDerWaalsContact CG-CZ 3.4Å; E508-Y527 VanDerWaalsContact CG-OH 3.28Å; E508-Y527 WeakPolarHBondContact CG-OH 3.31Å; E508-Y527 PolarHBondContact N-O 2.95Å; E508-Y527 WeakPolarHBondContact OE2-CE2 3.26Å; E508-R531 IonicContact OE1-CZ 2.75Å; E508-R531 IonicContact OE1-NE 3.98Å; E508-R531 PolarHBondContact OE1-NE 3.35Å; E508-R531 IonicContact OE1-NH2 3.98Å; E508-R531 PolarHBondContact OE1-NH2 2.99Å; E508-R531 IonicContact OE2-CZ 3.19Å; E508-R531 IonicContact OE2-NE 2.73Å; E508-R531 PolarHBondContact OE2-NE 3.45Å; E508-R531 IonicContact OE2-NH2 2.74Å
509	S	97.8	Very high	94.3	Very high	7 Å²	7	32.5 Å²	32.5	5%	0.049	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	151.3	170.5	63.6	0	0	0	0	112.9	K456 M457 P507 A520 E525	K456-S509 WeakPolarHBondContact CE-OG 3.43Å; K456-S509 PolarHBondContact NZ-OG 3.19Å; M457-S509 CarbonylContact O-C 3.44Å; M457-S509 WeakPolarHBondContact O-CA 3.36Å; M457-S509 WeakPolarHBondContact O-CB 3.4Å; P507-S509 PolarHBondContact O-N 2.9Å; P507-S509 VanDerWaalsContact O-N 3.12Å; S509-A520 WeakPolarHBondContact O-CA 3.46Å; S509-A520 WeakPolarHBondContact O-CB 3.5Å; S509-E525 PolarHBondContact N-O 3Å; S509-E525 WeakPolarHBondContact OG-CB 3.3Å; S509-E525 VanDerWaalsContact OG-CD 3.27Å; S509-E525 WeakPolarHBondContact OG-CG 3.36Å
510	F	97.5	Very high	94.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	156.7	-174.7	42.9	-90.4	0	0	0	111.6	K456 M457 T493 P507 F512 A518 V519	K456-F510 WeakPolarHBondContact CA-O 3.42Å; M457-F510 HydrophobicContact CB-CD2 4.13Å; M457-F510 HydrophobicContact CB-CE2 3.66Å; M457-F510 HydrophobicContact CB-CZ 4.16Å; M457-F510 HydrophobicContact CG-CE2 3.92Å; M457-F510 HydrophobicContact CG-CZ 4.04Å; M457-F510 PolarHBondContact N-O 2.91Å; M457-F510 PolarHBondContact O-N 3.45Å; M457-F510 HydrophobicContact SD-CE2 3.95Å; M457-F510 HydrophobicContact SD-CZ 4.21Å; T493-F510 HydrophobicContact CG2-CE2 4.38Å; P507-F510 HydrophobicContact CG-CB 4.28Å; P507-F510 HydrophobicContact CG-CD1 4.2Å; F510-F512 AromaticContact CD2-CE2 3.61Å; F510-F512 HydrophobicContact CD2-CE2 3.61Å; F510-F512 AromaticContact CD2-CZ 3.55Å; F510-F512 HydrophobicContact CD2-CZ 3.55Å; F510-F512 AromaticContact CE2-CE2 3.84Å; F510-F512 HydrophobicContact CE2-CE2 3.84Å; F510-F512 AromaticContact CE2-CZ 3.63Å; F510-F512 HydrophobicContact CE2-CZ 3.63Å; F510-A518 HydrophobicContact CD2-CB 4.46Å; F510-V519 WeakPolarHBondContact CA-O 3.23Å
511	K	96.7	Very high	93.9	Very high	38 Å²	38	29 Å²	29	17%	0.165	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	158.9	-173	-69.4	-164.9	171.5	-163.8	0	113.4	K456 V516 E517 A518 V519 V521	K456-K511 HydrophobicContact CB-CG 4.48Å; K456-K511 HydrophobicContact CG-CG 4.44Å; K511-V516 HydrophobicContact CB-CG2 4.15Å; K511-E517 CarbonylContact O-C 3.52Å; K511-E517 WeakPolarHBondContact O-CA 3.44Å; K511-A518 PolarHBondContact O-N 2.82Å; K511-V519 PolarHBondContact N-O 3.11Å; K511-V521 HydrophobicContact CB-CG2 4.45Å; K511-V521 HydrophobicContact CD-CB 4.47Å; K511-V521 HydrophobicContact CD-CG2 4.06Å; K511-V521 HydrophobicContact CG-CG2 4.47Å
512	F	95.7	Very high	93.7	Very high	5 Å²	5	35.3 Å²	35.3	2%	0.022	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	46.9	177.3	-57.3	-88.3	0	0	0	110.7	L442 F444 K455 M457 T493 F510 V516 A518	L442-F512 HydrophobicContact CB-CE1 4.17Å; L442-F512 HydrophobicContact CD1-CE1 4.18Å; F444-F512 HydrophobicContact CB-CD1 4.19Å; F444-F512 HydrophobicContact CB-CD2 3.68Å; F444-F512 HydrophobicContact CB-CE1 3.88Å; F444-F512 HydrophobicContact CB-CE2 3.34Å; F444-F512 HydrophobicContact CB-CG 4.09Å; F444-F512 HydrophobicContact CB-CZ 3.44Å; F444-F512 VanDerWaalsContact CB-CZ 3.44Å; F444-F512 HydrophobicContact CD1-CB 3.85Å; F444-F512 AromaticContact CD1-CD1 3.8Å; F444-F512 HydrophobicContact CD1-CD1 3.8Å; F444-F512 AromaticContact CD1-CD2 3.86Å; F444-F512 HydrophobicContact CD1-CD2 3.86Å; F444-F512 HydrophobicContact CD1-CE1 4.3Å; F444-F512 HydrophobicContact CD1-CE2 4.37Å; F444-F512 AromaticContact CD1-CG 3.54Å; F444-F512 HydrophobicContact CD1-CG 3.54Å; F444-F512 HydrophobicContact CD2-CB 4.48Å; F444-F512 AromaticContact CD2-CD2 3.6Å; F444-F512 HydrophobicContact CD2-CD2 3.6Å; F444-F512 HydrophobicContact CD2-CE2 4.04Å; F444-F512 HydrophobicContact CD2-CG 4.11Å; F444-F512 HydrophobicContact CE1-CB 3.68Å; F444-F512 HydrophobicContact CE1-CD1 4.44Å; F444-F512 HydrophobicContact CE1-CD2 4.4Å; F444-F512 AromaticContact CE1-CG 3.93Å; F444-F512 HydrophobicContact CE1-CG 3.93Å; F444-F512 HydrophobicContact CE2-CB 4.35Å; F444-F512 HydrophobicContact CE2-CD2 4.19Å; F444-F512 HydrophobicContact CE2-CG 4.47Å; F444-F512 HydrophobicContact CG-CB 4.25Å; F444-F512 HydrophobicContact CG-CD1 4.08Å; F444-F512 AromaticContact CG-CD2 3.42Å; F444-F512 HydrophobicContact CG-CD2 3.42Å; F444-F512 VanDerWaalsContact CG-CD2 3.42Å; F444-F512 HydrophobicContact CG-CE1 4.28Å; F444-F512 AromaticContact CG-CE2 3.68Å; F444-F512 HydrophobicContact CG-CE2 3.68Å; F444-F512 AromaticContact CG-CG 3.64Å; F444-F512 HydrophobicContact CG-CG 3.64Å; F444-F512 HydrophobicContact CG-CZ 4.1Å; F444-F512 HydrophobicContact CZ-CB 3.95Å; F444-F512 HydrophobicContact CZ-CG 4.38Å; K455-F512 HydrophobicContact CB-CB 4.32Å; K455-F512 WeakPolarHBondContact CD-O 3.29Å; K455-F512 PolarHBondContact O-N 3.23Å; M457-F512 HydrophobicContact CB-CE2 3.76Å; T493-F512 HydrophobicContact CG2-CE1 3.74Å; T493-F512 HydrophobicContact CG2-CZ 3.46Å; T493-F512 VanDerWaalsContact CG2-CZ 3.46Å; F510-F512 AromaticContact CD2-CE2 3.61Å; F510-F512 HydrophobicContact CD2-CE2 3.61Å; F510-F512 AromaticContact CD2-CZ 3.55Å; F510-F512 HydrophobicContact CD2-CZ 3.55Å; F510-F512 AromaticContact CE2-CE2 3.84Å; F510-F512 HydrophobicContact CE2-CE2 3.84Å; F510-F512 AromaticContact CE2-CZ 3.63Å; F510-F512 HydrophobicContact CE2-CZ 3.63Å; F512-V516 CarbonylContact C-O 3.59Å; F512-V516 WeakPolarHBondContact CA-O 3.36Å; F512-A518 HydrophobicContact CE1-CB 4.09Å; F512-A518 HydrophobicContact CZ-CB 4.39Å
513	D	85.7	Confident	93.6	Very high	60 Å²	60	38.4 Å²	38.4	32%	0.321	22%	0.215	S	C	.	.	S	Bend	trans	-83.9	169.5	173.7	68.9	42	0	0	0	110.7	A515 V516	D513-A515 PolarHBondContact O-N 2.81Å; D513-A515 PolarHBondContact OD1-N 3.35Å; D513-V516 VanDerWaalsContact CG-CG2 3.49Å; D513-V516 PolarHBondContact N-O 2.83Å; D513-V516 PolarHBondContact O-N 2.74Å; D513-V516 WeakPolarHBondContact OD1-CG2 3.38Å; D513-V516 PolarHBondContact OD1-N 3.38Å; D513-V516 WeakPolarHBondContact OD2-CG2 3.11Å
514	G	69.6	Low	93.4	Very high	49 Å²	49	42.3 Å²	42.3	51%	0.505	25%	0.247	S	C	.	.	S	Bend	trans	-64.4	-9.9	-173.3	0	0	0	0	0	115.1	R439	R439-G514 PolarHBondContact NH1-O 3.11Å
515	A	76.9	Confident	93.4	Very high	94 Å²	94	39 Å²	39	78%	0.777	23%	0.233	S	C	*	.	S	Bend	trans	-108.6	-24.8	-179.7	0	0	0	0	0	112.8	D513	D513-A515 PolarHBondContact O-N 2.81Å; D513-A515 PolarHBondContact OD1-N 3.35Å
516	V	87.7	Confident	93.4	Very high	39 Å²	39	41 Å²	41	24%	0.236	24%	0.242	C	C	.	.			trans	-136.7	139.3	179.1	-67.2	0	0	0	0	112.9	K511 F512 D513 V519 V521	K511-V516 HydrophobicContact CB-CG2 4.15Å; F512-V516 CarbonylContact C-O 3.59Å; F512-V516 WeakPolarHBondContact CA-O 3.36Å; D513-V516 VanDerWaalsContact CG-CG2 3.49Å; D513-V516 PolarHBondContact N-O 2.83Å; D513-V516 PolarHBondContact O-N 2.74Å; D513-V516 WeakPolarHBondContact OD1-CG2 3.38Å; D513-V516 PolarHBondContact OD1-N 3.38Å; D513-V516 WeakPolarHBondContact OD2-CG2 3.11Å; V516-V519 HydrophobicContact CB-CG2 3.55Å; V516-V519 HydrophobicContact CG1-CG2 3.86Å; V516-V519 HydrophobicContact CG2-CG2 4.32Å; V516-V521 HydrophobicContact CG2-CG2 3.64Å
517	E	94.3	Very high	93.4	Very high	33 Å²	33	44.6 Å²	44.6	15%	0.154	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	131.4	175.8	-70.6	-173.5	176.5	0	0	110.2	S438 R439 G440 L442 R500 K511 V519	S438-E517 WeakPolarHBondContact CB-OE1 3.37Å; R439-E517 WeakPolarHBondContact CA-OE1 3.36Å; R439-E517 WeakPolarHBondContact CB-OE1 3.25Å; R439-E517 PolarHBondContact N-OE1 2.97Å; G440-E517 VanDerWaalsContact CA-OE2 3.29Å; G440-E517 WeakPolarHBondContact CA-OE2 3.31Å; G440-E517 PolarHBondContact N-OE1 2.81Å; G440-E517 PolarHBondContact N-OE2 2.88Å; L442-E517 HydrophobicContact CD1-CB 4.41Å; R500-E517 VanDerWaalsContact NH1-C 3.33Å; R500-E517 PolarHBondContact NH1-O 2.79Å; K511-E517 CarbonylContact O-C 3.52Å; K511-E517 WeakPolarHBondContact O-CA 3.44Å; E517-V519 PolarHBondContact O-N 3.19Å
518	A	96.8	Very high	93.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	52.7	34.3	178.5	0	0	0	0	0	114.3	L442 E496 S497 F510 K511 F512	L442-A518 HydrophobicContact CD1-CB 3.9Å; E496-A518 HydrophobicContact CB-CB 4.39Å; S497-A518 WeakPolarHBondContact CA-O 3.43Å; F510-A518 HydrophobicContact CD2-CB 4.46Å; K511-A518 PolarHBondContact O-N 2.82Å; F512-A518 HydrophobicContact CE1-CB 4.09Å; F512-A518 HydrophobicContact CZ-CB 4.39Å
519	V	96.9	Very high	93.4	Very high	29 Å²	29	44.4 Å²	44.4	18%	0.176	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	151.3	172.5	-63.4	0	0	0	0	112.3	R500 F510 K511 V516 E517 Y578	R500-V519 HydrophobicContact CB-CG1 3.79Å; F510-V519 WeakPolarHBondContact CA-O 3.23Å; K511-V519 PolarHBondContact N-O 3.11Å; V516-V519 HydrophobicContact CB-CG2 3.55Å; V516-V519 HydrophobicContact CG1-CG2 3.86Å; V516-V519 HydrophobicContact CG2-CG2 4.32Å; E517-V519 PolarHBondContact O-N 3.19Å; V519-Y578 VanDerWaalsContact CA-OH 3.23Å; V519-Y578 WeakPolarHBondContact CA-OH 3.24Å; V519-Y578 HydrophobicContact CB-CE1 4.24Å; V519-Y578 WeakPolarHBondContact CB-OH 3.49Å; V519-Y578 HydrophobicContact CG1-CE1 4.11Å
520	A	96.6	Very high	93.4	Very high	10 Å²	10	44.1 Å²	44.1	8%	0.083	25%	0.253	C	S	.	.			trans	-79.9	136.2	175.3	0	0	0	0	0	111.3	P507 S509 E525 K526 Y578	P507-A520 HydrophobicContact CB-CB 3.68Å; P507-A520 HydrophobicContact CG-CB 3.84Å; S509-A520 WeakPolarHBondContact O-CA 3.46Å; S509-A520 WeakPolarHBondContact O-CB 3.5Å; A520-E525 HydrophobicContact CB-CB 4.46Å; A520-K526 HydrophobicContact CB-CG 3.91Å; A520-Y578 HydrophobicContact CB-CE2 3.91Å; A520-Y578 PolarHBondContact N-OH 2.88Å
521	V	92.7	Very high	93.5	Very high	75 Å²	75	46 Å²	46	46%	0.455	26%	0.26	S	S	.	.			trans	-101.1	-38.7	179.2	-179.7	0	0	0	0	111.5	K511 V516	K511-V521 HydrophobicContact CB-CG2 4.45Å; K511-V521 HydrophobicContact CD-CB 4.47Å; K511-V521 HydrophobicContact CD-CG2 4.06Å; K511-V521 HydrophobicContact CG-CG2 4.47Å; V516-V521 HydrophobicContact CG2-CG2 3.64Å
522	R	94.3	Very high	93.6	Very high	137 Å²	137	44.1 Å²	44.1	52%	0.517	25%	0.252	S	S	.	.	S	Bend	trans	-89.2	136.7	-176.4	-64.1	176.5	171	165.3	-2.4	110.3	A524 E525	R522-A524 PolarHBondContact O-N 2.9Å; R522-E525 HydrophobicContact CB-CB 4.37Å; R522-E525 HydrophobicContact CB-CG 4.08Å; R522-E525 WeakPolarHBondContact CB-OE2 3.39Å; R522-E525 IonicContact NH1-OE1 3.58Å; R522-E525 WeakPolarHBondContact O-CB 3.49Å; R522-E525 PolarHBondContact O-N 3.3Å
523	Q	94.4	Very high	93.7	Very high	111 Å²	111	44.7 Å²	44.7	52%	0.519	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-55.7	-38.2	179.4	-169	61.4	34.6	0	0	112.9	E525 K526 D576	Q523-E525 PolarHBondContact O-N 3.24Å; Q523-E525 VanDerWaalsContact O-N 3.13Å; Q523-K526 PolarHBondContact O-N 2.79Å; Q523-D576 PolarHBondContact NE2-OD2 3.35Å
524	A	96.2	Very high	94.4	Very high	83 Å²	83	41.8 Å²	41.8	69%	0.686	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-69.1	-4.8	179	0	0	0	0	0	114.2	R522 Y527	R522-A524 PolarHBondContact O-N 2.9Å; A524-Y527 VanDerWaalsContact O-CD1 3.28Å; A524-Y527 WeakPolarHBondContact O-CD1 3.41Å; A524-Y527 WeakPolarHBondContact O-CE1 3.5Å
525	E	96.9	Very high	95.8	Very high	20 Å²	20	39.5 Å²	39.5	9%	0.093	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-114.2	-2.1	-177.3	-65.4	172	169.9	0	0	112.1	K456 P507 E508 S509 A520 R522 Q523 Y527	K456-E525 IonicContact NZ-OE1 2.67Å; K456-E525 PolarHBondContact NZ-OE1 3.24Å; K456-E525 IonicContact NZ-OE2 3.97Å; P507-E525 WeakPolarHBondContact CB-O 3.39Å; E508-E525 PolarHBondContact N-O 3.17Å; S509-E525 PolarHBondContact N-O 3Å; S509-E525 WeakPolarHBondContact OG-CB 3.3Å; S509-E525 VanDerWaalsContact OG-CD 3.27Å; S509-E525 WeakPolarHBondContact OG-CG 3.36Å; A520-E525 HydrophobicContact CB-CB 4.46Å; R522-E525 HydrophobicContact CB-CB 4.37Å; R522-E525 HydrophobicContact CB-CG 4.08Å; R522-E525 WeakPolarHBondContact CB-OE2 3.39Å; R522-E525 IonicContact NH1-OE1 3.58Å; R522-E525 WeakPolarHBondContact O-CB 3.49Å; R522-E525 PolarHBondContact O-N 3.3Å; Q523-E525 PolarHBondContact O-N 3.24Å; Q523-E525 VanDerWaalsContact O-N 3.13Å; E525-Y527 VanDerWaalsContact C-N 3.34Å
526	K	98.3	Very high	96.8	Very high	40 Å²	40	35.3 Å²	35.3	17%	0.174	18%	0.18	C	C	.	.			trans	-85.5	0.5	-175.2	-65.7	-179.2	179.6	177.1	0	114.7	A520 Q523 D576 V577 Y578	A520-K526 HydrophobicContact CB-CG 3.91Å; Q523-K526 PolarHBondContact O-N 2.79Å; K526-D576 WeakPolarHBondContact CD-OD1 3.39Å; K526-D576 WeakPolarHBondContact CD-OD2 3.49Å; K526-D576 IonicContact NZ-OD2 3.72Å; K526-D576 WeakPolarHBondContact O-CA 3.28Å; K526-V577 WeakPolarHBondContact O-CG2 3.13Å; K526-V577 PolarHBondContact O-N 3.09Å; K526-Y578 HydrophobicContact CB-CD2 4.2Å; K526-Y578 HydrophobicContact CB-CE2 4.38Å; K526-Y578 HydrophobicContact CD-CD2 3.88Å; K526-Y578 HydrophobicContact CD-CE2 4.43Å; K526-Y578 HydrophobicContact CG-CD2 3.9Å; K526-Y578 HydrophobicContact CG-CE2 4Å
527	Y	98.6	Very high	97.4	Very high	76 Å²	76	33.5 Å²	33.5	30%	0.298	17%	0.169	S	C	.	.			trans	-80.7	159.3	-176.4	65.9	-100.3	0	0	0	111.4	P507 E508 A524 E525 I529 V574	P507-Y527 CarbonylContact C-O 3.47Å; P507-Y527 WeakPolarHBondContact CA-O 3.37Å; E508-Y527 HydrophobicContact CB-CD1 4.29Å; E508-Y527 HydrophobicContact CB-CD2 3.98Å; E508-Y527 HydrophobicContact CB-CE1 3.9Å; E508-Y527 HydrophobicContact CB-CE2 3.6Å; E508-Y527 HydrophobicContact CB-CG 4.34Å; E508-Y527 HydrophobicContact CG-CE1 4.06Å; E508-Y527 HydrophobicContact CG-CE2 3.68Å; E508-Y527 VanDerWaalsContact CG-CZ 3.4Å; E508-Y527 VanDerWaalsContact CG-OH 3.28Å; E508-Y527 WeakPolarHBondContact CG-OH 3.31Å; E508-Y527 PolarHBondContact N-O 2.95Å; E508-Y527 WeakPolarHBondContact OE2-CE2 3.26Å; A524-Y527 VanDerWaalsContact O-CD1 3.28Å; A524-Y527 WeakPolarHBondContact O-CD1 3.41Å; A524-Y527 WeakPolarHBondContact O-CE1 3.5Å; E525-Y527 VanDerWaalsContact C-N 3.34Å; Y527-I529 HydrophobicContact CD2-CG1 4.49Å; Y527-I529 HydrophobicContact CD2-CG2 3.6Å; Y527-I529 HydrophobicContact CE2-CD1 4.26Å; Y527-I529 HydrophobicContact CE2-CG1 4.22Å; Y527-I529 HydrophobicContact CE2-CG2 3.87Å; Y527-V574 CarbonylContact C-O 3.55Å; Y527-V574 WeakPolarHBondContact CA-O 3.28Å; Y527-V574 WeakPolarHBondContact CB-O 3.33Å
528	Y	98.8	Very high	97.6	Very high	1 Å²	1	32 Å²	32	0%	0.004	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-132.3	119.8	169	171.6	-103.3	0	0	0	108.5	H459 Y498 L505 G506 L530 R531 I561 G573 V574	H459-Y528 AromaticContact NE2-CE2 3.97Å; Y498-Y528 WeakPolarHBondContact OH-CE2 3.45Å; L505-Y528 HydrophobicContact CB-CD1 4.15Å; L505-Y528 HydrophobicContact CB-CG 4.12Å; L505-Y528 HydrophobicContact CD1-CD1 3.82Å; L505-Y528 HydrophobicContact CD1-CE1 4.07Å; L505-Y528 HydrophobicContact CD2-CD1 4.29Å; L505-Y528 HydrophobicContact CD2-CE1 3.89Å; L505-Y528 HydrophobicContact CG-CD1 4.31Å; L505-Y528 HydrophobicContact CG-CE1 4.39Å; G506-Y528 WeakPolarHBondContact O-CD2 3.3Å; Y528-L530 HydrophobicContact CD1-CD2 4.49Å; Y528-L530 VanDerWaalsContact CE1-CA 3.48Å; Y528-L530 HydrophobicContact CE1-CD2 3.98Å; Y528-L530 VanDerWaalsContact CZ-CA 3.48Å; Y528-R531 PolarHBondContact OH-O 3.41Å; Y528-I561 HydrophobicContact CE1-CG1 4.4Å; Y528-G573 CarbonylContact O-C 3.58Å; Y528-G573 WeakPolarHBondContact O-CA 3.44Å; Y528-V574 HydrophobicContact CD1-CG2 4.43Å; Y528-V574 PolarHBondContact N-O 3.46Å; Y528-V574 PolarHBondContact O-N 2.69Å
529	I	98.6	Very high	97.7	Very high	26 Å²	26	32 Å²	32	13%	0.133	16%	0.162	C	C	.	.			trans	-107.7	35.8	-174	57.5	169.5	0	0	0	112.3	Y527 R531 Q589 F591	Y527-I529 HydrophobicContact CD2-CG1 4.49Å; Y527-I529 HydrophobicContact CD2-CG2 3.6Å; Y527-I529 HydrophobicContact CE2-CD1 4.26Å; Y527-I529 HydrophobicContact CE2-CG1 4.22Å; Y527-I529 HydrophobicContact CE2-CG2 3.87Å; I529-R531 VanDerWaalsContact C-N 3.32Å; I529-R531 HydrophobicContact CD1-CG 4.34Å; I529-R531 HydrophobicContact CG1-CG 3.7Å; I529-R531 PolarHBondContact O-N 2.87Å; I529-Q589 WeakPolarHBondContact O-CG 3.49Å; I529-F591 HydrophobicContact CD1-CZ 4.18Å; I529-F591 HydrophobicContact CG1-CZ 4.28Å; I529-F591 WeakPolarHBondContact O-CE2 3.34Å; I529-F591 WeakPolarHBondContact O-CZ 3.43Å
530	L	98.8	Very high	97.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.154	C	C	.	.			trans	70.3	22.3	177.9	-48.5	176.4	0	0	0	115.2	Y528 C565 F571 F592 T596	Y528-L530 HydrophobicContact CD1-CD2 4.49Å; Y528-L530 VanDerWaalsContact CE1-CA 3.48Å; Y528-L530 HydrophobicContact CE1-CD2 3.98Å; Y528-L530 VanDerWaalsContact CZ-CA 3.48Å; L530-C565 HydrophobicContact CD2-CB 3.66Å; L530-F571 HydrophobicContact CD1-CB 4.05Å; L530-F592 HydrophobicContact CB-CB 4.02Å; L530-F592 HydrophobicContact CB-CD2 3.68Å; L530-F592 HydrophobicContact CB-CE2 4.48Å; L530-F592 HydrophobicContact CB-CG 4.07Å; L530-F592 HydrophobicContact CD1-CB 4.08Å; L530-F592 HydrophobicContact CD1-CD1 4.37Å; L530-F592 HydrophobicContact CD1-CD2 4.18Å; L530-F592 HydrophobicContact CD1-CG 3.94Å; L530-F592 HydrophobicContact CD2-CD2 4.44Å; L530-F592 HydrophobicContact CG-CD2 4.32Å; L530-T596 PolarHBondContact O-OG1 2.94Å
531	R	98.8	Very high	97.9	Very high	39 Å²	39	30.3 Å²	30.3	15%	0.147	15%	0.15	C	C	.	.			trans	-64.2	151.2	-174.2	-68.3	-164.7	178	-80.3	6	114	E508 Y528 I529 E533 F591	E508-R531 IonicContact OE1-CZ 2.75Å; E508-R531 IonicContact OE1-NE 3.98Å; E508-R531 PolarHBondContact OE1-NE 3.35Å; E508-R531 IonicContact OE1-NH2 3.98Å; E508-R531 PolarHBondContact OE1-NH2 2.99Å; E508-R531 IonicContact OE2-CZ 3.19Å; E508-R531 IonicContact OE2-NE 2.73Å; E508-R531 PolarHBondContact OE2-NE 3.45Å; E508-R531 IonicContact OE2-NH2 2.74Å; Y528-R531 PolarHBondContact OH-O 3.41Å; I529-R531 VanDerWaalsContact C-N 3.32Å; I529-R531 HydrophobicContact CD1-CG 4.34Å; I529-R531 HydrophobicContact CG1-CG 3.7Å; I529-R531 PolarHBondContact O-N 2.87Å; R531-E533 VanDerWaalsContact CB-OE2 3.29Å; R531-E533 WeakPolarHBondContact CB-OE2 3.47Å; R531-E533 WeakPolarHBondContact CD-OE2 3.06Å; R531-E533 IonicContact NH1-OE1 2.9Å; R531-F591 HydrophobicContact CG-CE2 4.32Å; R531-F591 HydrophobicContact CG-CZ 4.41Å
532	P	98.8	Very high	98.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.132	C	C	.	.			trans	-94.7	-20.1	-174.1	35.8	-38.7	0	0	0	116.3	V534 I535 E536 E595 T596 Y599	P532-V534 PolarHBondContact O-N 3.2Å; P532-I535 WeakPolarHBondContact O-CA 3.43Å; P532-I535 WeakPolarHBondContact O-CB 3.37Å; P532-I535 PolarHBondContact O-N 3.49Å; P532-E536 PolarHBondContact O-N 2.95Å; P532-E595 HydrophobicContact CB-CB 3.51Å; P532-E595 HydrophobicContact CG-CB 3.65Å; P532-E595 HydrophobicContact CG-CG 4.26Å; P532-T596 WeakPolarHBondContact CA-OG1 3.3Å; P532-T596 WeakPolarHBondContact CB-OG1 3.45Å; P532-Y599 HydrophobicContact CB-CD2 4.25Å
533	E	98.9	Very high	98.3	Very high	16 Å²	16	22 Å²	22	8%	0.075	11%	0.111	C	C	.	.	H	α-helix	trans	-65.9	-23.7	-152.7	-55.4	82.4	-166.3	0	0	114.5	H459 L460 C462 F463 R531 T537	H459-E533 IonicContact CE1-OE2 2.93Å; H459-E533 PolarHBondContact CE1-OE2 3.4Å; H459-E533 IonicContact CG-OE2 3.74Å; H459-E533 IonicContact ND1-OE2 3.73Å; H459-E533 PolarHBondContact ND1-OE2 2.92Å; L460-E533 HydrophobicContact CD2-CG 4.47Å; L460-E533 WeakPolarHBondContact CD2-OE1 3.35Å; C462-E533 HydrophobicContact CB-CB 4.43Å; F463-E533 HydrophobicContact CB-CB 3.97Å; F463-E533 HydrophobicContact CB-CG 4.16Å; R531-E533 VanDerWaalsContact CB-OE2 3.29Å; R531-E533 WeakPolarHBondContact CB-OE2 3.47Å; R531-E533 WeakPolarHBondContact CD-OE2 3.06Å; R531-E533 IonicContact NH1-OE1 2.9Å; E533-T537 PolarHBondContact O-N 3.41Å; E533-T537 PolarHBondContact O-OG1 3.18Å
534	V	98.9	Very high	98.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-72.2	-43	172.8	175.2	0	0	0	0	111.4	C462 C494 Y498 P532 T537 Y538	C462-V534 HydrophobicContact CB-CG2 3.57Å; C494-V534 HydrophobicContact CB-CG1 4.29Å; C494-V534 HydrophobicContact CB-CG2 3.92Å; Y498-V534 HydrophobicContact CD2-CG1 4.36Å; Y498-V534 HydrophobicContact CD2-CG2 4.31Å; Y498-V534 HydrophobicContact CE2-CB 3.92Å; Y498-V534 HydrophobicContact CE2-CG1 4.01Å; Y498-V534 HydrophobicContact CE2-CG2 3.52Å; P532-V534 PolarHBondContact O-N 3.2Å; V534-T537 PolarHBondContact O-N 2.96Å; V534-Y538 HydrophobicContact CG1-CD2 4.41Å; V534-Y538 HydrophobicContact CG1-CE1 3.83Å; V534-Y538 HydrophobicContact CG1-CE2 3.6Å; V534-Y538 WeakPolarHBondContact CG1-OH 3.32Å; V534-Y538 WeakPolarHBondContact O-CD1 3.47Å; V534-Y538 VanDerWaalsContact O-CG 3.27Å; V534-Y538 PolarHBondContact O-N 3.45Å; V534-Y538 VanDerWaalsContact O-N 3.1Å
535	I	98.9	Very high	98.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-70.9	-38.9	178.5	-68.3	162.9	0	0	0	110.3	P532 T537 Y538 W539 A557 I561 T596 L600	P532-I535 WeakPolarHBondContact O-CA 3.43Å; P532-I535 WeakPolarHBondContact O-CB 3.37Å; P532-I535 PolarHBondContact O-N 3.49Å; I535-T537 VanDerWaalsContact C-N 3.3Å; I535-T537 PolarHBondContact O-N 3.14Å; I535-Y538 WeakPolarHBondContact O-CB 3.25Å; I535-Y538 PolarHBondContact O-N 2.99Å; I535-Y538 VanDerWaalsContact O-N 3.15Å; I535-W539 PolarHBondContact O-N 3.3Å; I535-A557 HydrophobicContact CD1-CB 4.22Å; I535-A557 HydrophobicContact CG1-CB 4.33Å; I535-I561 HydrophobicContact CD1-CD1 4.27Å; I535-T596 HydrophobicContact CD1-CG2 3.82Å; I535-L600 HydrophobicContact CD1-CD1 4.18Å; I535-L600 HydrophobicContact CD1-CD2 4.15Å; I535-L600 HydrophobicContact CD1-CG 4.09Å; I535-L600 HydrophobicContact CG1-CD2 4.35Å; I535-L600 HydrophobicContact CG2-CD2 3.81Å; I535-L600 HydrophobicContact CG2-CG 3.76Å
536	E	98.9	Very high	98.6	Very high	7 Å²	7	22.5 Å²	22.5	3%	0.033	10%	0.101	C	C	.	.	H	α-helix	trans	-53	-50.2	171.6	178.2	-174.7	-179	0	0	110.7	P532 Y538 W539 Y540 Y599	P532-E536 PolarHBondContact O-N 2.95Å; E536-Y538 VanDerWaalsContact C-N 3.33Å; E536-Y538 PolarHBondContact O-N 3.43Å; E536-W539 WeakPolarHBondContact O-CB 3.44Å; E536-W539 PolarHBondContact O-N 2.9Å; E536-W539 VanDerWaalsContact O-N 3.14Å; E536-Y540 HydrophobicContact CG-CD2 3.93Å; E536-Y540 HydrophobicContact CG-CE2 3.71Å; E536-Y540 WeakPolarHBondContact O-CD2 3.38Å; E536-Y540 PolarHBondContact O-N 3.06Å; E536-Y540 VanDerWaalsContact O-N 3.08Å; E536-Y599 HydrophobicContact CB-CD2 3.74Å; E536-Y599 HydrophobicContact CB-CE2 3.66Å; E536-Y599 HydrophobicContact CB-CG 4.28Å; E536-Y599 HydrophobicContact CG-CD2 4.21Å; E536-Y599 HydrophobicContact CG-CE1 4.18Å; E536-Y599 HydrophobicContact CG-CE2 3.69Å
537	T	98.9	Very high	98.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-60.5	-40.6	177.3	-80.7	0	0	0	0	112.5	C462 F463 G466 A491 E533 V534 I535 W539 L541	C462-T537 PolarHBondContact O-OG1 2.79Å; F463-T537 PolarHBondContact O-OG1 3.02Å; G466-T537 PolarHBondContact N-OG1 3.05Å; A491-T537 HydrophobicContact CB-CG2 3.56Å; E533-T537 PolarHBondContact O-N 3.41Å; E533-T537 PolarHBondContact O-OG1 3.18Å; V534-T537 PolarHBondContact O-N 2.96Å; I535-T537 VanDerWaalsContact C-N 3.3Å; I535-T537 PolarHBondContact O-N 3.14Å; T537-W539 VanDerWaalsContact C-N 3.31Å; T537-W539 PolarHBondContact O-N 2.99Å; T537-L541 HydrophobicContact CG2-CD1 3.74Å; T537-L541 WeakPolarHBondContact O-CB 3.49Å; T537-L541 WeakPolarHBondContact O-CG 3.11Å; T537-L541 PolarHBondContact O-N 2.83Å
538	Y	98.9	Very high	98.6	Very high	1 Å²	1	23.5 Å²	23.5	0%	0.004	12%	0.119	C	C	.	.	H	α-helix	trans	-63	-39.2	175.4	-61.2	-17.7	0	0	0	112.1	A491 H495 V534 I535 E536 W542 Y550 W553	A491-Y538 HydrophobicContact CB-CD1 4.47Å; A491-Y538 HydrophobicContact CB-CE1 4.36Å; H495-Y538 WeakPolarHBondContact CA-OH 3.22Å; H495-Y538 WeakPolarHBondContact CB-OH 3.32Å; V534-Y538 HydrophobicContact CG1-CD2 4.41Å; V534-Y538 HydrophobicContact CG1-CE1 3.83Å; V534-Y538 HydrophobicContact CG1-CE2 3.6Å; V534-Y538 WeakPolarHBondContact CG1-OH 3.32Å; V534-Y538 WeakPolarHBondContact O-CD1 3.47Å; V534-Y538 VanDerWaalsContact O-CG 3.27Å; V534-Y538 PolarHBondContact O-N 3.45Å; V534-Y538 VanDerWaalsContact O-N 3.1Å; I535-Y538 WeakPolarHBondContact O-CB 3.25Å; I535-Y538 PolarHBondContact O-N 2.99Å; I535-Y538 VanDerWaalsContact O-N 3.15Å; E536-Y538 VanDerWaalsContact C-N 3.33Å; E536-Y538 PolarHBondContact O-N 3.43Å; Y538-W542 VanDerWaalsContact O-CB 3.28Å; Y538-W542 WeakPolarHBondContact O-CB 3.33Å; Y538-W542 PolarHBondContact O-N 3.32Å; Y538-Y550 HydrophobicContact CD1-CD1 4.1Å; Y538-W553 HydrophobicContact CD1-CE3 4.14Å; Y538-W553 HydrophobicContact CD2-CB 4.04Å; Y538-W553 HydrophobicContact CE1-CB 4.49Å; Y538-W553 AromaticContact CE1-CE3 3.66Å; Y538-W553 HydrophobicContact CE1-CE3 3.66Å; Y538-W553 HydrophobicContact CE1-CZ3 4.32Å; Y538-W553 HydrophobicContact CE2-CB 3.62Å
539	W	98.8	Very high	98.6	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-64.4	-49.5	178	170	61.6	0	0	0	112.2	I535 E536 T537 L541 W542 R543 Y599 L602 L603 L612 F617	I535-W539 PolarHBondContact O-N 3.3Å; E536-W539 WeakPolarHBondContact O-CB 3.44Å; E536-W539 PolarHBondContact O-N 2.9Å; E536-W539 VanDerWaalsContact O-N 3.14Å; T537-W539 VanDerWaalsContact C-N 3.31Å; T537-W539 PolarHBondContact O-N 2.99Å; W539-L541 PolarHBondContact O-N 2.82Å; W539-W542 PolarHBondContact O-N 2.84Å; W539-R543 WeakPolarHBondContact O-CG 3.46Å; W539-R543 PolarHBondContact O-N 3.46Å; W539-Y599 AromaticContact CD2-CD1 3.89Å; W539-Y599 HydrophobicContact CD2-CD1 3.89Å; W539-Y599 HydrophobicContact CD2-CE1 4.35Å; W539-Y599 AromaticContact CE3-CD1 3.37Å; W539-Y599 HydrophobicContact CE3-CD1 3.37Å; W539-Y599 AromaticContact CE3-CE1 3.43Å; W539-Y599 HydrophobicContact CE3-CE1 3.43Å; W539-Y599 VanDerWaalsContact CE3-CE1 3.43Å; W539-Y599 HydrophobicContact CG-CD1 4.39Å; W539-Y599 HydrophobicContact CH2-CE1 4.41Å; W539-Y599 AromaticContact CZ3-CD1 3.86Å; W539-Y599 HydrophobicContact CZ3-CD1 3.86Å; W539-Y599 AromaticContact CZ3-CE1 3.46Å; W539-Y599 HydrophobicContact CZ3-CE1 3.46Å; W539-Y599 VanDerWaalsContact CZ3-CE1 3.46Å; W539-L602 HydrophobicContact CG-CB 4.39Å; W539-L602 HydrophobicContact CH2-CD1 4.46Å; W539-L602 HydrophobicContact CZ2-CD1 3.99Å; W539-L603 HydrophobicContact CB-CB 4.49Å; W539-L612 HydrophobicContact CH2-CD2 3.47Å; W539-L612 VanDerWaalsContact CH2-CD2 3.47Å; W539-L612 HydrophobicContact CZ2-CD2 3.85Å; W539-L612 HydrophobicContact CZ3-CD2 4.32Å; W539-F617 HydrophobicContact CH2-CD1 4.47Å; W539-F617 AromaticContact CH2-CD2 3.58Å; W539-F617 HydrophobicContact CH2-CD2 3.58Å; W539-F617 HydrophobicContact CH2-CE1 4.21Å; W539-F617 AromaticContact CH2-CE2 3.3Å; W539-F617 HydrophobicContact CH2-CE2 3.3Å; W539-F617 HydrophobicContact CH2-CG 4.19Å; W539-F617 AromaticContact CH2-CZ 3.63Å; W539-F617 HydrophobicContact CH2-CZ 3.63Å; W539-F617 AromaticContact CZ2-CE2 3.97Å; W539-F617 HydrophobicContact CZ2-CE2 3.97Å; W539-F617 HydrophobicContact CZ2-CZ 4.05Å; W539-F617 HydrophobicContact CZ3-CD2 4.11Å; W539-F617 HydrophobicContact CZ3-CE2 4.21Å; W539-F617 HydrophobicContact CZ3-CG 4.34Å; W539-F617 HydrophobicContact CZ3-CZ 4.46Å
540	Y	98.8	Very high	98.6	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.016	13%	0.13	C	C	.	.	H	α-helix	trans	-59	-47.5	175.5	-79.2	-69.3	0	0	0	111.7	L470 E536 W542 R543 F544 L612	L470-Y540 HydrophobicContact CB-CD1 4.3Å; L470-Y540 HydrophobicContact CB-CE1 4.39Å; L470-Y540 HydrophobicContact CD1-CD1 4.3Å; L470-Y540 HydrophobicContact CD1-CE1 3.98Å; L470-Y540 HydrophobicContact CD2-CE1 3.86Å; L470-Y540 HydrophobicContact CG-CE1 4.28Å; E536-Y540 HydrophobicContact CG-CD2 3.93Å; E536-Y540 HydrophobicContact CG-CE2 3.71Å; E536-Y540 WeakPolarHBondContact O-CD2 3.38Å; E536-Y540 PolarHBondContact O-N 3.06Å; E536-Y540 VanDerWaalsContact O-N 3.08Å; Y540-W542 VanDerWaalsContact C-N 3.33Å; Y540-W542 PolarHBondContact O-N 3.26Å; Y540-R543 PolarHBondContact O-N 3.41Å; Y540-F544 AromaticContact CD1-CE2 3.94Å; Y540-F544 HydrophobicContact CD1-CE2 3.94Å; Y540-F544 WeakPolarHBondContact O-CD2 3.49Å; Y540-F544 PolarHBondContact O-N 3.19Å; Y540-L612 HydrophobicContact CD1-CD1 4Å; Y540-L612 HydrophobicContact CD1-CD2 4.4Å; Y540-L612 HydrophobicContact CE1-CD1 4.23Å; Y540-L612 HydrophobicContact CE1-CD2 3.87Å
541	L	98.8	Very high	98.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-64.5	-37.3	179.9	-74.5	166.9	0	0	0	112.4	A469 L484 A491 T537 W539 F544 T545 Y550	A469-L541 HydrophobicContact CB-CD2 3.73Å; A469-L541 HydrophobicContact CB-CG 4.31Å; L484-L541 HydrophobicContact CD1-CD2 4.23Å; A491-L541 HydrophobicContact CB-CD1 3.26Å; T537-L541 HydrophobicContact CG2-CD1 3.74Å; T537-L541 WeakPolarHBondContact O-CB 3.49Å; T537-L541 WeakPolarHBondContact O-CG 3.11Å; T537-L541 PolarHBondContact O-N 2.83Å; W539-L541 PolarHBondContact O-N 2.82Å; L541-F544 PolarHBondContact O-N 2.94Å; L541-T545 VanDerWaalsContact O-CB 3.31Å; L541-T545 WeakPolarHBondContact O-CB 3.42Å; L541-T545 WeakPolarHBondContact O-CG2 3.19Å; L541-T545 PolarHBondContact O-N 3.4Å; L541-T545 PolarHBondContact O-OG1 2.66Å; L541-Y550 HydrophobicContact CB-CD1 4.03Å; L541-Y550 HydrophobicContact CB-CD2 3.77Å; L541-Y550 HydrophobicContact CB-CE1 3.85Å; L541-Y550 HydrophobicContact CB-CE2 3.58Å; L541-Y550 HydrophobicContact CB-CG 4Å; L541-Y550 HydrophobicContact CD1-CD1 4.26Å; L541-Y550 HydrophobicContact CD1-CE1 3.57Å; L541-Y550 HydrophobicContact CG-CE1 4.31Å
542	W	98.7	Very high	98.6	Very high	22 Å²	22	32.3 Å²	32.3	8%	0.083	16%	0.155	C	C	.	.	H	α-helix	trans	-58	-51.1	170.6	167	-99.6	0	0	0	111.1	Y538 W539 Y540 F544 T545 H546 R551 L603	Y538-W542 VanDerWaalsContact O-CB 3.28Å; Y538-W542 WeakPolarHBondContact O-CB 3.33Å; Y538-W542 PolarHBondContact O-N 3.32Å; W539-W542 PolarHBondContact O-N 2.84Å; Y540-W542 VanDerWaalsContact C-N 3.33Å; Y540-W542 PolarHBondContact O-N 3.26Å; W542-F544 VanDerWaalsContact C-N 3.3Å; W542-F544 PolarHBondContact O-N 2.92Å; W542-T545 PolarHBondContact O-N 3.35Å; W542-H546 HydrophobicContact CH2-CB 4.25Å; W542-H546 AromaticContact CZ2-CD2 3.71Å; W542-H546 VanDerWaalsContact CZ3-C 3.42Å; W542-H546 HydrophobicContact CZ3-CB 4.33Å; W542-H546 VanDerWaalsContact CZ3-O 3.27Å; W542-H546 WeakPolarHBondContact CZ3-O 3.21Å; W542-H546 VanDerWaalsContact O-CA 3.28Å; W542-H546 WeakPolarHBondContact O-CA 3.29Å; W542-H546 PolarHBondContact O-N 2.91Å; W542-R551 HydrophobicContact CD2-CG 3.94Å; W542-R551 VanDerWaalsContact CE2-NE 3.29Å; W542-R551 HydrophobicContact CE3-CG 3.88Å; W542-R551 HydrophobicContact CG-CG 4.42Å; W542-R551 VanDerWaalsContact CZ2-NH1 3.3Å; W542-R551 HydrophobicContact CZ3-CG 4.27Å; W542-L603 HydrophobicContact CB-CD1 3.51Å; W542-L603 HydrophobicContact CG-CD1 3.75Å
543	R	97.8	Very high	98.6	Very high	16 Å²	16	33.9 Å²	33.9	6%	0.06	16%	0.161	C	C	.	.	H	α-helix	trans	-59.5	-37.9	-179.6	-71.1	-62.8	-173.5	113.6	-4.2	112.8	W539 Y540 H546 G606 D607 L609 L612	W539-R543 WeakPolarHBondContact O-CG 3.46Å; W539-R543 PolarHBondContact O-N 3.46Å; Y540-R543 PolarHBondContact O-N 3.41Å; R543-H546 PolarHBondContact O-CE1 3.07Å; R543-G606 PolarHBondContact NH2-O 3.27Å; R543-D607 VanDerWaalsContact CD-CG 3.41Å; R543-D607 WeakPolarHBondContact CD-OD1 3.29Å; R543-D607 WeakPolarHBondContact CD-OD2 3.4Å; R543-D607 VanDerWaalsContact CZ-CA 3.47Å; R543-D607 IonicContact CZ-OD1 3.16Å; R543-D607 IonicContact NE-OD1 2.64Å; R543-D607 PolarHBondContact NE-OD1 2.94Å; R543-D607 VanDerWaalsContact NH1-C 3.32Å; R543-D607 PolarHBondContact NH1-O 3.34Å; R543-L609 PolarHBondContact NH2-O 3.05Å; R543-L612 HydrophobicContact CB-CD1 3.96Å; R543-L612 HydrophobicContact CG-CD1 4.33Å
544	F	97.4	Very high	98.6	Very high	78 Å²	78	33.1 Å²	33.1	34%	0.342	16%	0.157	S	C	.	.	H	α-helix	trans	-84	-27	-178.6	-68.5	-60.2	0	0	0	114.7	A469 L470 L484 Y540 L541 W542 L612	A469-F544 HydrophobicContact CB-CD2 3.91Å; A469-F544 HydrophobicContact CB-CE2 4.4Å; L470-F544 HydrophobicContact CB-CE2 4.16Å; L470-F544 HydrophobicContact CB-CZ 4.45Å; L470-F544 HydrophobicContact CD1-CE2 4.16Å; L470-F544 HydrophobicContact CD1-CZ 3.74Å; L484-F544 HydrophobicContact CD1-CB 4.1Å; Y540-F544 AromaticContact CD1-CE2 3.94Å; Y540-F544 HydrophobicContact CD1-CE2 3.94Å; Y540-F544 WeakPolarHBondContact O-CD2 3.49Å; Y540-F544 PolarHBondContact O-N 3.19Å; L541-F544 PolarHBondContact O-N 2.94Å; W542-F544 VanDerWaalsContact C-N 3.3Å; W542-F544 PolarHBondContact O-N 2.92Å; F544-L612 HydrophobicContact CE1-CD1 4.19Å; F544-L612 HydrophobicContact CE2-CD1 3.98Å; F544-L612 HydrophobicContact CZ-CD1 3.61Å
545	T	97.8	Very high	98.6	Very high	51 Å²	51	35.9 Å²	35.9	31%	0.313	17%	0.168	S	C	.	.	H	α-helix	trans	-117.7	-22.9	-170.3	69.5	0	0	0	0	114.1	L484 L541 W542 D547 Y550	L484-T545 HydrophobicContact CD1-CG2 3.98Å; L484-T545 HydrophobicContact CD2-CG2 4.2Å; L484-T545 HydrophobicContact CG-CG2 4.28Å; L541-T545 VanDerWaalsContact O-CB 3.31Å; L541-T545 WeakPolarHBondContact O-CB 3.42Å; L541-T545 WeakPolarHBondContact O-CG2 3.19Å; L541-T545 PolarHBondContact O-N 3.4Å; L541-T545 PolarHBondContact O-OG1 2.66Å; W542-T545 PolarHBondContact O-N 3.35Å; T545-D547 PolarHBondContact O-N 3.33Å; T545-D547 VanDerWaalsContact O-N 3.1Å; T545-D547 WeakPolarHBondContact OG1-CB 3.3Å; T545-D547 PolarHBondContact OG1-N 2.79Å; T545-D547 VanDerWaalsContact OG1-N 3.16Å; T545-Y550 WeakPolarHBondContact OG1-CE2 3.25Å
546	H	98.1	Very high	98.6	Very high	96 Å²	96	39.1 Å²	39.1	44%	0.444	18%	0.183	S	C	.	.			trans	51.4	24.8	-168.2	-70.2	69.9	0	0	0	113.5	W542 R543 P548 D607	W542-H546 HydrophobicContact CH2-CB 4.25Å; W542-H546 AromaticContact CZ2-CD2 3.71Å; W542-H546 VanDerWaalsContact CZ3-C 3.42Å; W542-H546 HydrophobicContact CZ3-CB 4.33Å; W542-H546 VanDerWaalsContact CZ3-O 3.27Å; W542-H546 WeakPolarHBondContact CZ3-O 3.21Å; W542-H546 VanDerWaalsContact O-CA 3.28Å; W542-H546 WeakPolarHBondContact O-CA 3.29Å; W542-H546 PolarHBondContact O-N 2.91Å; R543-H546 PolarHBondContact O-CE1 3.07Å; H546-P548 WeakPolarHBondContact O-CD 3.39Å; H546-D607 IonicContact CE1-OD2 3.95Å; H546-D607 PolarHBondContact CE1-OD2 2.89Å; H546-D607 IonicContact NE2-OD1 2.79Å; H546-D607 IonicContact NE2-OD2 3.33Å; H546-D607 PolarHBondContact NE2-OD2 2.04Å
547	D	98.6	Very high	98.6	Very high	42 Å²	42	38.9 Å²	38.9	23%	0.225	18%	0.182	C	C	.	.			trans	-73.2	119.9	177.4	-169.2	-49.5	0	0	0	109.9	T545 R549 Y550	T545-D547 PolarHBondContact O-N 3.33Å; T545-D547 VanDerWaalsContact O-N 3.1Å; T545-D547 WeakPolarHBondContact OG1-CB 3.3Å; T545-D547 PolarHBondContact OG1-N 2.79Å; T545-D547 VanDerWaalsContact OG1-N 3.16Å; D547-R549 HydrophobicContact CB-CG 4.43Å; D547-R549 PolarHBondContact O-N 3.47Å; D547-R549 VanDerWaalsContact OD1-CB 3.28Å; D547-R549 WeakPolarHBondContact OD1-CB 3.33Å; D547-R549 WeakPolarHBondContact OD1-CG 3.32Å; D547-R549 PolarHBondContact OD1-N 3.29Å; D547-R549 IonicContact OD1-NE 2.99Å; D547-R549 PolarHBondContact OD1-NE 3.39Å; D547-R549 VanDerWaalsContact OD1-NE 3.16Å; D547-R549 IonicContact OD2-CZ 2.74Å; D547-R549 IonicContact OD2-NE 3.38Å; D547-R549 PolarHBondContact OD2-NE 2.9Å; D547-R549 IonicContact OD2-NH2 3.3Å; D547-R549 PolarHBondContact OD2-NH2 2.81Å; D547-Y550 HydrophobicContact CB-CD2 3.85Å; D547-Y550 HydrophobicContact CB-CE2 3.73Å; D547-Y550 WeakPolarHBondContact O-CD2 3.37Å; D547-Y550 PolarHBondContact O-N 3.36Å
548	P	98.3	Very high	98.6	Very high	94 Å²	94	39 Å²	39	61%	0.61	18%	0.183	S	C	*	.	H	α-helix	trans	-61.8	-18.6	-174	25.5	-35.3	0	0	0	113.5	H546 Y550 R551 Q552	H546-P548 WeakPolarHBondContact O-CD 3.39Å; P548-Y550 PolarHBondContact O-N 2.71Å; P548-R551 PolarHBondContact O-N 3.04Å; P548-Q552 PolarHBondContact O-N 3.01Å
549	R	98.5	Very high	98.6	Very high	97 Å²	97	43 Å²	43	37%	0.366	20%	0.204	S	C	.	.	H	α-helix	trans	-56.9	-35.7	177.7	81.6	-179.3	99.7	158.2	12.1	112.1	D547 Q552 W553	D547-R549 HydrophobicContact CB-CG 4.43Å; D547-R549 PolarHBondContact O-N 3.47Å; D547-R549 VanDerWaalsContact OD1-CB 3.28Å; D547-R549 WeakPolarHBondContact OD1-CB 3.33Å; D547-R549 WeakPolarHBondContact OD1-CG 3.32Å; D547-R549 PolarHBondContact OD1-N 3.29Å; D547-R549 IonicContact OD1-NE 2.99Å; D547-R549 PolarHBondContact OD1-NE 3.39Å; D547-R549 VanDerWaalsContact OD1-NE 3.16Å; D547-R549 IonicContact OD2-CZ 2.74Å; D547-R549 IonicContact OD2-NE 3.38Å; D547-R549 PolarHBondContact OD2-NE 2.9Å; D547-R549 IonicContact OD2-NH2 3.3Å; D547-R549 PolarHBondContact OD2-NH2 2.81Å; R549-Q552 WeakPolarHBondContact O-CB 3.5Å; R549-Q552 PolarHBondContact O-N 2.98Å; R549-W553 HydrophobicContact CB-CZ2 4.42Å; R549-W553 HydrophobicContact CG-CH2 4.26Å; R549-W553 HydrophobicContact CG-CZ2 4.27Å; R549-W553 HydrophobicContact CG-CZ3 4.37Å; R549-W553 WeakPolarHBondContact O-CB 3.17Å; R549-W553 PolarHBondContact O-N 2.62Å
550	Y	98.8	Very high	98.6	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.008	21%	0.207	C	C	.	.	H	α-helix	trans	-72.4	-36.3	-176.2	-60.6	-59.7	0	0	0	112.1	A488 A491 Y538 L541 T545 D547 P548 W553 G554	A488-Y550 WeakPolarHBondContact CB-OH 3.42Å; A491-Y550 HydrophobicContact CB-CE1 4.14Å; Y538-Y550 HydrophobicContact CD1-CD1 4.1Å; L541-Y550 HydrophobicContact CB-CD1 4.03Å; L541-Y550 HydrophobicContact CB-CD2 3.77Å; L541-Y550 HydrophobicContact CB-CE1 3.85Å; L541-Y550 HydrophobicContact CB-CE2 3.58Å; L541-Y550 HydrophobicContact CB-CG 4Å; L541-Y550 HydrophobicContact CD1-CD1 4.26Å; L541-Y550 HydrophobicContact CD1-CE1 3.57Å; L541-Y550 HydrophobicContact CG-CE1 4.31Å; T545-Y550 WeakPolarHBondContact OG1-CE2 3.25Å; D547-Y550 HydrophobicContact CB-CD2 3.85Å; D547-Y550 HydrophobicContact CB-CE2 3.73Å; D547-Y550 WeakPolarHBondContact O-CD2 3.37Å; D547-Y550 PolarHBondContact O-N 3.36Å; P548-Y550 PolarHBondContact O-N 2.71Å; Y550-W553 AromaticContact CD1-CE3 3.86Å; Y550-W553 HydrophobicContact CD1-CE3 3.86Å; Y550-W553 AromaticContact CD1-CZ3 3.97Å; Y550-W553 HydrophobicContact CD1-CZ3 3.97Å; Y550-W553 HydrophobicContact CE1-CE3 4.13Å; Y550-W553 AromaticContact CE1-CZ3 3.74Å; Y550-W553 HydrophobicContact CE1-CZ3 3.74Å; Y550-G554 PolarHBondContact O-N 3.06Å
551	R	98.7	Very high	98.6	Very high	40 Å²	40	43.1 Å²	43.1	15%	0.151	21%	0.206	C	C	.	.	H	α-helix	trans	-66.6	-38.9	169.6	-82.8	-178.7	167.7	175.3	2.4	111.8	W542 P548 W555 L603 F604 S605	W542-R551 HydrophobicContact CD2-CG 3.94Å; W542-R551 VanDerWaalsContact CE2-NE 3.29Å; W542-R551 HydrophobicContact CE3-CG 3.88Å; W542-R551 HydrophobicContact CG-CG 4.42Å; W542-R551 VanDerWaalsContact CZ2-NH1 3.3Å; W542-R551 HydrophobicContact CZ3-CG 4.27Å; P548-R551 PolarHBondContact O-N 3.04Å; R551-W555 WeakPolarHBondContact O-CB 3.28Å; R551-W555 PolarHBondContact O-N 3.17Å; R551-L603 HydrophobicContact CG-CD1 3.83Å; R551-L603 HydrophobicContact CG-CG 4.02Å; R551-L603 PolarHBondContact NE-O 3.01Å; R551-L603 PolarHBondContact NH2-O 2.9Å; R551-F604 HydrophobicContact CB-CE1 4Å; R551-F604 HydrophobicContact CG-CD1 4.26Å; R551-F604 HydrophobicContact CG-CE1 4.08Å; R551-F604 WeakPolarHBondContact O-CZ 3.35Å; R551-S605 PolarHBondContact NH2-O 3.19Å; R551-S605 VanDerWaalsContact NH2-O 3.09Å
552	Q	98.8	Very high	98.6	Very high	112 Å²	112	45.2 Å²	45.2	52%	0.523	22%	0.216	S	C	.	.	H	α-helix	trans	-61.3	-51.3	175	-176.4	-173.6	-21.1	0	0	111.2	P548 R549 G554 W555 E556	P548-Q552 PolarHBondContact O-N 3.01Å; R549-Q552 WeakPolarHBondContact O-CB 3.5Å; R549-Q552 PolarHBondContact O-N 2.98Å; Q552-G554 PolarHBondContact O-N 2.92Å; Q552-W555 WeakPolarHBondContact O-CB 3.35Å; Q552-W555 PolarHBondContact O-N 3.06Å; Q552-W555 VanDerWaalsContact O-N 3.12Å; Q552-E556 WeakPolarHBondContact CG-OE1 3.41Å; Q552-E556 PolarHBondContact NE2-OE1 3.42Å; Q552-E556 WeakPolarHBondContact O-CG 3.24Å; Q552-E556 PolarHBondContact O-N 3.4Å
553	W	98.9	Very high	98.6	Very high	33 Å²	33	51 Å²	51	13%	0.125	24%	0.242	C	C	.	.	H	α-helix	trans	-64	-39.5	179.6	-63	-14.5	0	0	0	112.7	R492 H495 Y538 R549 Y550 W555 E556 A557	R492-W553 HydrophobicContact CB-CH2 4.49Å; H495-W553 HydrophobicContact CB-CD2 4.15Å; H495-W553 HydrophobicContact CB-CE3 3.99Å; H495-W553 HydrophobicContact CB-CH2 4.45Å; H495-W553 HydrophobicContact CB-CZ3 4.14Å; H495-W553 AromaticContact CD2-CD1 3.53Å; H495-W553 AromaticContact CD2-CD2 3.61Å; H495-W553 AromaticContact CD2-CE2 3.97Å; H495-W553 AromaticContact CD2-CG 3.32Å; H495-W553 AromaticContact CD2-NE1 3.91Å; H495-W553 AromaticContact CE1-CD1 3.72Å; H495-W553 AromaticContact CE1-CE2 3.99Å; H495-W553 AromaticContact CE1-NE1 3.56Å; H495-W553 AromaticContact CG-CD2 3.71Å; H495-W553 AromaticContact CG-CE2 3.82Å; H495-W553 AromaticContact CG-CG 3.94Å; H495-W553 AromaticContact ND1-CE2 3.86Å; H495-W553 AromaticContact ND1-NE1 3.9Å; H495-W553 AromaticContact NE2-CD1 3.21Å; H495-W553 AromaticContact NE2-CG 3.54Å; H495-W553 AromaticContact NE2-NE1 3.56Å; Y538-W553 HydrophobicContact CD1-CE3 4.14Å; Y538-W553 HydrophobicContact CD2-CB 4.04Å; Y538-W553 HydrophobicContact CE1-CB 4.49Å; Y538-W553 AromaticContact CE1-CE3 3.66Å; Y538-W553 HydrophobicContact CE1-CE3 3.66Å; Y538-W553 HydrophobicContact CE1-CZ3 4.32Å; Y538-W553 HydrophobicContact CE2-CB 3.62Å; R549-W553 HydrophobicContact CB-CZ2 4.42Å; R549-W553 HydrophobicContact CG-CH2 4.26Å; R549-W553 HydrophobicContact CG-CZ2 4.27Å; R549-W553 HydrophobicContact CG-CZ3 4.37Å; R549-W553 WeakPolarHBondContact O-CB 3.17Å; R549-W553 PolarHBondContact O-N 2.62Å; Y550-W553 AromaticContact CD1-CE3 3.86Å; Y550-W553 HydrophobicContact CD1-CE3 3.86Å; Y550-W553 AromaticContact CD1-CZ3 3.97Å; Y550-W553 HydrophobicContact CD1-CZ3 3.97Å; Y550-W553 HydrophobicContact CE1-CE3 4.13Å; Y550-W553 AromaticContact CE1-CZ3 3.74Å; Y550-W553 HydrophobicContact CE1-CZ3 3.74Å; W553-W555 VanDerWaalsContact C-N 3.31Å; W553-W555 PolarHBondContact O-N 3.09Å; W553-E556 PolarHBondContact O-N 2.84Å; W553-A557 PolarHBondContact O-N 2.79Å
554	G	98.9	Very high	98.6	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62.2	-37.7	172.1	0	0	0	0	0	112.7	Y550 Q552 A557 A558 L600	Y550-G554 PolarHBondContact O-N 3.06Å; Q552-G554 PolarHBondContact O-N 2.92Å; G554-A557 PolarHBondContact O-N 3.04Å; G554-A558 PolarHBondContact O-N 3.19Å; G554-L600 WeakPolarHBondContact O-CD2 3.45Å
555	W	98.9	Very high	98.7	Very high	58 Å²	58	48.5 Å²	48.5	22%	0.22	23%	0.23	C	C	.	.	H	α-helix	trans	-69.1	-40.5	175.9	-170.8	-122	0	0	0	112.5	K180 K183 I184 R551 Q552 W553 A557 A558 L559 F604	K180-W555 HydrophobicContact CB-CD2 4.5Å; K180-W555 HydrophobicContact CB-CE3 3.91Å; K180-W555 HydrophobicContact CB-CH2 4.16Å; K180-W555 HydrophobicContact CB-CZ3 3.73Å; K180-W555 HydrophobicContact CD-CD2 3.88Å; K180-W555 HydrophobicContact CD-CE3 4.09Å; K180-W555 HydrophobicContact CD-CG 4.13Å; K180-W555 HydrophobicContact CG-CD2 3.77Å; K180-W555 HydrophobicContact CG-CE3 3.67Å; K180-W555 HydrophobicContact CG-CH2 3.78Å; K180-W555 HydrophobicContact CG-CZ2 3.87Å; K180-W555 HydrophobicContact CG-CZ3 3.68Å; K183-W555 HydrophobicContact CB-CH2 3.92Å; K183-W555 HydrophobicContact CB-CZ3 4.26Å; K183-W555 HydrophobicContact CG-CH2 3.86Å; K183-W555 HydrophobicContact CG-CZ3 4.28Å; I184-W555 HydrophobicContact CD1-CZ3 4.37Å; R551-W555 WeakPolarHBondContact O-CB 3.28Å; R551-W555 PolarHBondContact O-N 3.17Å; Q552-W555 WeakPolarHBondContact O-CB 3.35Å; Q552-W555 PolarHBondContact O-N 3.06Å; Q552-W555 VanDerWaalsContact O-N 3.12Å; W553-W555 VanDerWaalsContact C-N 3.31Å; W553-W555 PolarHBondContact O-N 3.09Å; W555-A557 VanDerWaalsContact C-N 3.3Å; W555-A557 PolarHBondContact O-N 2.77Å; W555-A558 HydrophobicContact CE3-CB 4.07Å; W555-A558 HydrophobicContact CZ3-CB 4.37Å; W555-A558 PolarHBondContact O-N 3.37Å; W555-L559 HydrophobicContact CD2-CG 4.37Å; W555-L559 HydrophobicContact CH2-CD2 4.48Å; W555-L559 HydrophobicContact CZ2-CD2 3.89Å; W555-L559 HydrophobicContact CZ2-CG 4.3Å; W555-L559 WeakPolarHBondContact O-CG 3.47Å; W555-L559 PolarHBondContact O-N 2.85Å; W555-F604 HydrophobicContact CB-CE1 4.48Å; W555-F604 HydrophobicContact CB-CZ 3.87Å; W555-F604 HydrophobicContact CE3-CE2 4.13Å; W555-F604 HydrophobicContact CE3-CZ 4.08Å
556	E	98.9	Very high	98.7	Very high	68 Å²	68	49.1 Å²	49.1	32%	0.318	23%	0.227	S	C	.	.	H	α-helix	trans	-56.4	-45.4	172.4	-71.7	166.5	-170.8	0	0	111.1	H495 Q552 W553 L559 A560	H495-E556 IonicContact CE1-OE2 3.91Å; H495-E556 IonicContact NE2-OE2 2.66Å; H495-E556 PolarHBondContact NE2-OE2 2.92Å; Q552-E556 WeakPolarHBondContact CG-OE1 3.41Å; Q552-E556 PolarHBondContact NE2-OE1 3.42Å; Q552-E556 WeakPolarHBondContact O-CG 3.24Å; Q552-E556 PolarHBondContact O-N 3.4Å; W553-E556 PolarHBondContact O-N 2.84Å; E556-L559 PolarHBondContact O-N 3.39Å; E556-A560 WeakPolarHBondContact O-CB 3.49Å; E556-A560 PolarHBondContact O-N 3.36Å
557	A	98.9	Very high	98.8	Very high	2 Å²	2	45.7 Å²	45.7	2%	0.017	21%	0.213	C	C	.	.	H	α-helix	trans	-64.4	-44.7	175.9	0	0	0	0	0	112.3	Y498 I535 W553 G554 W555 L559 A560 I561	Y498-A557 HydrophobicContact CD1-CB 4.47Å; Y498-A557 HydrophobicContact CE1-CB 4.25Å; I535-A557 HydrophobicContact CD1-CB 4.22Å; I535-A557 HydrophobicContact CG1-CB 4.33Å; W553-A557 PolarHBondContact O-N 2.79Å; G554-A557 PolarHBondContact O-N 3.04Å; W555-A557 VanDerWaalsContact C-N 3.3Å; W555-A557 PolarHBondContact O-N 2.77Å; A557-L559 VanDerWaalsContact C-N 3.34Å; A557-L559 PolarHBondContact O-N 2.63Å; A557-A560 WeakPolarHBondContact O-CB 3.03Å; A557-A560 PolarHBondContact O-N 2.92Å; A557-A560 VanDerWaalsContact O-N 3.16Å; A557-I561 VanDerWaalsContact O-CG1 3.3Å; A557-I561 WeakPolarHBondContact O-CG1 3.49Å; A557-I561 PolarHBondContact O-N 3.08Å
558	A	98.9	Very high	98.7	Very high	2 Å²	2	47.7 Å²	47.7	2%	0.017	23%	0.23	C	C	.	.	H	α-helix	trans	-59.1	-43.6	177.4	0	0	0	0	0	112.1	I184 G554 W555 I561 E562 L600	I184-A558 HydrophobicContact CD1-CB 3.8Å; G554-A558 PolarHBondContact O-N 3.19Å; W555-A558 HydrophobicContact CE3-CB 4.07Å; W555-A558 HydrophobicContact CZ3-CB 4.37Å; W555-A558 PolarHBondContact O-N 3.37Å; A558-I561 PolarHBondContact O-N 2.95Å; A558-E562 WeakPolarHBondContact O-CB 3.45Å; A558-E562 PolarHBondContact O-N 3.43Å; A558-L600 HydrophobicContact CB-CD1 4.08Å; A558-L600 HydrophobicContact CB-CD2 4.2Å
559	L	98.9	Very high	98.7	Very high	86 Å²	86	43.2 Å²	43.2	45%	0.45	20%	0.201	S	C	.	.	H	α-helix	trans	-65.3	-37.8	175.6	-69.5	177.4	0	0	0	112.4	W555 E556 A557 K563	W555-L559 HydrophobicContact CD2-CG 4.37Å; W555-L559 HydrophobicContact CH2-CD2 4.48Å; W555-L559 HydrophobicContact CZ2-CD2 3.89Å; W555-L559 HydrophobicContact CZ2-CG 4.3Å; W555-L559 WeakPolarHBondContact O-CG 3.47Å; W555-L559 PolarHBondContact O-N 2.85Å; E556-L559 PolarHBondContact O-N 3.39Å; A557-L559 VanDerWaalsContact C-N 3.34Å; A557-L559 PolarHBondContact O-N 2.63Å; L559-K563 VanDerWaalsContact O-CB 3.25Å; L559-K563 WeakPolarHBondContact O-CB 3.45Å; L559-K563 PolarHBondContact O-N 3.4Å
560	A	98.8	Very high	98.7	Very high	7 Å²	7	38.6 Å²	38.6	6%	0.058	18%	0.184	C	C	.	.	H	α-helix	trans	-65.9	-44.7	176	0	0	0	0	0	112	L503 K504 L505 E556 A557 K563 Y564	L503-A560 WeakPolarHBondContact O-CB 3.45Å; K504-A560 HydrophobicContact CB-CB 4.08Å; L505-A560 HydrophobicContact CD2-CB 3.8Å; L505-A560 HydrophobicContact CG-CB 3.98Å; E556-A560 WeakPolarHBondContact O-CB 3.49Å; E556-A560 PolarHBondContact O-N 3.36Å; A557-A560 WeakPolarHBondContact O-CB 3.03Å; A557-A560 PolarHBondContact O-N 2.92Å; A557-A560 VanDerWaalsContact O-N 3.16Å; A560-K563 PolarHBondContact O-N 3.47Å; A560-Y564 HydrophobicContact CB-CD2 4.48Å; A560-Y564 WeakPolarHBondContact O-CB 3.37Å; A560-Y564 WeakPolarHBondContact O-CD2 3.32Å; A560-Y564 PolarHBondContact O-N 3.18Å
561	I	98.9	Very high	98.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-59.9	-49.1	174.1	-67.7	168	0	0	0	110	M187 L505 Y528 I535 A557 A558 K563 Y564 C565 R566 F571 F592 T596	M187-I561 HydrophobicContact CE-CB 4.28Å; M187-I561 HydrophobicContact CE-CG2 3.8Å; L505-I561 HydrophobicContact CD2-CG1 3.8Å; Y528-I561 HydrophobicContact CE1-CG1 4.4Å; I535-I561 HydrophobicContact CD1-CD1 4.27Å; A557-I561 VanDerWaalsContact O-CG1 3.3Å; A557-I561 WeakPolarHBondContact O-CG1 3.49Å; A557-I561 PolarHBondContact O-N 3.08Å; A558-I561 PolarHBondContact O-N 2.95Å; I561-K563 VanDerWaalsContact C-N 3.28Å; I561-K563 PolarHBondContact O-N 3.48Å; I561-Y564 PolarHBondContact O-N 3.21Å; I561-C565 HydrophobicContact CG2-CB 4.13Å; I561-C565 WeakPolarHBondContact O-CA 3.46Å; I561-C565 VanDerWaalsContact O-CB 3.24Å; I561-C565 WeakPolarHBondContact O-CB 3.35Å; I561-C565 PolarHBondContact O-N 2.99Å; I561-R566 PolarHBondContact O-N 3.37Å; I561-F571 HydrophobicContact CG2-CD1 3.86Å; I561-F571 HydrophobicContact CG2-CE1 3.88Å; I561-F592 HydrophobicContact CD1-CE2 4.47Å; I561-F592 HydrophobicContact CG2-CE2 3.82Å; I561-F592 HydrophobicContact CG2-CZ 3.85Å; I561-T596 HydrophobicContact CD1-CG2 3.97Å
562	E	98.8	Very high	98.8	Very high	43 Å²	43	36.6 Å²	36.6	20%	0.201	18%	0.176	C	C	.	.	H	α-helix	trans	-58.2	-41.1	178.4	-179.7	66.7	179.8	0	0	111.9	K183 A558 R566	K183-E562 VanDerWaalsContact NZ-CD 3.3Å; K183-E562 IonicContact NZ-OE1 2.57Å; K183-E562 PolarHBondContact NZ-OE1 3.27Å; K183-E562 IonicContact NZ-OE2 3.35Å; A558-E562 WeakPolarHBondContact O-CB 3.45Å; A558-E562 PolarHBondContact O-N 3.43Å; E562-R566 VanDerWaalsContact CD-CD 3.48Å; E562-R566 WeakPolarHBondContact O-CB 3.24Å; E562-R566 WeakPolarHBondContact OE1-CD 3.44Å; E562-R566 IonicContact OE1-CZ 3.58Å; E562-R566 IonicContact OE1-NE 3.35Å; E562-R566 IonicContact OE1-NH1 2.69Å; E562-R566 PolarHBondContact OE1-NH1 3.45Å; E562-R566 VanDerWaalsContact OE2-CD 3.28Å; E562-R566 WeakPolarHBondContact OE2-CD 3.45Å; E562-R566 IonicContact OE2-NH1 3.92Å; E562-R566 PolarHBondContact OE2-NH1 2.8Å; E562-R566 VanDerWaalsContact OE2-NH1 3.15Å
563	K	98.6	Very high	98.7	Very high	145 Å²	145	31.3 Å²	31.3	63%	0.63	15%	0.151	S	C	*	.	H	α-helix	trans	-76.5	-40.2	-177.1	-174.4	177.3	177.3	-167.3	0	113.6	L559 A560 I561	L559-K563 VanDerWaalsContact O-CB 3.25Å; L559-K563 WeakPolarHBondContact O-CB 3.45Å; L559-K563 PolarHBondContact O-N 3.4Å; A560-K563 PolarHBondContact O-N 3.47Å; I561-K563 VanDerWaalsContact C-N 3.28Å; I561-K563 PolarHBondContact O-N 3.48Å
564	Y	98.7	Very high	98.7	Very high	41 Å²	41	29.8 Å²	29.8	16%	0.161	15%	0.145	C	C	.	.	H	α-helix	trans	-115	-16.3	-166	-58.5	-61	0	0	0	114.8	L503 A560 I561 P582 H584	L503-Y564 HydrophobicContact CB-CD2 3.88Å; L503-Y564 HydrophobicContact CB-CE2 4.16Å; L503-Y564 HydrophobicContact CB-CG 4.3Å; L503-Y564 HydrophobicContact CD2-CD1 3.68Å; L503-Y564 HydrophobicContact CD2-CD2 4.01Å; L503-Y564 HydrophobicContact CD2-CE1 3.73Å; L503-Y564 HydrophobicContact CD2-CE2 4.06Å; L503-Y564 HydrophobicContact CD2-CG 3.81Å; L503-Y564 HydrophobicContact CG-CD2 4.46Å; L503-Y564 HydrophobicContact CG-CG 4.44Å; L503-Y564 WeakPolarHBondContact O-CD2 3.48Å; L503-Y564 WeakPolarHBondContact O-CE2 3.42Å; A560-Y564 HydrophobicContact CB-CD2 4.48Å; A560-Y564 WeakPolarHBondContact O-CB 3.37Å; A560-Y564 WeakPolarHBondContact O-CD2 3.32Å; A560-Y564 PolarHBondContact O-N 3.18Å; I561-Y564 PolarHBondContact O-N 3.21Å; Y564-P582 HydrophobicContact CD1-CG 4.41Å; Y564-H584 PolarHBondContact O-CE1 2.9Å
565	C	98.8	Very high	98.7	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-26.1	178.9	-66.2	0	0	0	0	112.7	L530 I561 V567 F571 S572	L530-C565 HydrophobicContact CD2-CB 3.66Å; I561-C565 HydrophobicContact CG2-CB 4.13Å; I561-C565 WeakPolarHBondContact O-CA 3.46Å; I561-C565 VanDerWaalsContact O-CB 3.24Å; I561-C565 WeakPolarHBondContact O-CB 3.35Å; I561-C565 PolarHBondContact O-N 2.99Å; C565-V567 PolarHBondContact O-N 2.66Å; C565-F571 HydrophobicContact CB-CD1 4.16Å; C565-F571 CarbonylContact O-C 3.57Å; C565-F571 WeakPolarHBondContact O-CA 3.39Å; C565-S572 WeakPolarHBondContact CA-O 3.38Å; C565-S572 WeakPolarHBondContact CB-O 3.37Å; C565-S572 PolarHBondContact O-N 3.12Å
566	R	98.8	Very high	98.7	Very high	63 Å²	63	33.5 Å²	33.5	24%	0.238	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	128	177.3	-167.3	167	-178.1	151.5	1.8	110.9	E186 H190 I561 E562 F571	E186-R566 IonicContact OE1-CZ 3.8Å; E186-R566 IonicContact OE1-NH1 3.91Å; E186-R566 PolarHBondContact OE1-NH1 3.26Å; E186-R566 IonicContact OE1-NH2 3.52Å; E186-R566 PolarHBondContact OE1-NH2 3.29Å; E186-R566 IonicContact OE2-CZ 3.38Å; E186-R566 IonicContact OE2-NH1 3.24Å; E186-R566 PolarHBondContact OE2-NH1 3.36Å; E186-R566 IonicContact OE2-NH2 3.16Å; H190-R566 PolarHBondContact ND1-NH2 3.45Å; I561-R566 PolarHBondContact O-N 3.37Å; E562-R566 VanDerWaalsContact CD-CD 3.48Å; E562-R566 WeakPolarHBondContact O-CB 3.24Å; E562-R566 WeakPolarHBondContact OE1-CD 3.44Å; E562-R566 IonicContact OE1-CZ 3.58Å; E562-R566 IonicContact OE1-NE 3.35Å; E562-R566 IonicContact OE1-NH1 2.69Å; E562-R566 PolarHBondContact OE1-NH1 3.45Å; E562-R566 VanDerWaalsContact OE2-CD 3.28Å; E562-R566 WeakPolarHBondContact OE2-CD 3.45Å; E562-R566 IonicContact OE2-NH1 3.92Å; E562-R566 PolarHBondContact OE2-NH1 2.8Å; E562-R566 VanDerWaalsContact OE2-NH1 3.15Å; R566-F571 HydrophobicContact CB-CD1 3.97Å; R566-F571 HydrophobicContact CB-CE1 3.56Å; R566-F571 HydrophobicContact CB-CZ 4.1Å; R566-F571 HydrophobicContact CG-CD1 4.5Å; R566-F571 HydrophobicContact CG-CE1 3.96Å; R566-F571 HydrophobicContact CG-CZ 3.96Å
567	V	98.6	Very high	98.7	Very high	25 Å²	25	30.3 Å²	30.3	15%	0.152	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	168.4	172.2	-62.5	0	0	0	0	109.7	H190 P207 I208 C565 G569 G570	H190-V567 PolarHBondContact CE1-O 3.37Å; H190-V567 PolarHBondContact NE2-O 2.98Å; P207-V567 HydrophobicContact CB-CG2 3.62Å; P207-V567 HydrophobicContact CG-CG2 3.93Å; I208-V567 HydrophobicContact CG1-CG1 4.37Å; I208-V567 HydrophobicContact CG1-CG2 4.34Å; C565-V567 PolarHBondContact O-N 2.66Å; V567-G569 PolarHBondContact O-N 3.11Å; V567-G569 VanDerWaalsContact O-N 3.09Å; V567-G570 CarbonylContact C-O 3.53Å; V567-G570 WeakPolarHBondContact CG2-O 3.47Å; V567-G570 PolarHBondContact N-O 2.73Å; V567-G570 PolarHBondContact O-N 3.18Å
568	S	98.2	Very high	98.6	Very high	84 Å²	84	33.1 Å²	33.1	59%	0.587	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-27.7	-177.4	65.5	0	0	0	0	114.2	N194 R210	N194-S568 PolarHBondContact OD1-O 3.41Å; R210-S568 PolarHBondContact NH2-OG 3.31Å
569	G	98.4	Very high	98.5	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	21.3	-178.3	0	0	0	0	0	115	N194 L205 P207 V567	N194-G569 VanDerWaalsContact CB-C 3.49Å; N194-G569 VanDerWaalsContact CB-O 3.29Å; N194-G569 WeakPolarHBondContact CB-O 3.37Å; N194-G569 VanDerWaalsContact OD1-CA 3.31Å; N194-G569 WeakPolarHBondContact OD1-CA 3.17Å; L205-G569 VanDerWaalsContact CD2-O 3.26Å; L205-G569 WeakPolarHBondContact CD2-O 3.44Å; P207-G569 VanDerWaalsContact CA-O 3.32Å; P207-G569 WeakPolarHBondContact CA-O 3.35Å; P207-G569 WeakPolarHBondContact CB-O 3.21Å; P207-G569 VanDerWaalsContact O-CA 3.27Å; P207-G569 WeakPolarHBondContact O-CA 3.31Å; V567-G569 PolarHBondContact O-N 3.11Å; V567-G569 VanDerWaalsContact O-N 3.09Å
570	G	98.7	Very high	98.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	132.3	-142.9	-179.7	0	0	0	0	0	112.8	H190 V567	H190-G570 PolarHBondContact NE2-O 3.31Å; V567-G570 CarbonylContact C-O 3.53Å; V567-G570 WeakPolarHBondContact CG2-O 3.47Å; V567-G570 PolarHBondContact N-O 2.73Å; V567-G570 PolarHBondContact O-N 3.18Å
571	F	98.9	Very high	98	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	137.8	174.3	-72.2	-96.6	0	0	0	111.2	M187 H190 A191 P207 L530 I561 C565 R566 Q588 F592	M187-F571 HydrophobicContact CB-CE2 4.32Å; M187-F571 HydrophobicContact CB-CZ 4.02Å; M187-F571 HydrophobicContact CE-CE1 4.08Å; M187-F571 HydrophobicContact CE-CZ 4.09Å; M187-F571 HydrophobicContact CG-CZ 4.09Å; H190-F571 HydrophobicContact CB-CE2 4.39Å; H190-F571 AromaticContact CD2-CD2 3.95Å; H190-F571 AromaticContact CD2-CE2 3.54Å; A191-F571 HydrophobicContact CB-CD2 4Å; A191-F571 HydrophobicContact CB-CE2 4.32Å; P207-F571 WeakPolarHBondContact CG-O 3.36Å; L530-F571 HydrophobicContact CD1-CB 4.05Å; I561-F571 HydrophobicContact CG2-CD1 3.86Å; I561-F571 HydrophobicContact CG2-CE1 3.88Å; C565-F571 HydrophobicContact CB-CD1 4.16Å; C565-F571 CarbonylContact O-C 3.57Å; C565-F571 WeakPolarHBondContact O-CA 3.39Å; R566-F571 HydrophobicContact CB-CD1 3.97Å; R566-F571 HydrophobicContact CB-CE1 3.56Å; R566-F571 HydrophobicContact CB-CZ 4.1Å; R566-F571 HydrophobicContact CG-CD1 4.5Å; R566-F571 HydrophobicContact CG-CE1 3.96Å; R566-F571 HydrophobicContact CG-CZ 3.96Å; F571-Q588 VanDerWaalsContact O-CA 3.3Å; F571-Q588 WeakPolarHBondContact O-CA 3.42Å; F571-Q588 WeakPolarHBondContact O-CB 3.24Å; F571-Q588 WeakPolarHBondContact O-CG 3.36Å; F571-F592 HydrophobicContact CB-CD1 4.15Å; F571-F592 HydrophobicContact CB-CE1 3.7Å; F571-F592 HydrophobicContact CB-CZ 4.14Å; F571-F592 HydrophobicContact CD1-CE1 4.09Å; F571-F592 AromaticContact CD1-CZ 3.86Å; F571-F592 HydrophobicContact CD1-CZ 3.86Å; F571-F592 HydrophobicContact CD2-CD1 4.43Å; F571-F592 AromaticContact CD2-CE1 3.45Å; F571-F592 HydrophobicContact CD2-CE1 3.45Å; F571-F592 VanDerWaalsContact CD2-CE1 3.45Å; F571-F592 HydrophobicContact CD2-CZ 4.01Å; F571-F592 HydrophobicContact CE1-CZ 4.23Å; F571-F592 HydrophobicContact CE2-CE1 4.03Å; F571-F592 HydrophobicContact CE2-CZ 4.35Å; F571-F592 HydrophobicContact CG-CD1 4.39Å; F571-F592 AromaticContact CG-CE1 3.48Å; F571-F592 HydrophobicContact CG-CE1 3.48Å; F571-F592 VanDerWaalsContact CG-CE1 3.48Å; F571-F592 AromaticContact CG-CZ 3.74Å; F571-F592 HydrophobicContact CG-CZ 3.74Å; F571-F592 HydrophobicContact CZ-CZ 4.47Å
572	S	98.8	Very high	97.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.222	C	C	.	.			trans	-124	144.6	178.6	-168.7	0	0	0	0	111.2	C565 D585 D586 V587	C565-S572 WeakPolarHBondContact CA-O 3.38Å; C565-S572 WeakPolarHBondContact CB-O 3.37Å; C565-S572 PolarHBondContact O-N 3.12Å; S572-D585 PolarHBondContact OG-OD1 3.3Å; S572-D586 VanDerWaalsContact OG-CA 3.29Å; S572-D586 WeakPolarHBondContact OG-CA 3.48Å; S572-D586 PolarHBondContact OG-N 3.12Å; S572-V587 PolarHBondContact OG-N 3.09Å
573	G	98.6	Very high	97.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.235	C	C	.	.			trans	-59.4	165.5	164.1	0	0	0	0	0	112.6	Y528 H584 D585 V587	Y528-G573 CarbonylContact O-C 3.58Å; Y528-G573 WeakPolarHBondContact O-CA 3.44Å; G573-H584 VanDerWaalsContact O-CA 3.25Å; G573-H584 WeakPolarHBondContact O-CA 3.48Å; G573-H584 PolarHBondContact O-ND1 3.12Å; G573-D585 VanDerWaalsContact CA-OD1 3.3Å; G573-D585 WeakPolarHBondContact CA-OD1 3.28Å; G573-D585 PolarHBondContact N-OD1 3.21Å; G573-D585 PolarHBondContact O-N 2.94Å; G573-V587 PolarHBondContact N-O 2.91Å
574	V	98.5	Very high	97.6	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-124.7	140	-179.4	-64.7	0	0	0	0	110.2	L503 Y527 Y528 V577 P582 T583	L503-V574 HydrophobicContact CD1-CB 4.38Å; L503-V574 HydrophobicContact CD1-CG1 4.47Å; L503-V574 HydrophobicContact CD1-CG2 4.04Å; Y527-V574 CarbonylContact C-O 3.55Å; Y527-V574 WeakPolarHBondContact CA-O 3.28Å; Y527-V574 WeakPolarHBondContact CB-O 3.33Å; Y528-V574 HydrophobicContact CD1-CG2 4.43Å; Y528-V574 PolarHBondContact N-O 3.46Å; Y528-V574 PolarHBondContact O-N 2.69Å; V574-V577 HydrophobicContact CG2-CG1 3.92Å; V574-P582 HydrophobicContact CB-CB 4.47Å; V574-P582 HydrophobicContact CG1-CB 3.73Å; V574-T583 CarbonylContact C-O 3.6Å; V574-T583 WeakPolarHBondContact CA-O 3.37Å
575	K	98.4	Very high	97.6	Very high	111 Å²	111	38.2 Å²	38.2	48%	0.483	22%	0.216	S	C	.	.	S	Bend	trans	-83.6	-20.8	-173.7	-65.4	-178.8	-177	164.7	0	114.4	T583 H584 D585	K575-T583 HydrophobicContact CD-CG2 4.02Å; K575-T583 PolarHBondContact N-O 2.86Å; K575-H584 VanDerWaalsContact CE-O 3.24Å; K575-H584 WeakPolarHBondContact CE-O 3.12Å; K575-H584 PolarHBondContact NZ-O 3.28Å; K575-D585 HydrophobicContact CG-CB 4.44Å
576	D	98.4	Very high	97.6	Very high	26 Å²	26	39.4 Å²	39.4	14%	0.139	22%	0.222	C	C	.	.			trans	-149.3	106	179.7	-165.8	-27	0	0	0	110.8	Q523 K526 Y578 S579	Q523-D576 PolarHBondContact NE2-OD2 3.35Å; K526-D576 WeakPolarHBondContact CD-OD1 3.39Å; K526-D576 WeakPolarHBondContact CD-OD2 3.49Å; K526-D576 IonicContact NZ-OD2 3.72Å; K526-D576 WeakPolarHBondContact O-CA 3.28Å; D576-Y578 PolarHBondContact O-N 2.97Å; D576-Y578 WeakPolarHBondContact OD1-CB 3.31Å; D576-Y578 PolarHBondContact OD1-N 3.43Å; D576-S579 PolarHBondContact O-N 3.39Å
577	V	98.6	Very high	97.6	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-8.4	179.2	-60.7	0	0	0	0	114.3	T501 A502 L503 L505 P507 K526 V574	T501-V577 WeakPolarHBondContact CB-O 3.36Å; T501-V577 HydrophobicContact CG2-CB 4.25Å; T501-V577 HydrophobicContact CG2-CG2 3.6Å; A502-V577 PolarHBondContact N-O 3.25Å; A502-V577 VanDerWaalsContact N-O 3.12Å; L503-V577 WeakPolarHBondContact CG-O 3.12Å; L503-V577 PolarHBondContact N-O 3.05Å; L503-V577 VanDerWaalsContact N-O 3.11Å; L505-V577 HydrophobicContact CB-CG1 4.14Å; L505-V577 VanDerWaalsContact O-CB 3.28Å; L505-V577 WeakPolarHBondContact O-CB 3.42Å; L505-V577 WeakPolarHBondContact O-CG1 2.96Å; L505-V577 WeakPolarHBondContact O-CG2 3.2Å; P507-V577 HydrophobicContact CB-CG2 3.95Å; K526-V577 WeakPolarHBondContact O-CG2 3.13Å; K526-V577 PolarHBondContact O-N 3.09Å; V574-V577 HydrophobicContact CG2-CG1 3.92Å
578	Y	98.2	Very high	97.6	Very high	61 Å²	61	35.8 Å²	35.8	24%	0.239	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-8.8	177	-59.2	-83.6	0	0	0	112.8	T501 A502 P507 V519 A520 K526 D576	T501-Y578 HydrophobicContact CG2-CD1 4.4Å; T501-Y578 HydrophobicContact CG2-CE1 3.79Å; A502-Y578 WeakPolarHBondContact CB-O 3.33Å; P507-Y578 HydrophobicContact CB-CE2 4.38Å; V519-Y578 VanDerWaalsContact CA-OH 3.23Å; V519-Y578 WeakPolarHBondContact CA-OH 3.24Å; V519-Y578 HydrophobicContact CB-CE1 4.24Å; V519-Y578 WeakPolarHBondContact CB-OH 3.49Å; V519-Y578 HydrophobicContact CG1-CE1 4.11Å; A520-Y578 HydrophobicContact CB-CE2 3.91Å; A520-Y578 PolarHBondContact N-OH 2.88Å; K526-Y578 HydrophobicContact CB-CD2 4.2Å; K526-Y578 HydrophobicContact CB-CE2 4.38Å; K526-Y578 HydrophobicContact CD-CD2 3.88Å; K526-Y578 HydrophobicContact CD-CE2 4.43Å; K526-Y578 HydrophobicContact CG-CD2 3.9Å; K526-Y578 HydrophobicContact CG-CE2 4Å; D576-Y578 PolarHBondContact O-N 2.97Å; D576-Y578 WeakPolarHBondContact OD1-CB 3.31Å; D576-Y578 PolarHBondContact OD1-N 3.43Å
579	S	96.4	Very high	97.6	Very high	43 Å²	43	33.4 Å²	33.4	30%	0.301	19%	0.187	S	C	.	.			trans	-84.6	128.2	173.2	178.6	0	0	0	0	110.4	L503 D576 T581	L503-S579 WeakPolarHBondContact CD2-O 3.49Å; D576-S579 PolarHBondContact O-N 3.39Å; S579-T581 PolarHBondContact O-N 3.18Å; S579-T581 PolarHBondContact OG-N 3.47Å; S579-T581 PolarHBondContact OG-O 2.74Å
580	S	92.7	Very high	97.6	Very high	97 Å²	97	33.4 Å²	33.4	68%	0.678	19%	0.187	S	C	*	.	S	Bend	trans	-66.2	-16.8	174.1	58	0	0	0	0	113.5
581	T	93.4	Very high	97.6	Very high	101 Å²	101	33.9 Å²	33.9	62%	0.62	19%	0.189	S	C	*	.	S	Bend	trans	-110.5	107.7	173	-53	0	0	0	0	108.6	S579 T583	S579-T581 PolarHBondContact O-N 3.18Å; S579-T581 PolarHBondContact OG-N 3.47Å; S579-T581 PolarHBondContact OG-O 2.74Å; T581-T583 PolarHBondContact O-N 2.8Å
582	P	92.8	Very high	97.6	Very high	35 Å²	35	33.9 Å²	33.9	23%	0.227	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-67.6	133	-175.8	26.1	-32.9	0	0	0	110.8	L503 Y564 V574	L503-P582 HydrophobicContact CD1-CB 4.12Å; Y564-P582 HydrophobicContact CD1-CG 4.41Å; V574-P582 HydrophobicContact CB-CB 4.47Å; V574-P582 HydrophobicContact CG1-CB 3.73Å
583	T	97.6	Very high	97.6	Very high	79 Å²	79	33.9 Å²	33.9	49%	0.485	19%	0.189	S	C	.	.	P	Polyproline II helix	trans	-102.3	118.8	165.7	-59.1	0	0	0	0	108.2	V574 K575 T581	V574-T583 CarbonylContact C-O 3.6Å; V574-T583 WeakPolarHBondContact CA-O 3.37Å; K575-T583 HydrophobicContact CD-CG2 4.02Å; K575-T583 PolarHBondContact N-O 2.86Å; T581-T583 PolarHBondContact O-N 2.8Å
584	H	98.4	Very high	97.6	Very high	44 Å²	44	33.9 Å²	33.9	20%	0.204	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-81.2	151.7	-175	-66.3	-72.6	0	0	0	113.7	I208 Y564 G573 K575	I208-H584 HydrophobicContact CD1-CB 3.25Å; Y564-H584 PolarHBondContact O-CE1 2.9Å; G573-H584 VanDerWaalsContact O-CA 3.25Å; G573-H584 WeakPolarHBondContact O-CA 3.48Å; G573-H584 PolarHBondContact O-ND1 3.12Å; K575-H584 VanDerWaalsContact CE-O 3.24Å; K575-H584 WeakPolarHBondContact CE-O 3.12Å; K575-H584 PolarHBondContact NZ-O 3.28Å
585	D	98.2	Very high	97.6	Very high	33 Å²	33	34.2 Å²	34.2	18%	0.176	19%	0.19	C	C	.	.			trans	-86.7	-11.3	172.7	68.7	-3.5	0	0	0	114.3	S572 G573 K575 V587	S572-D585 PolarHBondContact OG-OD1 3.3Å; G573-D585 VanDerWaalsContact CA-OD1 3.3Å; G573-D585 WeakPolarHBondContact CA-OD1 3.28Å; G573-D585 PolarHBondContact N-OD1 3.21Å; G573-D585 PolarHBondContact O-N 2.94Å; K575-D585 HydrophobicContact CG-CB 4.44Å; D585-V587 PolarHBondContact OD1-N 3.04Å
586	D	98.6	Very high	97.7	Very high	25 Å²	25	29 Å²	29	13%	0.134	17%	0.167	C	C	.	.			trans	58.9	43	-176.8	-176.8	43.5	0	0	0	112.6	R206 I208 A209 S572	R206-D586 VanDerWaalsContact C-OD1 3.22Å; R206-D586 WeakPolarHBondContact CA-O 3.38Å; R206-D586 WeakPolarHBondContact CB-O 3.31Å; R206-D586 WeakPolarHBondContact CB-OD1 3.36Å; R206-D586 WeakPolarHBondContact CG-O 3.43Å; R206-D586 IonicContact NH1-OD2 3.47Å; R206-D586 PolarHBondContact NH1-OD2 2.9Å; I208-D586 WeakPolarHBondContact CA-OD1 3.44Å; I208-D586 HydrophobicContact CB-CB 4.26Å; I208-D586 WeakPolarHBondContact CB-OD1 3.41Å; I208-D586 HydrophobicContact CD1-CB 4.33Å; I208-D586 PolarHBondContact N-OD1 2.79Å; A209-D586 WeakPolarHBondContact CB-OD2 3.33Å; A209-D586 PolarHBondContact N-OD1 2.81Å; S572-D586 VanDerWaalsContact OG-CA 3.29Å; S572-D586 WeakPolarHBondContact OG-CA 3.48Å; S572-D586 PolarHBondContact OG-N 3.12Å
587	V	98.6	Very high	97.7	Very high	11 Å²	11	27.7 Å²	27.7	7%	0.067	16%	0.161	C	C	.	.			trans	-136.5	126.4	171.5	-173.4	0	0	0	0	111	S572 G573 D585 Q589	S572-V587 PolarHBondContact OG-N 3.09Å; G573-V587 PolarHBondContact N-O 2.91Å; D585-V587 PolarHBondContact OD1-N 3.04Å; V587-Q589 HydrophobicContact CG1-CG 4.27Å
588	Q	98.8	Very high	97.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-96.4	101.6	163.1	-172.6	173.7	-78.3	0	0	107.3	A191 L205 F571 L593	A191-Q588 PolarHBondContact O-NE2 2.87Å; A191-Q588 VanDerWaalsContact O-NE2 3.13Å; L205-Q588 HydrophobicContact CB-CB 4.08Å; L205-Q588 HydrophobicContact CD2-CB 4.46Å; L205-Q588 HydrophobicContact CG-CB 4.5Å; L205-Q588 PolarHBondContact O-N 3.04Å; F571-Q588 VanDerWaalsContact O-CA 3.3Å; F571-Q588 WeakPolarHBondContact O-CA 3.42Å; F571-Q588 WeakPolarHBondContact O-CB 3.24Å; F571-Q588 WeakPolarHBondContact O-CG 3.36Å; Q588-L593 HydrophobicContact CG-CD1 4.15Å
589	Q	98.4	Very high	97.7	Very high	35 Å²	35	24.9 Å²	24.9	16%	0.164	15%	0.15	C	C	.	.			trans	-66.8	141.2	179.8	-58.3	-76.5	-20.5	0	0	109.9	E204 I529 V587 F591 F592	E204-Q589 WeakPolarHBondContact OE1-CA 2.98Å; E204-Q589 PolarHBondContact OE1-OE1 2.88Å; I529-Q589 WeakPolarHBondContact O-CG 3.49Å; V587-Q589 HydrophobicContact CG1-CG 4.27Å; Q589-F591 VanDerWaalsContact C-N 3.3Å; Q589-F591 HydrophobicContact CB-CD1 3.81Å; Q589-F591 HydrophobicContact CB-CD2 3.86Å; Q589-F591 HydrophobicContact CB-CE1 3.47Å; Q589-F591 VanDerWaalsContact CB-CE1 3.47Å; Q589-F591 HydrophobicContact CB-CE2 3.5Å; Q589-F591 VanDerWaalsContact CB-CE2 3.5Å; Q589-F591 HydrophobicContact CB-CG 4Å; Q589-F591 HydrophobicContact CB-CZ 3.31Å; Q589-F591 HydrophobicContact CG-CE1 3.74Å; Q589-F591 HydrophobicContact CG-CE2 3.86Å; Q589-F591 HydrophobicContact CG-CZ 3.34Å; Q589-F591 PolarHBondContact O-N 3.31Å; Q589-F592 VanDerWaalsContact O-CB 3.3Å; Q589-F592 WeakPolarHBondContact O-CB 3.33Å; Q589-F592 PolarHBondContact O-N 2.82Å
590	S	98.6	Very high	97.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-57.8	-40.3	179.3	46.8	0	0	0	0	112.9	E204 D229 R270 F592 L593 A594	E204-S590 PolarHBondContact OE1-N 2.65Å; E204-S590 VanDerWaalsContact OE1-N 3.13Å; D229-S590 VanDerWaalsContact OD2-CB 3.27Å; D229-S590 WeakPolarHBondContact OD2-CB 3.16Å; D229-S590 PolarHBondContact OD2-OG 3.14Å; R270-S590 PolarHBondContact NH1-OG 3.22Å; S590-F592 PolarHBondContact O-N 2.76Å; S590-F592 VanDerWaalsContact O-N 3.09Å; S590-L593 PolarHBondContact O-N 2.96Å; S590-A594 PolarHBondContact O-N 3.36Å
591	F	98.7	Very high	98.2	Very high	9 Å²	9	18.7 Å²	18.7	4%	0.039	11%	0.105	C	C	.	.	H	α-helix	trans	-60.1	-18.7	175.1	54.5	-109.4	0	0	0	115.1	I529 R531 Q589 L593 A594 E595 T596 E620	I529-F591 HydrophobicContact CD1-CZ 4.18Å; I529-F591 HydrophobicContact CG1-CZ 4.28Å; I529-F591 WeakPolarHBondContact O-CE2 3.34Å; I529-F591 WeakPolarHBondContact O-CZ 3.43Å; R531-F591 HydrophobicContact CG-CE2 4.32Å; R531-F591 HydrophobicContact CG-CZ 4.41Å; Q589-F591 VanDerWaalsContact C-N 3.3Å; Q589-F591 HydrophobicContact CB-CD1 3.81Å; Q589-F591 HydrophobicContact CB-CD2 3.86Å; Q589-F591 HydrophobicContact CB-CE1 3.47Å; Q589-F591 VanDerWaalsContact CB-CE1 3.47Å; Q589-F591 HydrophobicContact CB-CE2 3.5Å; Q589-F591 VanDerWaalsContact CB-CE2 3.5Å; Q589-F591 HydrophobicContact CB-CG 4Å; Q589-F591 HydrophobicContact CB-CZ 3.31Å; Q589-F591 HydrophobicContact CG-CE1 3.74Å; Q589-F591 HydrophobicContact CG-CE2 3.86Å; Q589-F591 HydrophobicContact CG-CZ 3.34Å; Q589-F591 PolarHBondContact O-N 3.31Å; F591-L593 PolarHBondContact O-N 2.91Å; F591-A594 PolarHBondContact O-N 3.13Å; F591-E595 HydrophobicContact CB-CG 4.04Å; F591-E595 VanDerWaalsContact CB-OE1 3.25Å; F591-E595 WeakPolarHBondContact CB-OE1 3.41Å; F591-E595 WeakPolarHBondContact O-CA 3.48Å; F591-E595 VanDerWaalsContact O-CB 3.31Å; F591-E595 WeakPolarHBondContact O-CB 3.46Å; F591-E595 PolarHBondContact O-N 2.78Å; F591-T596 PolarHBondContact O-N 2.9Å; F591-E620 WeakPolarHBondContact CB-OE1 3.42Å
592	F	98.9	Very high	98.4	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.075	C	C	.	.	I	π-helix	trans	-62.1	-38.2	174.2	178.3	-112.9	0	0	0	110.8	A191 L530 I561 F571 Q589 S590 T596 L597	A191-F592 HydrophobicContact CB-CD1 4.47Å; A191-F592 HydrophobicContact CB-CE1 4.27Å; L530-F592 HydrophobicContact CB-CB 4.02Å; L530-F592 HydrophobicContact CB-CD2 3.68Å; L530-F592 HydrophobicContact CB-CE2 4.48Å; L530-F592 HydrophobicContact CB-CG 4.07Å; L530-F592 HydrophobicContact CD1-CB 4.08Å; L530-F592 HydrophobicContact CD1-CD1 4.37Å; L530-F592 HydrophobicContact CD1-CD2 4.18Å; L530-F592 HydrophobicContact CD1-CG 3.94Å; L530-F592 HydrophobicContact CD2-CD2 4.44Å; L530-F592 HydrophobicContact CG-CD2 4.32Å; I561-F592 HydrophobicContact CD1-CE2 4.47Å; I561-F592 HydrophobicContact CG2-CE2 3.82Å; I561-F592 HydrophobicContact CG2-CZ 3.85Å; F571-F592 HydrophobicContact CB-CD1 4.15Å; F571-F592 HydrophobicContact CB-CE1 3.7Å; F571-F592 HydrophobicContact CB-CZ 4.14Å; F571-F592 HydrophobicContact CD1-CE1 4.09Å; F571-F592 AromaticContact CD1-CZ 3.86Å; F571-F592 HydrophobicContact CD1-CZ 3.86Å; F571-F592 HydrophobicContact CD2-CD1 4.43Å; F571-F592 AromaticContact CD2-CE1 3.45Å; F571-F592 HydrophobicContact CD2-CE1 3.45Å; F571-F592 VanDerWaalsContact CD2-CE1 3.45Å; F571-F592 HydrophobicContact CD2-CZ 4.01Å; F571-F592 HydrophobicContact CE1-CZ 4.23Å; F571-F592 HydrophobicContact CE2-CE1 4.03Å; F571-F592 HydrophobicContact CE2-CZ 4.35Å; F571-F592 HydrophobicContact CG-CD1 4.39Å; F571-F592 AromaticContact CG-CE1 3.48Å; F571-F592 HydrophobicContact CG-CE1 3.48Å; F571-F592 VanDerWaalsContact CG-CE1 3.48Å; F571-F592 AromaticContact CG-CZ 3.74Å; F571-F592 HydrophobicContact CG-CZ 3.74Å; F571-F592 HydrophobicContact CZ-CZ 4.47Å; Q589-F592 VanDerWaalsContact O-CB 3.3Å; Q589-F592 WeakPolarHBondContact O-CB 3.33Å; Q589-F592 PolarHBondContact O-N 2.82Å; S590-F592 PolarHBondContact O-N 2.76Å; S590-F592 VanDerWaalsContact O-N 3.09Å; F592-T596 HydrophobicContact CD2-CG2 3.81Å; F592-T596 HydrophobicContact CE2-CG2 3.83Å; F592-L597 HydrophobicContact CD1-CD1 4.07Å; F592-L597 HydrophobicContact CD1-CG 4.41Å; F592-L597 HydrophobicContact CE1-CD1 3.66Å; F592-L597 HydrophobicContact CE1-CD2 4.3Å; F592-L597 HydrophobicContact CE1-CG 4Å; F592-L597 HydrophobicContact CE2-CD2 4.26Å; F592-L597 HydrophobicContact CE2-CG 4.21Å; F592-L597 HydrophobicContact CZ-CD1 4.05Å; F592-L597 HydrophobicContact CZ-CD2 3.83Å; F592-L597 HydrophobicContact CZ-CG 3.91Å; F592-L597 WeakPolarHBondContact O-CG 3.49Å; F592-L597 PolarHBondContact O-N 3.19Å
593	L	98.9	Very high	98.7	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.064	C	C	.	.	I	π-helix	trans	-81.6	-40.1	176.7	-66.9	85.1	0	0	0	111.2	M188 A191 W192 T226 A230 T233 Q588 S590 F591	M188-L593 HydrophobicContact CE-CB 4.03Å; M188-L593 HydrophobicContact CE-CD2 3.96Å; M188-L593 HydrophobicContact CE-CG 4.34Å; M188-L593 HydrophobicContact SD-CB 3.95Å; M188-L593 HydrophobicContact SD-CD2 3.99Å; M188-L593 HydrophobicContact SD-CG 3.97Å; A191-L593 HydrophobicContact CB-CD1 4.36Å; A191-L593 HydrophobicContact CB-CD2 4.25Å; A191-L593 HydrophobicContact CB-CG 4.18Å; W192-L593 HydrophobicContact CE3-CD2 4.21Å; T226-L593 HydrophobicContact CG2-CD1 4.22Å; T226-L593 HydrophobicContact CG2-CD2 4.04Å; A230-L593 HydrophobicContact CB-CB 4.11Å; A230-L593 HydrophobicContact CB-CD2 4.12Å; T233-L593 WeakPolarHBondContact CB-O 3.39Å; T233-L593 WeakPolarHBondContact CG2-O 3.42Å; T233-L593 PolarHBondContact OG1-O 3.29Å; Q588-L593 HydrophobicContact CG-CD1 4.15Å; S590-L593 PolarHBondContact O-N 2.96Å; F591-L593 PolarHBondContact O-N 2.91Å
594	A	98.9	Very high	98.7	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.041	C	C	.	.	I	π-helix	trans	-68.9	-42.2	-178.5	0	0	0	0	0	112.2	D229 T233 S590 F591 K598 E620	D229-A594 HydrophobicContact CB-CB 3.84Å; D229-A594 WeakPolarHBondContact O-CA 3.31Å; D229-A594 VanDerWaalsContact O-CB 3.31Å; D229-A594 WeakPolarHBondContact O-CB 3.35Å; T233-A594 PolarHBondContact OG1-O 3.19Å; S590-A594 PolarHBondContact O-N 3.36Å; F591-A594 PolarHBondContact O-N 3.13Å; A594-K598 WeakPolarHBondContact O-CB 3.1Å; A594-K598 WeakPolarHBondContact O-CD 3.35Å; A594-K598 WeakPolarHBondContact O-CE 3.33Å; A594-K598 PolarHBondContact O-NZ 2.67Å; A594-E620 HydrophobicContact CB-CG 4.4Å
595	E	98.9	Very high	98.7	Very high	9 Å²	9	6.3 Å²	6.3	4%	0.042	3%	0.032	C	C	.	.	I	π-helix	trans	-118.6	-62.3	-165	-49.7	-166.2	-103.8	0	0	112.1	P532 F591 L597 K598 Y599 E620 A621	P532-E595 HydrophobicContact CB-CB 3.51Å; P532-E595 HydrophobicContact CG-CB 3.65Å; P532-E595 HydrophobicContact CG-CG 4.26Å; F591-E595 HydrophobicContact CB-CG 4.04Å; F591-E595 VanDerWaalsContact CB-OE1 3.25Å; F591-E595 WeakPolarHBondContact CB-OE1 3.41Å; F591-E595 WeakPolarHBondContact O-CA 3.48Å; F591-E595 VanDerWaalsContact O-CB 3.31Å; F591-E595 WeakPolarHBondContact O-CB 3.46Å; F591-E595 PolarHBondContact O-N 2.78Å; E595-L597 PolarHBondContact O-N 2.88Å; E595-K598 PolarHBondContact O-N 2.73Å; E595-K598 VanDerWaalsContact O-N 3.11Å; E595-Y599 HydrophobicContact CB-CD2 4.21Å; E595-Y599 HydrophobicContact CB-CE2 4.11Å; E595-Y599 VanDerWaalsContact O-CD2 3.27Å; E595-Y599 WeakPolarHBondContact O-CD2 3.32Å; E595-Y599 PolarHBondContact O-N 3.24Å; E595-E620 HydrophobicContact CG-CG 4.22Å; E595-A621 HydrophobicContact CB-CB 3.93Å; E595-A621 HydrophobicContact CG-CB 3.71Å
596	T	98.9	Very high	98.7	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.032	C	C	.	.	I	π-helix	trans	-58.9	-48.4	-170.1	-59	0	0	0	0	111.3	L530 P532 I535 I561 F591 F592 L600	L530-T596 PolarHBondContact O-OG1 2.94Å; P532-T596 WeakPolarHBondContact CA-OG1 3.3Å; P532-T596 WeakPolarHBondContact CB-OG1 3.45Å; I535-T596 HydrophobicContact CD1-CG2 3.82Å; I561-T596 HydrophobicContact CD1-CG2 3.97Å; F591-T596 PolarHBondContact O-N 2.9Å; F592-T596 HydrophobicContact CD2-CG2 3.81Å; F592-T596 HydrophobicContact CE2-CG2 3.83Å; T596-L600 HydrophobicContact CG2-CD1 4.41Å; T596-L600 WeakPolarHBondContact O-CB 3.41Å; T596-L600 VanDerWaalsContact O-CG 3.28Å; T596-L600 WeakPolarHBondContact O-CG 3.39Å; T596-L600 PolarHBondContact O-N 2.77Å; T596-L600 VanDerWaalsContact O-N 3.14Å
597	L	98.9	Very high	98.6	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-74.2	-31.9	177.8	-66.3	177.6	0	0	0	113	I184 M187 M188 A191 M237 F592 E595 Y601	I184-L597 HydrophobicContact CG2-CB 4.44Å; I184-L597 HydrophobicContact CG2-CD2 4.1Å; I184-L597 WeakPolarHBondContact CG2-O 3.16Å; M187-L597 HydrophobicContact CB-CD2 3.91Å; M187-L597 HydrophobicContact CE-CD2 4.1Å; M188-L597 HydrophobicContact CB-CD1 3.97Å; M188-L597 HydrophobicContact SD-CD1 3.83Å; A191-L597 HydrophobicContact CB-CD1 4.5Å; M237-L597 HydrophobicContact CE-CB 4.25Å; M237-L597 WeakPolarHBondContact CE-O 3.1Å; F592-L597 HydrophobicContact CD1-CD1 4.07Å; F592-L597 HydrophobicContact CD1-CG 4.41Å; F592-L597 HydrophobicContact CE1-CD1 3.66Å; F592-L597 HydrophobicContact CE1-CD2 4.3Å; F592-L597 HydrophobicContact CE1-CG 4Å; F592-L597 HydrophobicContact CE2-CD2 4.26Å; F592-L597 HydrophobicContact CE2-CG 4.21Å; F592-L597 HydrophobicContact CZ-CD1 4.05Å; F592-L597 HydrophobicContact CZ-CD2 3.83Å; F592-L597 HydrophobicContact CZ-CG 3.91Å; F592-L597 WeakPolarHBondContact O-CG 3.49Å; F592-L597 PolarHBondContact O-N 3.19Å; E595-L597 PolarHBondContact O-N 2.88Å; L597-Y601 VanDerWaalsContact O-CB 3.28Å; L597-Y601 WeakPolarHBondContact O-CB 3.5Å; L597-Y601 PolarHBondContact O-N 3Å
598	K	98.9	Very high	98.4	Very high	1 Å²	1	10.9 Å²	10.9	0%	0.004	6%	0.06	C	C	.	.	H	α-helix	trans	-65.3	-51.4	175.8	-176.1	-177.4	-72.6	141.5	0	111.1	D232 T233 I236 A594 E595 L600 Y601 L602 F617 A621	D232-K598 VanDerWaalsContact OD1-CE 3.32Å; D232-K598 WeakPolarHBondContact OD1-CE 3.32Å; D232-K598 IonicContact OD1-NZ 2.77Å; D232-K598 PolarHBondContact OD1-NZ 3.18Å; D232-K598 IonicContact OD2-NZ 2.92Å; D232-K598 PolarHBondContact OD2-NZ 2.95Å; T233-K598 HydrophobicContact CG2-CB 4.25Å; T233-K598 WeakPolarHBondContact OG1-CE 3.5Å; I236-K598 HydrophobicContact CD1-CD 4.45Å; I236-K598 HydrophobicContact CD1-CG 3.83Å; A594-K598 WeakPolarHBondContact O-CB 3.1Å; A594-K598 WeakPolarHBondContact O-CD 3.35Å; A594-K598 WeakPolarHBondContact O-CE 3.33Å; A594-K598 PolarHBondContact O-NZ 2.67Å; E595-K598 PolarHBondContact O-N 2.73Å; E595-K598 VanDerWaalsContact O-N 3.11Å; K598-L600 PolarHBondContact O-N 2.86Å; K598-Y601 WeakPolarHBondContact O-CB 3.35Å; K598-Y601 PolarHBondContact O-N 3.48Å; K598-Y601 VanDerWaalsContact O-N 3.16Å; K598-L602 HydrophobicContact CG-CD1 3.99Å; K598-L602 WeakPolarHBondContact O-CB 3.33Å; K598-L602 VanDerWaalsContact O-CG 3.3Å; K598-L602 WeakPolarHBondContact O-CG 3.42Å; K598-L602 PolarHBondContact O-N 3.41Å; K598-F617 HydrophobicContact CD-CE1 4.09Å; K598-A621 HydrophobicContact CD-CB 3.97Å; K598-A621 WeakPolarHBondContact CD-O 3.45Å; K598-A621 WeakPolarHBondContact CE-O 3.32Å; K598-A621 PolarHBondContact NZ-O 2.95Å
599	Y	98.9	Very high	98.3	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-65.4	-37.4	178.5	-68.5	-50.7	0	0	0	112.3	P532 E536 W539 E595 L602 L603 F617 A621	P532-Y599 HydrophobicContact CB-CD2 4.25Å; E536-Y599 HydrophobicContact CB-CD2 3.74Å; E536-Y599 HydrophobicContact CB-CE2 3.66Å; E536-Y599 HydrophobicContact CB-CG 4.28Å; E536-Y599 HydrophobicContact CG-CD2 4.21Å; E536-Y599 HydrophobicContact CG-CE1 4.18Å; E536-Y599 HydrophobicContact CG-CE2 3.69Å; W539-Y599 AromaticContact CD2-CD1 3.89Å; W539-Y599 HydrophobicContact CD2-CD1 3.89Å; W539-Y599 HydrophobicContact CD2-CE1 4.35Å; W539-Y599 AromaticContact CE3-CD1 3.37Å; W539-Y599 HydrophobicContact CE3-CD1 3.37Å; W539-Y599 AromaticContact CE3-CE1 3.43Å; W539-Y599 HydrophobicContact CE3-CE1 3.43Å; W539-Y599 VanDerWaalsContact CE3-CE1 3.43Å; W539-Y599 HydrophobicContact CG-CD1 4.39Å; W539-Y599 HydrophobicContact CH2-CE1 4.41Å; W539-Y599 AromaticContact CZ3-CD1 3.86Å; W539-Y599 HydrophobicContact CZ3-CD1 3.86Å; W539-Y599 AromaticContact CZ3-CE1 3.46Å; W539-Y599 HydrophobicContact CZ3-CE1 3.46Å; W539-Y599 VanDerWaalsContact CZ3-CE1 3.46Å; E595-Y599 HydrophobicContact CB-CD2 4.21Å; E595-Y599 HydrophobicContact CB-CE2 4.11Å; E595-Y599 VanDerWaalsContact O-CD2 3.27Å; E595-Y599 WeakPolarHBondContact O-CD2 3.32Å; E595-Y599 PolarHBondContact O-N 3.24Å; Y599-L602 HydrophobicContact CD1-CD1 4.46Å; Y599-L602 PolarHBondContact O-N 3.32Å; Y599-L603 WeakPolarHBondContact O-CB 3.23Å; Y599-L603 PolarHBondContact O-N 2.92Å; Y599-F617 HydrophobicContact CE1-CD1 4.02Å; Y599-F617 HydrophobicContact CE1-CE1 4.4Å; Y599-A621 HydrophobicContact CD2-CB 4.32Å; Y599-A621 HydrophobicContact CE1-CB 4.07Å; Y599-A621 HydrophobicContact CE2-CB 3.53Å; Y599-A621 WeakPolarHBondContact OH-CB 3.26Å
600	L	98.9	Very high	98.3	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-61	-44.2	170.7	-78.1	172.2	0	0	0	111.7	I184 I535 G554 A558 T596 K598 L603 F604	I184-L600 HydrophobicContact CD1-CB 3.99Å; I184-L600 HydrophobicContact CD1-CD1 4.04Å; I184-L600 HydrophobicContact CD1-CG 4.45Å; I184-L600 HydrophobicContact CG1-CB 3.98Å; I184-L600 HydrophobicContact CG2-CB 3.79Å; I535-L600 HydrophobicContact CD1-CD1 4.18Å; I535-L600 HydrophobicContact CD1-CD2 4.15Å; I535-L600 HydrophobicContact CD1-CG 4.09Å; I535-L600 HydrophobicContact CG1-CD2 4.35Å; I535-L600 HydrophobicContact CG2-CD2 3.81Å; I535-L600 HydrophobicContact CG2-CG 3.76Å; G554-L600 WeakPolarHBondContact O-CD2 3.45Å; A558-L600 HydrophobicContact CB-CD1 4.08Å; A558-L600 HydrophobicContact CB-CD2 4.2Å; T596-L600 HydrophobicContact CG2-CD1 4.41Å; T596-L600 WeakPolarHBondContact O-CB 3.41Å; T596-L600 VanDerWaalsContact O-CG 3.28Å; T596-L600 WeakPolarHBondContact O-CG 3.39Å; T596-L600 PolarHBondContact O-N 2.77Å; T596-L600 VanDerWaalsContact O-N 3.14Å; K598-L600 PolarHBondContact O-N 2.86Å; L600-L603 PolarHBondContact O-N 3.06Å; L600-F604 HydrophobicContact CD2-CE2 4.4Å; L600-F604 WeakPolarHBondContact O-CD2 3.48Å; L600-F604 PolarHBondContact O-N 3.05Å
601	Y	98.9	Very high	98.2	Very high	10 Å²	10	10 Å²	10	4%	0.039	6%	0.057	C	C	.	.	H	α-helix	trans	-63.6	-44.9	178.7	-172.4	-100.5	0	0	0	111.6	R181 K185 I236 M237 L597 K598 F604 S605 L609	R181-Y601 HydrophobicContact CG-CD2 3.59Å; R181-Y601 HydrophobicContact CG-CE2 3.38Å; R181-Y601 HydrophobicContact CG-CG 4.33Å; R181-Y601 PolarHBondContact NE-OH 2.96Å; R181-Y601 PolarHBondContact NH2-OH 3.05Å; R181-Y601 VanDerWaalsContact NH2-OH 3.08Å; K185-Y601 HydrophobicContact CB-CE2 4.23Å; I236-Y601 HydrophobicContact CD1-CD1 4.44Å; M237-Y601 HydrophobicContact CB-CE2 4.39Å; M237-Y601 HydrophobicContact CE-CD2 4Å; M237-Y601 HydrophobicContact CE-CG 3.84Å; M237-Y601 HydrophobicContact CG-CD1 3.98Å; M237-Y601 HydrophobicContact CG-CD2 3.84Å; M237-Y601 HydrophobicContact CG-CE1 3.97Å; M237-Y601 HydrophobicContact CG-CE2 3.84Å; M237-Y601 HydrophobicContact CG-CG 3.91Å; M237-Y601 HydrophobicContact SD-CD2 4.36Å; L597-Y601 VanDerWaalsContact O-CB 3.28Å; L597-Y601 WeakPolarHBondContact O-CB 3.5Å; L597-Y601 PolarHBondContact O-N 3Å; K598-Y601 WeakPolarHBondContact O-CB 3.35Å; K598-Y601 PolarHBondContact O-N 3.48Å; K598-Y601 VanDerWaalsContact O-N 3.16Å; Y601-F604 CarbonylContact O-C 3.56Å; Y601-F604 PolarHBondContact O-N 3.48Å; Y601-S605 PolarHBondContact O-N 3.47Å; Y601-S605 VanDerWaalsContact O-N 3.15Å; Y601-S605 PolarHBondContact O-OG 3.34Å; Y601-L609 HydrophobicContact CD1-CD2 4.37Å; Y601-L609 HydrophobicContact CE1-CD2 4.01Å
602	L	98.8	Very high	98	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-66	-35.5	177.4	-67.9	171.2	0	0	0	112.7	I236 W539 K598 Y599 F604 S605 L609 L610 F617	I236-L602 HydrophobicContact CD1-CD2 4.23Å; I236-L602 HydrophobicContact CD1-CG 4.42Å; W539-L602 HydrophobicContact CG-CB 4.39Å; W539-L602 HydrophobicContact CH2-CD1 4.46Å; W539-L602 HydrophobicContact CZ2-CD1 3.99Å; K598-L602 HydrophobicContact CG-CD1 3.99Å; K598-L602 WeakPolarHBondContact O-CB 3.33Å; K598-L602 VanDerWaalsContact O-CG 3.3Å; K598-L602 WeakPolarHBondContact O-CG 3.42Å; K598-L602 PolarHBondContact O-N 3.41Å; Y599-L602 HydrophobicContact CD1-CD1 4.46Å; Y599-L602 PolarHBondContact O-N 3.32Å; L602-F604 PolarHBondContact O-N 3.39Å; L602-S605 PolarHBondContact O-N 3.31Å; L602-S605 VanDerWaalsContact O-N 3.1Å; L602-L609 HydrophobicContact CD2-CD2 3.81Å; L602-L609 HydrophobicContact CD2-CG 3.93Å; L602-L610 HydrophobicContact CD2-CD1 4.28Å; L602-F617 HydrophobicContact CD1-CE1 3.66Å; L602-F617 HydrophobicContact CD1-CZ 3.63Å
603	L	98.8	Very high	97.7	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60	-35	174.8	177.9	63.4	0	0	0	112.1	W539 W542 R551 Y599 L600	W539-L603 HydrophobicContact CB-CB 4.49Å; W542-L603 HydrophobicContact CB-CD1 3.51Å; W542-L603 HydrophobicContact CG-CD1 3.75Å; R551-L603 HydrophobicContact CG-CD1 3.83Å; R551-L603 HydrophobicContact CG-CG 4.02Å; R551-L603 PolarHBondContact NE-O 3.01Å; R551-L603 PolarHBondContact NH2-O 2.9Å; Y599-L603 WeakPolarHBondContact O-CB 3.23Å; Y599-L603 PolarHBondContact O-N 2.92Å; L600-L603 PolarHBondContact O-N 3.06Å
604	F	98.7	Very high	97.5	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	16.5	175.7	-58.1	-66.2	0	0	0	113.6	I177 K180 R181 I184 R551 W555 L600 Y601 L602	I177-F604 HydrophobicContact CD1-CD1 4.38Å; I177-F604 HydrophobicContact CG2-CB 4.06Å; I177-F604 HydrophobicContact CG2-CD1 4.35Å; I177-F604 WeakPolarHBondContact CG2-O 3.49Å; K180-F604 HydrophobicContact CB-CD1 4Å; K180-F604 HydrophobicContact CB-CD2 4.28Å; K180-F604 HydrophobicContact CB-CE1 4.27Å; K180-F604 HydrophobicContact CB-CG 4.03Å; K180-F604 HydrophobicContact CD-CD1 4.13Å; K180-F604 HydrophobicContact CD-CE1 3.83Å; K180-F604 HydrophobicContact CD-CZ 4.4Å; R181-F604 HydrophobicContact CB-CB 3.89Å; R181-F604 WeakPolarHBondContact CD-O 3.1Å; R181-F604 HydrophobicContact CG-CB 4.49Å; I184-F604 HydrophobicContact CG1-CD2 4.19Å; R551-F604 HydrophobicContact CB-CE1 4Å; R551-F604 HydrophobicContact CG-CD1 4.26Å; R551-F604 HydrophobicContact CG-CE1 4.08Å; R551-F604 WeakPolarHBondContact O-CZ 3.35Å; W555-F604 HydrophobicContact CB-CE1 4.48Å; W555-F604 HydrophobicContact CB-CZ 3.87Å; W555-F604 HydrophobicContact CE3-CE2 4.13Å; W555-F604 HydrophobicContact CE3-CZ 4.08Å; L600-F604 HydrophobicContact CD2-CE2 4.4Å; L600-F604 WeakPolarHBondContact O-CD2 3.48Å; L600-F604 PolarHBondContact O-N 3.05Å; Y601-F604 CarbonylContact O-C 3.56Å; Y601-F604 PolarHBondContact O-N 3.48Å; L602-F604 PolarHBondContact O-N 3.39Å
605	S	98.3	Very high	97.4	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.105	C	C	.	.	S	Bend	trans	-103.5	166.2	173.5	-59.8	0	0	0	0	111.5	G170 R181 R551 Y601 L602	G170-S605 WeakPolarHBondContact O-CA 3.41Å; R181-S605 PolarHBondContact NE-OG 3.28Å; R551-S605 PolarHBondContact NH2-O 3.19Å; R551-S605 VanDerWaalsContact NH2-O 3.09Å; Y601-S605 PolarHBondContact O-N 3.47Å; Y601-S605 VanDerWaalsContact O-N 3.15Å; Y601-S605 PolarHBondContact O-OG 3.34Å; L602-S605 PolarHBondContact O-N 3.31Å; L602-S605 VanDerWaalsContact O-N 3.1Å
606	G	96.7	Very high	97.4	Very high	17 Å²	17	19.1 Å²	19.1	18%	0.175	10%	0.104	C	C	.	.			trans	-66.4	158.2	166.2	0	0	0	0	0	112.6	G170 R543 D608 L609	G170-G606 PolarHBondContact O-N 2.95Å; R543-G606 PolarHBondContact NH2-O 3.27Å; G606-D608 VanDerWaalsContact C-OD1 3.28Å; G606-D608 WeakPolarHBondContact CA-OD1 3.42Å; G606-D608 PolarHBondContact O-N 3.39Å; G606-L609 PolarHBondContact O-N 3.31Å
607	D	96.2	Very high	97.4	Very high	55 Å²	55	19.1 Å²	19.1	29%	0.294	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-17.9	-175.2	-84.9	28.6	0	0	0	113.6	R543 H546 L609	R543-D607 VanDerWaalsContact CD-CG 3.41Å; R543-D607 WeakPolarHBondContact CD-OD1 3.29Å; R543-D607 WeakPolarHBondContact CD-OD2 3.4Å; R543-D607 VanDerWaalsContact CZ-CA 3.47Å; R543-D607 IonicContact CZ-OD1 3.16Å; R543-D607 IonicContact NE-OD1 2.64Å; R543-D607 PolarHBondContact NE-OD1 2.94Å; R543-D607 VanDerWaalsContact NH1-C 3.32Å; R543-D607 PolarHBondContact NH1-O 3.34Å; H546-D607 IonicContact CE1-OD2 3.95Å; H546-D607 PolarHBondContact CE1-OD2 2.89Å; H546-D607 IonicContact NE2-OD1 2.79Å; H546-D607 IonicContact NE2-OD2 3.33Å; H546-D607 PolarHBondContact NE2-OD2 2.04Å; D607-L609 VanDerWaalsContact C-N 3.32Å; D607-L609 PolarHBondContact O-N 2.8Å
608	D	95.2	Very high	97.4	Very high	93 Å²	93	19.1 Å²	19.1	50%	0.497	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-16.4	176.5	63.3	-44.3	0	0	0	114.1	G166 G170 G606	G166-D608 WeakPolarHBondContact CA-O 3.38Å; G170-D608 WeakPolarHBondContact CA-OD1 3.43Å; G170-D608 PolarHBondContact N-OD2 3.2Å; G606-D608 VanDerWaalsContact C-OD1 3.28Å; G606-D608 WeakPolarHBondContact CA-OD1 3.42Å; G606-D608 PolarHBondContact O-N 3.39Å
609	L	97.4	Very high	97.4	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	-84	119.5	171	-179.7	66.7	0	0	0	110.1	G166 R543 Y601 L602 G606 D607	G166-L609 WeakPolarHBondContact O-CD1 3.36Å; R543-L609 PolarHBondContact NH2-O 3.05Å; Y601-L609 HydrophobicContact CD1-CD2 4.37Å; Y601-L609 HydrophobicContact CE1-CD2 4.01Å; L602-L609 HydrophobicContact CD2-CD2 3.81Å; L602-L609 HydrophobicContact CD2-CG 3.93Å; G606-L609 PolarHBondContact O-N 3.31Å; D607-L609 VanDerWaalsContact C-N 3.32Å; D607-L609 PolarHBondContact O-N 2.8Å
610	L	97.4	Very high	97.4	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	45.7	62.3	-175.6	-60	-179.6	0	0	0	112.8	G166 I236 L281 L602 W615 F617 P623	G166-L610 PolarHBondContact O-N 3.03Å; I236-L610 HydrophobicContact CD1-CD1 4.26Å; I236-L610 HydrophobicContact CG2-CD1 4.13Å; L281-L610 HydrophobicContact CD2-CD2 4.2Å; L602-L610 HydrophobicContact CD2-CD1 4.28Å; L610-W615 HydrophobicContact CB-CG 4.39Å; L610-W615 HydrophobicContact CD2-CD2 3.91Å; L610-W615 HydrophobicContact CD2-CG 4.08Å; L610-W615 HydrophobicContact CD2-CZ2 4.2Å; L610-F617 HydrophobicContact CB-CE2 4.32Å; L610-F617 HydrophobicContact CB-CZ 3.99Å; L610-F617 HydrophobicContact CD1-CE1 4.19Å; L610-F617 HydrophobicContact CD1-CZ 3.65Å; L610-F617 HydrophobicContact CG-CZ 4.49Å; L610-P623 HydrophobicContact CD1-CB 4.07Å; L610-P623 HydrophobicContact CD1-CG 3.91Å; L610-P623 HydrophobicContact CD2-CB 4.43Å; L610-P623 HydrophobicContact CD2-CG 4.48Å
611	P	96.6	Very high	97.4	Very high	17 Å²	17	20.5 Å²	20.5	11%	0.11	11%	0.113	C	C	.	.			trans	-66.6	140.8	-175.3	31.6	-37.5	0	0	0	111.2	V165 D613 H614 W615	V165-P611 HydrophobicContact CG1-CG 4.09Å; P611-D613 VanDerWaalsContact CB-OD1 3.31Å; P611-D613 WeakPolarHBondContact CB-OD1 3.42Å; P611-D613 PolarHBondContact O-N 3.34Å; P611-H614 HydrophobicContact CG-CB 4.25Å; P611-H614 PolarHBondContact O-N 3.47Å; P611-W615 PolarHBondContact O-N 3.37Å
612	L	95.5	Very high	97.4	Very high	39 Å²	39	20 Å²	20	20%	0.204	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-13.3	-167.7	-65.9	179.8	0	0	0	114.7	W539 Y540 R543 F544	W539-L612 HydrophobicContact CH2-CD2 3.47Å; W539-L612 VanDerWaalsContact CH2-CD2 3.47Å; W539-L612 HydrophobicContact CZ2-CD2 3.85Å; W539-L612 HydrophobicContact CZ3-CD2 4.32Å; Y540-L612 HydrophobicContact CD1-CD1 4Å; Y540-L612 HydrophobicContact CD1-CD2 4.4Å; Y540-L612 HydrophobicContact CE1-CD1 4.23Å; Y540-L612 HydrophobicContact CE1-CD2 3.87Å; R543-L612 HydrophobicContact CB-CD1 3.96Å; R543-L612 HydrophobicContact CG-CD1 4.33Å; F544-L612 HydrophobicContact CE1-CD1 4.19Å; F544-L612 HydrophobicContact CE2-CD1 3.98Å; F544-L612 HydrophobicContact CZ-CD1 3.61Å
613	D	92.1	Very high	97.4	Very high	109 Å²	109	20.1 Å²	20.1	58%	0.583	11%	0.111	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-18.5	172.5	59.4	-23	0	0	0	112.8	P611	P611-D613 VanDerWaalsContact CB-OD1 3.31Å; P611-D613 WeakPolarHBondContact CB-OD1 3.42Å; P611-D613 PolarHBondContact O-N 3.34Å
614	H	94.7	Very high	97.3	Very high	52 Å²	52	20.1 Å²	20.1	24%	0.241	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-22.2	179	-70.2	-74.5	0	0	0	113.7	V165 P611 P625 V626	V165-H614 HydrophobicContact CB-CB 4.25Å; P611-H614 HydrophobicContact CG-CB 4.25Å; P611-H614 PolarHBondContact O-N 3.47Å; H614-P625 WeakPolarHBondContact O-CA 3.37Å; H614-V626 PolarHBondContact O-N 3.21Å
615	W	97.5	Very high	97.2	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.008	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	134.2	-175.3	-62	91.4	0	0	0	112.4	L164 V165 I167 L281 L610 P611 F617 P623 P625	L164-W615 HydrophobicContact CB-CZ2 4.26Å; L164-W615 HydrophobicContact CD2-CH2 3.76Å; L164-W615 HydrophobicContact CD2-CZ2 3.99Å; V165-W615 PolarHBondContact O-NE1 3.37Å; I167-W615 HydrophobicContact CG2-CH2 4.12Å; I167-W615 HydrophobicContact CG2-CZ2 3.5Å; I167-W615 VanDerWaalsContact CG2-CZ2 3.5Å; L281-W615 HydrophobicContact CD2-CH2 4.02Å; L281-W615 HydrophobicContact CD2-CZ2 4.44Å; L610-W615 HydrophobicContact CB-CG 4.39Å; L610-W615 HydrophobicContact CD2-CD2 3.91Å; L610-W615 HydrophobicContact CD2-CG 4.08Å; L610-W615 HydrophobicContact CD2-CZ2 4.2Å; P611-W615 PolarHBondContact O-N 3.37Å; W615-F617 HydrophobicContact CB-CE2 4.36Å; W615-P623 HydrophobicContact CB-CB 4.43Å; W615-P623 HydrophobicContact CD2-CB 4.27Å; W615-P623 HydrophobicContact CE3-CB 3.69Å; W615-P623 HydrophobicContact CE3-CG 4.48Å; W615-P623 HydrophobicContact CZ3-CB 4.3Å; W615-P625 HydrophobicContact CE3-CB 4.38Å; W615-P625 HydrophobicContact CZ3-CB 4.26Å
616	V	98.2	Very high	97.1	Very high	6 Å²	6	20.6 Å²	20.6	4%	0.036	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	117.7	170.4	-168.2	0	0	0	0	108	M341 K407 L410 M411 L624 V626	M341-V616 HydrophobicContact CE-CB 3.76Å; M341-V616 HydrophobicContact CE-CG1 3.47Å; M341-V616 VanDerWaalsContact CE-CG1 3.47Å; M341-V616 HydrophobicContact SD-CG1 4.39Å; K407-V616 HydrophobicContact CB-CG1 3.64Å; K407-V616 HydrophobicContact CD-CG1 4.05Å; K407-V616 HydrophobicContact CG-CG1 3.75Å; L410-V616 HydrophobicContact CB-CG2 3.93Å; M411-V616 HydrophobicContact CB-CB 4.37Å; M411-V616 HydrophobicContact CB-CG2 4.09Å; V616-L624 PolarHBondContact N-O 3.46Å; V616-L624 PolarHBondContact O-N 2.92Å; V616-V626 HydrophobicContact CG2-CG2 3.93Å
617	F	98.8	Very high	96.9	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	130.4	179.6	-72.1	-111.9	0	0	0	108.7	K407 W539 K598 Y599 L602 L610 W615 A621 H622 P623	K407-F617 WeakPolarHBondContact CD-O 3.47Å; K407-F617 WeakPolarHBondContact CE-O 3.16Å; K407-F617 PolarHBondContact NZ-O 3.47Å; W539-F617 HydrophobicContact CH2-CD1 4.47Å; W539-F617 AromaticContact CH2-CD2 3.58Å; W539-F617 HydrophobicContact CH2-CD2 3.58Å; W539-F617 HydrophobicContact CH2-CE1 4.21Å; W539-F617 AromaticContact CH2-CE2 3.3Å; W539-F617 HydrophobicContact CH2-CE2 3.3Å; W539-F617 HydrophobicContact CH2-CG 4.19Å; W539-F617 AromaticContact CH2-CZ 3.63Å; W539-F617 HydrophobicContact CH2-CZ 3.63Å; W539-F617 AromaticContact CZ2-CE2 3.97Å; W539-F617 HydrophobicContact CZ2-CE2 3.97Å; W539-F617 HydrophobicContact CZ2-CZ 4.05Å; W539-F617 HydrophobicContact CZ3-CD2 4.11Å; W539-F617 HydrophobicContact CZ3-CE2 4.21Å; W539-F617 HydrophobicContact CZ3-CG 4.34Å; W539-F617 HydrophobicContact CZ3-CZ 4.46Å; K598-F617 HydrophobicContact CD-CE1 4.09Å; Y599-F617 HydrophobicContact CE1-CD1 4.02Å; Y599-F617 HydrophobicContact CE1-CE1 4.4Å; L602-F617 HydrophobicContact CD1-CE1 3.66Å; L602-F617 HydrophobicContact CD1-CZ 3.63Å; L610-F617 HydrophobicContact CB-CE2 4.32Å; L610-F617 HydrophobicContact CB-CZ 3.99Å; L610-F617 HydrophobicContact CD1-CE1 4.19Å; L610-F617 HydrophobicContact CD1-CZ 3.65Å; L610-F617 HydrophobicContact CG-CZ 4.49Å; W615-F617 HydrophobicContact CB-CE2 4.36Å; F617-A621 HydrophobicContact CD1-CB 4.35Å; F617-A621 WeakPolarHBondContact CD1-O 3.17Å; F617-H622 CarbonylContact C-O 3.47Å; F617-H622 WeakPolarHBondContact CA-O 3.43Å; F617-P623 HydrophobicContact CD1-CB 4.34Å; F617-P623 HydrophobicContact CE1-CB 4.11Å; F617-P623 HydrophobicContact CE2-CB 4.26Å; F617-P623 HydrophobicContact CZ-CB 4.07Å
618	N	98.8	Very high	96.1	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.111	C	C	.	.			trans	-67.3	179.3	169.2	96.3	-29.9	0	0	0	110.3	I269 E342 Y404 E620 A621 H622 L624	I269-N618 PolarHBondContact O-ND2 2.88Å; E342-N618 WeakPolarHBondContact OE1-CB 3.35Å; E342-N618 PolarHBondContact OE1-ND2 2.96Å; Y404-N618 VanDerWaalsContact OH-CB 3.3Å; Y404-N618 WeakPolarHBondContact OH-CB 3.47Å; N618-E620 PolarHBondContact O-N 3.3Å; N618-E620 VanDerWaalsContact O-N 3.16Å; N618-E620 WeakPolarHBondContact OD1-CA 3.29Å; N618-E620 PolarHBondContact OD1-N 3.44Å; N618-A621 PolarHBondContact O-N 3.35Å; N618-A621 VanDerWaalsContact O-N 3.17Å; N618-A621 PolarHBondContact OD1-N 3.41Å; N618-H622 PolarHBondContact N-O 3.39Å; N618-H622 VanDerWaalsContact OD1-CB 3.29Å; N618-H622 WeakPolarHBondContact OD1-CB 3.4Å; N618-H622 PolarHBondContact OD1-N 3.46Å; N618-L624 HydrophobicContact CB-CD1 4.25Å
619	T	98.6	Very high	94.6	Very high	24 Å²	24	20.6 Å²	20.6	15%	0.147	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-6.7	-175.6	-170.4	0	0	0	0	114	F265 I269 T338 S400 E403 Y404	F265-T619 HydrophobicContact CE2-CG2 4.43Å; I269-T619 HydrophobicContact CB-CG2 3.67Å; I269-T619 HydrophobicContact CD1-CG2 3.85Å; I269-T619 HydrophobicContact CG1-CG2 4.27Å; I269-T619 HydrophobicContact CG2-CG2 3.43Å; I269-T619 VanDerWaalsContact CG2-CG2 3.43Å; T338-T619 HydrophobicContact CG2-CG2 3.53Å; S400-T619 WeakPolarHBondContact CB-OG1 3.34Å; E403-T619 WeakPolarHBondContact OE1-CA 3.42Å; E403-T619 PolarHBondContact OE2-OG1 3.38Å; Y404-T619 HydrophobicContact CE1-CG2 4.25Å; Y404-T619 PolarHBondContact OH-N 3.07Å; Y404-T619 VanDerWaalsContact OH-N 3.11Å
620	E	98.9	Very high	92.3	Very high	7 Å²	7	25.2 Å²	25.2	3%	0.033	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.2	29.2	175.2	-155.3	89.7	-176.9	0	0	110.7	I269 R270 F591 A594 E595 N618 H622	I269-E620 HydrophobicContact CB-CB 4.36Å; I269-E620 VanDerWaalsContact CD1-OE2 3.23Å; I269-E620 WeakPolarHBondContact CD1-OE2 3.44Å; I269-E620 HydrophobicContact CG1-CB 4.31Å; R270-E620 HydrophobicContact CG-CG 3.94Å; R270-E620 IonicContact CZ-OE1 2.94Å; R270-E620 IonicContact CZ-OE2 2.92Å; R270-E620 IonicContact NE-OE1 3.35Å; R270-E620 IonicContact NH1-OE1 3.19Å; R270-E620 PolarHBondContact NH1-OE1 2.98Å; R270-E620 IonicContact NH2-OE1 3.75Å; R270-E620 PolarHBondContact NH2-OE1 3.25Å; R270-E620 VanDerWaalsContact NH2-OE1 3.13Å; R270-E620 IonicContact NH2-OE2 2.65Å; F591-E620 WeakPolarHBondContact CB-OE1 3.42Å; A594-E620 HydrophobicContact CB-CG 4.4Å; E595-E620 HydrophobicContact CG-CG 4.22Å; N618-E620 PolarHBondContact O-N 3.3Å; N618-E620 VanDerWaalsContact O-N 3.16Å; N618-E620 WeakPolarHBondContact OD1-CA 3.29Å; N618-E620 PolarHBondContact OD1-N 3.44Å; E620-H622 PolarHBondContact O-N 3.42Å; E620-H622 VanDerWaalsContact O-N 3.11Å
621	A	98.8	Very high	89.5	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	57.3	22.5	-180	0	0	0	0	0	115.8	E595 K598 Y599 F617 N618 P623	E595-A621 HydrophobicContact CB-CB 3.93Å; E595-A621 HydrophobicContact CG-CB 3.71Å; K598-A621 HydrophobicContact CD-CB 3.97Å; K598-A621 WeakPolarHBondContact CD-O 3.45Å; K598-A621 WeakPolarHBondContact CE-O 3.32Å; K598-A621 PolarHBondContact NZ-O 2.95Å; Y599-A621 HydrophobicContact CD2-CB 4.32Å; Y599-A621 HydrophobicContact CE1-CB 4.07Å; Y599-A621 HydrophobicContact CE2-CB 3.53Å; Y599-A621 WeakPolarHBondContact OH-CB 3.26Å; F617-A621 HydrophobicContact CD1-CB 4.35Å; F617-A621 WeakPolarHBondContact CD1-O 3.17Å; N618-A621 PolarHBondContact O-N 3.35Å; N618-A621 VanDerWaalsContact O-N 3.17Å; N618-A621 PolarHBondContact OD1-N 3.41Å; A621-P623 WeakPolarHBondContact O-CD 3.46Å
622	H	98.9	Very high	86.9	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.191	C	C	.	.			trans	-82.8	115.4	173.5	-61.4	-55.6	0	0	0	110.6	D229 D232 I269 R270 G274 A277 F617 N618 E620 L624	D229-H622 PolarHBondContact O-CE1 2.84Å; D229-H622 IonicContact OD1-NE2 3.04Å; D232-H622 IonicContact OD1-CE1 3.74Å; D232-H622 IonicContact OD1-ND1 3.92Å; D232-H622 WeakPolarHBondContact OD2-CA 3.43Å; D232-H622 IonicContact OD2-CE1 3.11Å; D232-H622 IonicContact OD2-CG 3.82Å; D232-H622 IonicContact OD2-ND1 2.59Å; D232-H622 PolarHBondContact OD2-ND1 3.49Å; I269-H622 PolarHBondContact O-CD2 2.93Å; R270-H622 PolarHBondContact O-NE2 3.37Å; G274-H622 WeakPolarHBondContact CA-ND1 3.39Å; G274-H622 PolarHBondContact N-CD2 2.83Å; G274-H622 VanDerWaalsContact N-CD2 3.26Å; A277-H622 HydrophobicContact CB-CB 3.81Å; F617-H622 CarbonylContact C-O 3.47Å; F617-H622 WeakPolarHBondContact CA-O 3.43Å; N618-H622 PolarHBondContact N-O 3.39Å; N618-H622 VanDerWaalsContact OD1-CB 3.29Å; N618-H622 WeakPolarHBondContact OD1-CB 3.4Å; N618-H622 PolarHBondContact OD1-N 3.46Å; E620-H622 PolarHBondContact O-N 3.42Å; E620-H622 VanDerWaalsContact O-N 3.11Å; H622-L624 PolarHBondContact O-N 2.99Å
623	P	98.5	Very high	84	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	123.2	-177.4	31.4	-35	0	0	0	110.5	D232 A277 L281 L610 W615 F617 A621	D232-P623 WeakPolarHBondContact OD2-CD 3.31Å; A277-P623 HydrophobicContact CB-CG 4.38Å; L281-P623 HydrophobicContact CD1-CG 4.42Å; L610-P623 HydrophobicContact CD1-CB 4.07Å; L610-P623 HydrophobicContact CD1-CG 3.91Å; L610-P623 HydrophobicContact CD2-CB 4.43Å; L610-P623 HydrophobicContact CD2-CG 4.48Å; W615-P623 HydrophobicContact CB-CB 4.43Å; W615-P623 HydrophobicContact CD2-CB 4.27Å; W615-P623 HydrophobicContact CE3-CB 3.69Å; W615-P623 HydrophobicContact CE3-CG 4.48Å; W615-P623 HydrophobicContact CZ3-CB 4.3Å; F617-P623 HydrophobicContact CD1-CB 4.34Å; F617-P623 HydrophobicContact CE1-CB 4.11Å; F617-P623 HydrophobicContact CE2-CB 4.26Å; F617-P623 HydrophobicContact CZ-CB 4.07Å; A621-P623 WeakPolarHBondContact O-CD 3.46Å
624	L	98.1	Very high	81.5	Confident	0 Å²	0	38 Å²	38	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	137	174.8	-58.9	178.3	0	0	0	109.7	L276 Y280 M341 H345 V616 N618 H622	L276-L624 HydrophobicContact CB-CD2 3.67Å; L276-L624 HydrophobicContact CD1-CD2 4.48Å; Y280-L624 HydrophobicContact CD2-CD2 4.23Å; Y280-L624 HydrophobicContact CE2-CD2 4.23Å; M341-L624 HydrophobicContact CB-CD1 4.12Å; M341-L624 HydrophobicContact CE-CD1 4.3Å; H345-L624 WeakPolarHBondContact NE2-CB 3.29Å; V616-L624 PolarHBondContact N-O 3.46Å; V616-L624 PolarHBondContact O-N 2.92Å; N618-L624 HydrophobicContact CB-CD1 4.25Å; H622-L624 PolarHBondContact O-N 2.99Å
625	P	96.8	Very high	78.6	Confident	4 Å²	4	41.4 Å²	41.4	3%	0.026	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	148.4	-175	28	-33.9	0	0	0	111.7	P162 L164 Y280 H345 H614 W615 L627	P162-P625 HydrophobicContact CB-CB 4.16Å; P162-P625 HydrophobicContact CB-CG 4.44Å; P162-P625 HydrophobicContact CG-CB 4.25Å; P162-P625 HydrophobicContact CG-CG 4.01Å; L164-P625 HydrophobicContact CD2-CB 4.31Å; Y280-P625 HydrophobicContact CD1-CG 3.69Å; Y280-P625 HydrophobicContact CD2-CG 3.91Å; Y280-P625 HydrophobicContact CE1-CG 3.7Å; Y280-P625 HydrophobicContact CE2-CG 3.95Å; Y280-P625 HydrophobicContact CG-CG 3.81Å; H345-P625 PolarHBondContact CE1-O 2.77Å; H345-P625 PolarHBondContact NE2-O 2.87Å; H614-P625 WeakPolarHBondContact O-CA 3.37Å; W615-P625 HydrophobicContact CE3-CB 4.38Å; W615-P625 HydrophobicContact CZ3-CB 4.26Å; P625-L627 PolarHBondContact O-N 3.34Å
626	V	95.3	Very high	75.7	Confident	7 Å²	7	44.8 Å²	44.8	4%	0.042	28%	0.284	C	S	.	.			trans	-62	133.2	168.9	176.1	0	0	0	0	109.8	D413 H614 V616	D413-V626 HydrophobicContact CB-CG1 3.79Å; H614-V626 PolarHBondContact O-N 3.21Å; V616-V626 HydrophobicContact CG2-CG2 3.93Å
627	L	91.8	Very high	72.5	Confident	3 Å²	3	50.3 Å²	50.3	2%	0.016	31%	0.314	C	S	.	.			trans	-96.2	101.6	-178.8	-63.2	-178.2	0	0	0	110.8	P162 I344 Y348 M411 P625 L629	P162-L627 HydrophobicContact CG-CD2 4.27Å; I344-L627 HydrophobicContact CG2-CD1 3.82Å; Y348-L627 HydrophobicContact CD1-CD2 3.87Å; Y348-L627 HydrophobicContact CD2-CD2 4.18Å; Y348-L627 HydrophobicContact CE1-CD2 3.96Å; Y348-L627 HydrophobicContact CE2-CD2 4.25Å; Y348-L627 HydrophobicContact CG-CD1 4.26Å; Y348-L627 HydrophobicContact CG-CD2 3.98Å; M411-L627 PolarHBondContact O-N 2.94Å; P625-L627 PolarHBondContact O-N 3.34Å; L627-L629 VanDerWaalsContact C-N 3.32Å; L627-L629 HydrophobicContact CB-CG 4.39Å; L627-L629 PolarHBondContact O-N 3.41Å
628	H	80.6	Confident	69.2	Low	83 Å²	83	56.7 Å²	56.7	38%	0.384	36%	0.355	S	S	.	.			trans	-78.2	76.9	173.6	-57.2	-68.5	0	0	0	111.5	D413 A630 T632	D413-H628 IonicContact OD1-CE1 2.78Å; D413-H628 IonicContact OD1-ND1 3.53Å; D413-H628 IonicContact OD2-CE1 3.86Å; D413-H628 IonicContact OD2-CG 3.69Å; D413-H628 IonicContact OD2-ND1 2.89Å; D413-H628 PolarHBondContact OD2-ND1 3.41Å; H628-A630 PolarHBondContact O-N 3.44Å; H628-A630 VanDerWaalsContact O-N 3.14Å; H628-T632 PolarHBondContact O-OG1 2.94Å
629	L	63.4	Low	65.9	Low	78 Å²	78	60.5 Å²	60.5	41%	0.408	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-12.2	-176.2	-67.3	171.1	0	0	0	114.3	Y348 L627 N631	Y348-L629 HydrophobicContact CD2-CD2 4.49Å; L627-L629 VanDerWaalsContact C-N 3.32Å; L627-L629 HydrophobicContact CB-CG 4.39Å; L627-L629 PolarHBondContact O-N 3.41Å; L629-N631 VanDerWaalsContact C-N 3.27Å; L629-N631 PolarHBondContact O-N 3.16Å
630	A	49.2	Very low	63	Low	98 Å²	98	66.2 Å²	66.2	81%	0.81	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-23.5	-179.9	0	0	0	0	0	114.1	H628	H628-A630 PolarHBondContact O-N 3.44Å; H628-A630 VanDerWaalsContact O-N 3.14Å
631	N	37.6	Very low	59.7	Low	154 Å²	154	81.1 Å²	81.1	82%	0.824	48%	0.477	S	S	*	.	S	Bend	trans	-109.4	-8.7	-178.7	-78.2	-16.8	0	0	0	114.2	L629 T633	L629-N631 VanDerWaalsContact C-N 3.27Å; L629-N631 PolarHBondContact O-N 3.16Å; N631-T633 PolarHBondContact O-N 3.11Å
632	T	42	Very low	57.7	Low	41 Å²	41	85.2 Å²	85.2	25%	0.252	50%	0.501	S	S	.	.			trans	-93.2	93.9	177.7	-24.3	0	0	0	0	107.4	Y348 H628 L634	Y348-T632 HydrophobicContact CE2-CG2 4.33Å; H628-T632 PolarHBondContact O-OG1 2.94Å; T632-L634 PolarHBondContact O-N 3.06Å
633	T	35.6	Very low	55.6	Low	134 Å²	134	89.6 Å²	89.6	82%	0.822	53%	0.527	S	S	*	.			trans	-58	94.2	160.7	46.1	0	0	0	0	107.2	N631 S635	N631-T633 PolarHBondContact O-N 3.11Å; T633-S635 VanDerWaalsContact C-N 3.3Å; T633-S635 PolarHBondContact O-N 3.22Å
634	L	40.3	Very low	53.2	Low	103 Å²	103	94.6 Å²	94.6	54%	0.539	56%	0.556	S	S	.	*			trans	-55.3	103	163.2	-76.5	165.2	0	0	0	104.9	T632 G636	T632-L634 PolarHBondContact O-N 3.06Å; L634-G636 PolarHBondContact O-N 3.28Å
635	S	32.8	Very low	50.6	Low	125 Å²	125	100.1 Å²	100.1	87%	0.874	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	106.2	-174.9	66.3	0	0	0	0	107.9	T633	T633-S635 VanDerWaalsContact C-N 3.3Å; T633-S635 PolarHBondContact O-N 3.22Å
636	G	36.3	Very low	47.7	Very low	73 Å²	73	106.1 Å²	106.1	75%	0.753	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	108.3	52	170	0	0	0	0	0	117	L634	L634-G636 PolarHBondContact O-N 3.28Å
637	N	30.6	Very low	44.5	Very low	122 Å²	122	112.7 Å²	112.7	65%	0.652	66%	0.663	S	S	*	*			trans	-164.3	119.5	136.4	-124.3	-31.1	0	0	0	112.6	A639	N637-A639 PolarHBondContact O-N 3.49Å
638	P	29.6	Very low	41.1	Very low	133 Å²	133	120.6 Å²	120.6	86%	0.864	71%	0.709	S	S	*	*			trans	-77.1	21	178.3	30.7	-32.5	0	0	0	114.1
639	A	30.4	Very low	38.1	Very low	81 Å²	81	123.5 Å²	123.5	67%	0.669	73%	0.734	S	S	*	*			trans	-111.3	25.7	-171	0	0	0	0	0	114.4	N637	N637-A639 PolarHBondContact O-N 3.49Å
640	V	37.8	Very low	36	Very low	143 Å²	143	127.3 Å²	127.3	87%	0.867	76%	0.761	S	S	*	*			trans	-131.6	82.5	166.7	-170	0	0	0	0	107.9
641	R	29.4	Very low	34.8	Very low	320 Å²	320	129.9 Å²	129.9	100%	1.208	76%	0.757	S	S	*	*			trans	-128.3	0	157.7	-98.2	-169.2	-179.6	-174.2	0.7	107.3

Retrieved 641 of 641 residues in 2256.9 ms (Link to these results)

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