A0A087XKP3_POEFO Loading...

phosphatidylinositol-3,5-bisphosphate 3-phosphatase

AlphaFold DB , UniProt , Accession A0A087XKP3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 647 aa.

Structure Viewer

Loading PAE data...

(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	34.8	Very low	31.3	Very low	231 Å²	231	154.3 Å²	154.3	100%	1.138	83%	0.825	S	S	*	*				0	88.5	0	-80.5	166.5	146.9	0	0	106.6
2	E	33.2	Very low	30.9	Very low	176 Å²	176	149.8 Å²	149.8	82%	0.822	82%	0.815	S	S	*	*				76.7	102.5	108.9	-75.9	-171.8	139.8	0	0	112.1
3	K	32.1	Very low	30.6	Very low	183 Å²	183	144.7 Å²	144.7	80%	0.796	81%	0.805	S	S	*	*				63.1	136.4	92.9	-79.9	-169.2	175.2	170.2	0	111.9
4	K	33.6	Very low	30.2	Very low	155 Å²	155	151.9 Å²	151.9	67%	0.674	81%	0.814	S	S	*	*			cis	-175.9	155.7	19.2	-121.1	-175.1	168.7	-157.1	0	110.5
5	D	32.9	Very low	29.9	Very low	141 Å²	141	148.5 Å²	148.5	75%	0.754	81%	0.807	S	S	*	*			trans	45.5	135.7	137.3	-56.4	-25.9	0	0	0	124.2
6	G	26.9	Very low	29.8	Very low	84 Å²	84	147.9 Å²	147.9	87%	0.866	81%	0.809	S	S	*	*			trans	169.2	106.5	150	0	0	0	0	0	115
7	A	27.2	Very low	29.6	Very low	92 Å²	92	146.3 Å²	146.3	76%	0.76	81%	0.808	S	S	*	*			trans	-111.4	157.6	-179.6	0	0	0	0	0	112.9
8	R	26.2	Very low	29.4	Very low	238 Å²	238	145.8 Å²	145.8	90%	0.898	81%	0.81	S	S	*	*			trans	80.5	165.3	159.1	-65.2	-171.8	-175.9	-166.8	2.1	118.3
9	P	35.2	Very low	29.2	Very low	115 Å²	115	144.5 Å²	144.5	75%	0.747	81%	0.812	S	S	*	*			cis	-135.4	-176.6	-37.7	34.8	-15.4	0	0	0	113.6
10	I	33.9	Very low	29.2	Very low	156 Å²	156	143 Å²	143	80%	0.8	81%	0.811	S	S	*	*			trans	-46.5	150.2	169.4	-59	158	0	0	0	113.5
11	P	28.3	Very low	29.4	Very low	126 Å²	126	141.7 Å²	141.7	82%	0.818	81%	0.808	S	S	*	*			trans	-131	147.9	135	30.8	-15.3	0	0	0	114.5
12	S	26.3	Very low	29.1	Very low	101 Å²	101	136.3 Å²	136.3	71%	0.706	79%	0.79	S	S	*	*			trans	-85.1	155.8	178.8	50.7	0	0	0	0	114.1
13	A	26.7	Very low	28.8	Very low	83 Å²	83	133 Å²	133	69%	0.686	79%	0.787	S	S	*	*			trans	79.5	164.7	144.5	0	0	0	0	0	119.7
14	W	25.7	Very low	28.6	Very low	245 Å²	245	129.1 Å²	129.1	93%	0.928	78%	0.783	S	S	*	*			trans	85.5	125.7	176.2	-53.3	77.5	0	0	0	114.1
15	S	26	Very low	28.3	Very low	101 Å²	101	129.2 Å²	129.2	71%	0.706	79%	0.791	S	S	*	*			cis	179.8	131.5	2.7	33.2	0	0	0	0	106.7
16	V	27.3	Very low	28.2	Very low	139 Å²	139	128.8 Å²	128.8	84%	0.842	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-88.3	133.9	168.3	177	0	0	0	0	107.9
17	P	26.9	Very low	28.3	Very low	121 Å²	121	130 Å²	130	79%	0.786	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-76.6	132.8	175.4	-3	19.8	0	0	0	110.9
18	T	25.3	Very low	28.4	Very low	138 Å²	138	133.8 Å²	133.8	85%	0.847	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-72.6	136.3	169.9	37.2	0	0	0	0	111.5
19	S	26.2	Very low	28.6	Very low	121 Å²	121	127.2 Å²	127.2	85%	0.846	79%	0.793	S	S	*	*			trans	-121.3	124.3	154.1	53.6	0	0	0	0	109
20	S	29.1	Very low	28.8	Very low	113 Å²	113	126.9 Å²	126.9	79%	0.79	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-94.1	161.5	172.7	-58.1	0	0	0	0	110
21	P	33.4	Very low	29.1	Very low	116 Å²	116	123 Å²	123	75%	0.753	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-101.7	172.7	-148	39.3	-34.6	0	0	0	113.7
22	P	28.1	Very low	29.4	Very low	119 Å²	119	119.1 Å²	119.1	77%	0.773	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-100.4	133.3	150.5	30.1	-16.9	0	0	0	112
23	S	27.6	Very low	30.3	Very low	106 Å²	106	118.3 Å²	118.3	74%	0.741	76%	0.762	S	S	*	*			trans	-6.6	132	157.7	50.6	0	0	0	0	121
24	S	28.4	Very low	31.2	Very low	102 Å²	102	120.5 Å²	120.5	71%	0.713	76%	0.757	S	S	*	*			trans	-15.5	136.2	148.9	54.2	0	0	0	0	119.2
25	D	27.4	Very low	32.3	Very low	157 Å²	157	112.5 Å²	112.5	84%	0.84	74%	0.735	S	S	*	*				-149.1	132.4	121.5	-90.9	-28.7	0	0	0	112.1
26	T	31	Very low	33	Very low	132 Å²	132	112.1 Å²	112.1	81%	0.81	72%	0.722	S	S	*	*			trans	-1.7	127.1	168.8	53.8	0	0	0	0	122.5
27	A	28.1	Very low	34	Very low	110 Å²	110	112.8 Å²	112.8	91%	0.909	71%	0.71	S	S	*	*			trans	-156.2	136.6	140.6	0	0	0	0	0	111.6
28	D	29.9	Very low	34.6	Very low	170 Å²	170	109.1 Å²	109.1	91%	0.909	69%	0.687	S	S	*	*			trans	-64.8	152	-166.5	-101.6	-41.6	0	0	0	117.2
29	S	30.8	Very low	35.6	Very low	101 Å²	101	107.7 Å²	107.7	71%	0.706	67%	0.669	S	S	*	*			trans	-90.7	124.3	-169.6	64.8	0	0	0	0	115.1
30	S	38.9	Very low	36.5	Very low	108 Å²	108	108.1 Å²	108.1	76%	0.755	66%	0.658	S	S	*	*	S	Bend	trans	-101.9	-6	162.3	62.8	0	0	0	0	113.6	S33	S30-S33 PolarHBondContact O-OG 3.42Å
31	A	39	Very low	36.8	Very low	75 Å²	75	107.2 Å²	107.2	62%	0.62	64%	0.643	S	S	*	*	S	Bend	trans	-86.6	-19.4	-179.5	0	0	0	0	0	114
32	G	34.5	Very low	37.1	Very low	43 Å²	43	106.7 Å²	106.7	44%	0.443	63%	0.633	S	S	.	*	H	α-helix	trans	-73.9	-28.5	-177.8	0	0	0	0	0	114.3	E36	G32-E36 PolarHBondContact O-N 3.4Å
33	S	46	Very low	37.5	Very low	84 Å²	84	104 Å²	104	59%	0.587	62%	0.62	S	S	*	*	H	α-helix	trans	-74.8	-33.1	-178.8	59.8	0	0	0	0	113	S30 E36 W37	S30-S33 PolarHBondContact O-OG 3.42Å; S33-E36 PolarHBondContact O-N 3.39Å; S33-W37 WeakPolarHBondContact O-CB 3.29Å; S33-W37 PolarHBondContact O-N 3.44Å
34	H	45	Very low	37.9	Very low	129 Å²	129	102 Å²	102	60%	0.597	61%	0.61	S	S	*	*	H	α-helix	trans	-67.8	-39.3	179.1	-174.1	-93.7	0	0	0	112.3	E36 C38	H34-E36 VanDerWaalsContact C-N 3.34Å; H34-C38 PolarHBondContact O-N 3.3Å; H34-C38 VanDerWaalsContact O-N 3.12Å; H34-C38 PolarHBondContact O-SG 3.33Å
35	V	48.6	Very low	38.4	Very low	77 Å²	77	102.6 Å²	102.6	47%	0.467	61%	0.61	S	S	.	*	H	α-helix	trans	-67.5	-37.9	177.1	175.6	0	0	0	0	111	K39	V35-K39 WeakPolarHBondContact O-CG 3.41Å; V35-K39 PolarHBondContact O-N 3.08Å; V35-K39 VanDerWaalsContact O-N 3.14Å
36	E	42.2	Very low	38.7	Very low	93 Å²	93	101.4 Å²	101.4	44%	0.435	60%	0.603	S	S	.	*	H	α-helix	trans	-75.3	-33.5	-178.5	-142.2	56.3	-152.6	0	0	112.3	G32 S33 H34 K39 Q40	G32-E36 PolarHBondContact O-N 3.4Å; S33-E36 PolarHBondContact O-N 3.39Å; H34-E36 VanDerWaalsContact C-N 3.34Å; E36-K39 PolarHBondContact O-N 3.3Å; E36-K39 IonicContact OE1-NZ 2.76Å; E36-K39 WeakPolarHBondContact OE2-CD 3.43Å; E36-K39 IonicContact OE2-NZ 3.99Å; E36-K39 PolarHBondContact OE2-NZ 3.42Å; E36-Q40 WeakPolarHBondContact O-CG 3.36Å; E36-Q40 PolarHBondContact O-N 3.24Å; E36-Q40 VanDerWaalsContact O-N 3.16Å
37	W	47.9	Very low	38.7	Very low	153 Å²	153	99.5 Å²	99.5	58%	0.58	60%	0.595	S	S	*	*	H	α-helix	trans	-65.2	-43.1	171.3	-172.3	83.3	0	0	0	112.3	S33 K39 Q40 L41	S33-W37 WeakPolarHBondContact O-CB 3.29Å; S33-W37 PolarHBondContact O-N 3.44Å; W37-K39 VanDerWaalsContact C-N 3.35Å; W37-K39 PolarHBondContact O-N 3.27Å; W37-Q40 PolarHBondContact O-N 2.95Å; W37-L41 HydrophobicContact CH2-CD1 4.44Å; W37-L41 HydrophobicContact CH2-CD2 4.24Å; W37-L41 HydrophobicContact CZ2-CD1 4.32Å; W37-L41 HydrophobicContact CZ3-CD2 4.36Å; W37-L41 PolarHBondContact O-N 3.28Å; W37-L41 VanDerWaalsContact O-N 3.1Å
38	C	40.1	Very low	38.8	Very low	45 Å²	45	101.2 Å²	101.2	30%	0.304	59%	0.589	S	S	.	*	H	α-helix	trans	-62.9	-38	175.5	-70.6	0	0	0	0	112.8	H34 L41 I42	H34-C38 PolarHBondContact O-N 3.3Å; H34-C38 VanDerWaalsContact O-N 3.12Å; H34-C38 PolarHBondContact O-SG 3.33Å; C38-L41 PolarHBondContact O-N 3.16Å; C38-I42 VanDerWaalsContact O-CG1 3.31Å; C38-I42 WeakPolarHBondContact O-CG1 3.42Å; C38-I42 PolarHBondContact O-N 3.49Å; C38-I42 VanDerWaalsContact O-N 3.15Å
39	K	45.6	Very low	38.8	Very low	108 Å²	108	101.8 Å²	101.8	47%	0.47	59%	0.586	S	S	.	*	H	α-helix	trans	-64.5	-40.2	175.8	-73.3	172.6	-170.6	162.8	0	112.2	V35 E36 W37 I42 A43	V35-K39 WeakPolarHBondContact O-CG 3.41Å; V35-K39 PolarHBondContact O-N 3.08Å; V35-K39 VanDerWaalsContact O-N 3.14Å; E36-K39 PolarHBondContact O-N 3.3Å; E36-K39 IonicContact OE1-NZ 2.76Å; E36-K39 WeakPolarHBondContact OE2-CD 3.43Å; E36-K39 IonicContact OE2-NZ 3.99Å; E36-K39 PolarHBondContact OE2-NZ 3.42Å; W37-K39 VanDerWaalsContact C-N 3.35Å; W37-K39 PolarHBondContact O-N 3.27Å; K39-I42 PolarHBondContact O-N 3Å; K39-A43 WeakPolarHBondContact O-CB 3.31Å; K39-A43 PolarHBondContact O-N 3.44Å
40	Q	44.1	Very low	38.7	Very low	130 Å²	130	103.2 Å²	103.2	61%	0.607	59%	0.59	S	S	*	*	H	α-helix	trans	-67.5	-36.9	178.4	-72	178.9	-0.1	0	0	112.2	E36 W37 A43 A44	E36-Q40 WeakPolarHBondContact O-CG 3.36Å; E36-Q40 PolarHBondContact O-N 3.24Å; E36-Q40 VanDerWaalsContact O-N 3.16Å; W37-Q40 PolarHBondContact O-N 2.95Å; Q40-A43 PolarHBondContact O-N 3.42Å; Q40-A44 WeakPolarHBondContact O-CB 3.45Å; Q40-A44 PolarHBondContact O-N 2.99Å
41	L	36.4	Very low	38.2	Very low	93 Å²	93	103.8 Å²	103.8	49%	0.487	59%	0.592	S	S	.	*	H	α-helix	trans	-66.8	-39.4	176.5	-153.9	80.6	0	0	0	112.2	W37 C38 T45	W37-L41 HydrophobicContact CH2-CD1 4.44Å; W37-L41 HydrophobicContact CH2-CD2 4.24Å; W37-L41 HydrophobicContact CZ2-CD1 4.32Å; W37-L41 HydrophobicContact CZ3-CD2 4.36Å; W37-L41 PolarHBondContact O-N 3.28Å; W37-L41 VanDerWaalsContact O-N 3.1Å; C38-L41 PolarHBondContact O-N 3.16Å; L41-T45 PolarHBondContact O-N 3.25Å; L41-T45 PolarHBondContact O-OG1 3.15Å
42	I	40.6	Very low	37.6	Very low	106 Å²	106	111.9 Å²	111.9	54%	0.544	61%	0.606	S	S	.	*	H	α-helix	trans	-68.1	-41.7	176.1	-66.6	167.1	0	0	0	110.6	C38 K39 A44 T45 L46	C38-I42 VanDerWaalsContact O-CG1 3.31Å; C38-I42 WeakPolarHBondContact O-CG1 3.42Å; C38-I42 PolarHBondContact O-N 3.49Å; C38-I42 VanDerWaalsContact O-N 3.15Å; K39-I42 PolarHBondContact O-N 3Å; I42-A44 PolarHBondContact O-N 2.78Å; I42-T45 PolarHBondContact O-N 3.28Å; I42-L46 HydrophobicContact CG2-CD1 3.96Å; I42-L46 PolarHBondContact O-N 3.32Å
43	A	34.8	Very low	37.3	Very low	61 Å²	61	116.5 Å²	116.5	50%	0.504	63%	0.626	S	S	.	*	H	α-helix	trans	-64.4	-38.2	177.3	0	0	0	0	0	112.8	K39 Q40 T45 L46	K39-A43 WeakPolarHBondContact O-CB 3.31Å; K39-A43 PolarHBondContact O-N 3.44Å; Q40-A43 PolarHBondContact O-N 3.42Å; A43-T45 VanDerWaalsContact C-N 3.29Å; A43-T45 PolarHBondContact O-N 3.15Å; A43-L46 PolarHBondContact O-N 3.31Å
44	A	36.4	Very low	36.3	Very low	64 Å²	64	117.2 Å²	117.2	53%	0.529	64%	0.637	S	S	.	*	H	α-helix	trans	-66.4	-30.4	176.2	0	0	0	0	0	112.7	Q40 I42	Q40-A44 WeakPolarHBondContact O-CB 3.45Å; Q40-A44 PolarHBondContact O-N 2.99Å; I42-A44 PolarHBondContact O-N 2.78Å
45	T	39.2	Very low	35.6	Very low	115 Å²	115	116.9 Å²	116.9	71%	0.706	65%	0.646	S	S	*	*	H	α-helix	trans	-78.9	-23.7	-179.3	-46.7	0	0	0	0	112.5	L41 I42 A43	L41-T45 PolarHBondContact O-N 3.25Å; L41-T45 PolarHBondContact O-OG1 3.15Å; I42-T45 PolarHBondContact O-N 3.28Å; A43-T45 VanDerWaalsContact C-N 3.29Å; A43-T45 PolarHBondContact O-N 3.15Å
46	L	32.9	Very low	34.6	Very low	132 Å²	132	118.4 Å²	118.4	69%	0.691	66%	0.658	S	S	*	*	H	α-helix	trans	-90.7	-12.3	-177.3	-71.9	167	0	0	0	114.6	I42 A43	I42-L46 HydrophobicContact CG2-CD1 3.96Å; I42-L46 PolarHBondContact O-N 3.32Å; A43-L46 PolarHBondContact O-N 3.31Å
47	S	31.7	Very low	33.7	Very low	92 Å²	92	122.1 Å²	122.1	64%	0.643	68%	0.68	S	S	*	*			trans	-94.1	-3.7	-173.2	83.4	0	0	0	0	116.5	Q49	S47-Q49 PolarHBondContact O-N 3.3Å; S47-Q49 VanDerWaalsContact O-N 3.08Å
48	N	31.2	Very low	33	Very low	147 Å²	147	120.6 Å²	120.6	79%	0.786	69%	0.688	S	S	*	*			trans	-87.1	73.1	174.8	-94.4	-12.6	0	0	0	111.8
49	Q	29.7	Very low	32.4	Very low	182 Å²	182	126 Å²	126	85%	0.85	71%	0.713	S	S	*	*			trans	-100.2	110.1	158.8	-68.9	-169.4	4.5	0	0	109.1	S47	S47-Q49 PolarHBondContact O-N 3.3Å; S47-Q49 VanDerWaalsContact O-N 3.08Å
50	V	28.9	Very low	31.5	Very low	130 Å²	130	127.8 Å²	127.8	79%	0.788	73%	0.727	S	S	*	*			trans	-105.3	140.5	163.9	177.2	0	0	0	0	108.2
51	P	27.8	Very low	30.7	Very low	121 Å²	121	132.2 Å²	132.2	79%	0.786	74%	0.739	S	S	*	*			trans	-78.2	148.8	-158.9	-10.2	27.5	0	0	0	114.2
52	R	26.7	Very low	30.3	Very low	245 Å²	245	134.9 Å²	134.9	93%	0.925	75%	0.753	S	S	*	*			trans	-81.1	131	170.2	-78.7	177.3	168.8	176	-3.1	111.6
53	T	26.8	Very low	29.7	Very low	140 Å²	140	134.4 Å²	134.4	86%	0.859	76%	0.756	S	S	*	*			trans	-151.1	130.3	151.2	43	0	0	0	0	112.9
54	A	26.2	Very low	29.3	Very low	99 Å²	99	141.2 Å²	141.2	82%	0.818	77%	0.768	S	S	*	*			trans	88.6	150.3	155.3	0	0	0	0	0	120
55	P	29.3	Very low	29	Very low	121 Å²	121	142 Å²	142	79%	0.786	77%	0.766	S	S	*	*				-100.6	175	-128.8	39.4	-31.9	0	0	0	115.4
56	P	27.4	Very low	28.4	Very low	110 Å²	110	138.8 Å²	138.8	71%	0.714	75%	0.748	S	S	*	*			trans	-91.5	118	-166.9	34	-27.7	0	0	0	112.6	V58	P56-V58 HydrophobicContact CB-CG2 4.38Å; P56-V58 PolarHBondContact O-N 3.29Å
57	D	23.6	Very low	28.2	Very low	171 Å²	171	141.1 Å²	141.1	91%	0.914	75%	0.748	S	S	*	*			trans	-82.5	103.8	157.8	-98.4	-29.1	0	0	0	109.4	L59	D57-L59 PolarHBondContact O-N 2.83Å
58	V	33.7	Very low	28	Very low	121 Å²	121	145.8 Å²	145.8	73%	0.733	75%	0.752	S	S	*	*			trans	-85.7	85	175.4	179	0	0	0	0	108.1	P56	P56-V58 HydrophobicContact CB-CG2 4.38Å; P56-V58 PolarHBondContact O-N 3.29Å
59	L	28.1	Very low	28.1	Very low	158 Å²	158	141.8 Å²	141.8	83%	0.827	73%	0.73	S	S	*	*	S	Bend	trans	177.6	86.2	153	-127.4	73	0	0	0	110.1	D57	D57-L59 PolarHBondContact O-N 2.83Å
60	N	26.3	Very low	28.2	Very low	145 Å²	145	134.7 Å²	134.7	78%	0.775	70%	0.7	S	S	*	*	S	Bend	trans	174	10.1	152.3	-106.7	-29	0	0	0	116.3
61	R	26.2	Very low	28.2	Very low	224 Å²	224	131.2 Å²	131.2	85%	0.845	69%	0.685	S	S	*	*	S	Bend	trans	-84.3	-14.4	-174.1	-121.9	177.4	176.2	-173.4	-1.7	115.3	T63	R61-T63 PolarHBondContact O-N 2.9Å
62	D	28.9	Very low	28.7	Very low	149 Å²	149	129.2 Å²	129.2	80%	0.797	66%	0.662	S	S	*	*	H	α-helix	trans	-72.9	-24.8	-174.4	-72.2	-28.3	0	0	0	114.4
63	T	27.3	Very low	29	Very low	96 Å²	96	119.5 Å²	119.5	59%	0.589	63%	0.628	S	S	*	*	H	α-helix	trans	-82.2	-23.1	-176.2	41.9	0	0	0	0	114.1	R61	R61-T63 PolarHBondContact O-N 2.9Å
64	R	26.5	Very low	29.6	Very low	203 Å²	203	119.3 Å²	119.3	77%	0.766	61%	0.612	S	S	*	*	H	α-helix	trans	-83.9	-26.3	177.7	-80.7	-174.1	178.7	-176.7	0.7	113.8
65	V	29.9	Very low	29.9	Very low	81 Å²	81	117.8 Å²	117.8	49%	0.491	59%	0.594	S	S	.	*	H	α-helix	trans	-70.4	-38.4	174.6	-179.1	0	0	0	0	110	R67 R68 L69	V65-R67 VanDerWaalsContact C-N 3.31Å; V65-R67 PolarHBondContact O-N 2.83Å; V65-R68 PolarHBondContact O-N 3.19Å; V65-R68 VanDerWaalsContact O-N 3.15Å; V65-L69 HydrophobicContact CG1-CD1 4.15Å; V65-L69 HydrophobicContact CG1-CG 4.44Å; V65-L69 WeakPolarHBondContact O-CG 3.38Å; V65-L69 PolarHBondContact O-N 3.17Å
66	S	27.8	Very low	30.2	Very low	47 Å²	47	115 Å²	115	33%	0.329	58%	0.581	S	S	.	*	H	α-helix	trans	-58.6	-35	175.1	-128.3	0	0	0	0	114.6	R68 L69	S66-R68 VanDerWaalsContact C-N 3.27Å; S66-R68 PolarHBondContact O-N 2.98Å; S66-L69 PolarHBondContact O-N 3.32Å
67	R	27.8	Very low	30.8	Very low	181 Å²	181	110.5 Å²	110.5	68%	0.683	55%	0.551	S	S	*	*	H	α-helix	trans	-64.3	-28.9	177.5	-80.2	-173.4	-179.3	178.5	1.2	114	V65	V65-R67 VanDerWaalsContact C-N 3.31Å; V65-R67 PolarHBondContact O-N 2.83Å
68	R	28.6	Very low	31.3	Very low	191 Å²	191	104.5 Å²	104.5	72%	0.721	53%	0.529	S	S	*	.	H	α-helix	trans	-82.4	-39.2	176	-76	-174.4	176.2	-173.6	-2.5	110.3	V65 S66 S70 A71 W72	V65-R68 PolarHBondContact O-N 3.19Å; V65-R68 VanDerWaalsContact O-N 3.15Å; S66-R68 VanDerWaalsContact C-N 3.27Å; S66-R68 PolarHBondContact O-N 2.98Å; R68-S70 PolarHBondContact O-N 2.84Å; R68-A71 WeakPolarHBondContact O-CB 3.42Å; R68-A71 PolarHBondContact O-N 2.85Å; R68-W72 VanDerWaalsContact C-CD1 3.46Å; R68-W72 PolarHBondContact O-NE1 3.03Å
69	L	32.3	Very low	31.3	Very low	63 Å²	63	103.5 Å²	103.5	33%	0.33	52%	0.515	S	S	.	.	H	α-helix	trans	-54	-21.8	-172	-70.4	168.9	0	0	0	115.5	V65 S66 W72	V65-L69 HydrophobicContact CG1-CD1 4.15Å; V65-L69 HydrophobicContact CG1-CG 4.44Å; V65-L69 WeakPolarHBondContact O-CG 3.38Å; V65-L69 PolarHBondContact O-N 3.17Å; S66-L69 PolarHBondContact O-N 3.32Å; L69-W72 VanDerWaalsContact C-CD1 3.44Å
70	S	31.6	Very low	31.5	Very low	32 Å²	32	99 Å²	99	22%	0.224	51%	0.506	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-15.7	175.7	62.7	0	0	0	0	115.3	R68 S136	R68-S70 PolarHBondContact O-N 2.84Å; S70-S136 VanDerWaalsContact CB-O 3.24Å; S70-S136 WeakPolarHBondContact CB-O 3.3Å
71	A	29.5	Very low	31.5	Very low	57 Å²	57	96.4 Å²	96.4	47%	0.471	51%	0.506	S	S	.	.	S	Bend	trans	-82.6	-14.5	179.1	0	0	0	0	0	113.8	R68 R74	R68-A71 WeakPolarHBondContact O-CB 3.42Å; R68-A71 PolarHBondContact O-N 2.85Å; A71-R74 PolarHBondContact O-N 2.77Å
72	W	38.3	Very low	31.9	Very low	80 Å²	80	92.8 Å²	92.8	30%	0.303	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-12.4	-167.5	-53.6	76.3	0	0	0	114.3	R68 L69 R74 Q602 P604	R68-W72 VanDerWaalsContact C-CD1 3.46Å; R68-W72 PolarHBondContact O-NE1 3.03Å; L69-W72 VanDerWaalsContact C-CD1 3.44Å; W72-R74 VanDerWaalsContact C-N 3.34Å; W72-Q602 WeakPolarHBondContact CH2-O 3.32Å; W72-P604 HydrophobicContact CE3-CB 4.13Å; W72-P604 HydrophobicContact CE3-CG 4.2Å; W72-P604 HydrophobicContact CH2-CB 3.87Å; W72-P604 HydrophobicContact CH2-CG 3.24Å; W72-P604 VanDerWaalsContact CH2-N 3.29Å; W72-P604 HydrophobicContact CZ2-CG 4.04Å; W72-P604 HydrophobicContact CZ3-CB 3.35Å; W72-P604 HydrophobicContact CZ3-CG 3.29Å; W72-P604 VanDerWaalsContact CZ3-N 3.31Å
73	N	33.8	Very low	32.3	Very low	41 Å²	41	90.5 Å²	90.5	22%	0.219	49%	0.493	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	11.5	170.8	-79.2	-10	0	0	0	112	P75 I138	N73-P75 WeakPolarHBondContact O-CD 3.28Å; N73-I138 PolarHBondContact ND2-O 2.92Å
74	R	37.7	Very low	32.5	Very low	135 Å²	135	95.9 Å²	95.9	51%	0.509	51%	0.508	S	S	.	.			trans	-82.8	106.5	165.6	-68.7	-173	-173.6	-130.6	0.6	107.4	A71 W72 A76	A71-R74 PolarHBondContact O-N 2.77Å; W72-R74 VanDerWaalsContact C-N 3.34Å; R74-A76 PolarHBondContact O-N 3.42Å; R74-A76 VanDerWaalsContact O-N 3.14Å
75	P	33.5	Very low	33.5	Very low	68 Å²	68	89.1 Å²	89.1	44%	0.442	49%	0.487	S	S	.	.			trans	-61.9	116.4	142.5	35.5	-34.1	0	0	0	103.5	N73 L77	N73-P75 WeakPolarHBondContact O-CD 3.28Å; P75-L77 HydrophobicContact CB-CD1 3.76Å; P75-L77 HydrophobicContact CB-CD2 4.31Å; P75-L77 HydrophobicContact CB-CG 3.66Å; P75-L77 HydrophobicContact CG-CD1 3.51Å; P75-L77 HydrophobicContact CG-CG 3.88Å; P75-L77 PolarHBondContact O-N 3.43Å
76	A	34.8	Very low	34.3	Very low	62 Å²	62	88.2 Å²	88.2	51%	0.512	49%	0.485	S	S	.	.			trans	-68.9	66.1	176	0	0	0	0	0	108.6	R74 G78 Y555	R74-A76 PolarHBondContact O-N 3.42Å; R74-A76 VanDerWaalsContact O-N 3.14Å; A76-G78 PolarHBondContact O-N 3.5Å; A76-G78 VanDerWaalsContact O-N 3.08Å; A76-Y555 PolarHBondContact O-OH 2.96Å
77	L	40.4	Very low	35.4	Very low	16 Å²	16	92.8 Å²	92.8	8%	0.084	50%	0.501	C	S	.	.			trans	-84.6	37.2	-175.9	-66.2	170.7	0	0	0	111.1	P75 L93 Y124 L528	P75-L77 HydrophobicContact CB-CD1 3.76Å; P75-L77 HydrophobicContact CB-CD2 4.31Å; P75-L77 HydrophobicContact CB-CG 3.66Å; P75-L77 HydrophobicContact CG-CD1 3.51Å; P75-L77 HydrophobicContact CG-CG 3.88Å; P75-L77 PolarHBondContact O-N 3.43Å; L77-L93 HydrophobicContact CB-CD1 4.5Å; L77-L93 HydrophobicContact CB-CD2 3.58Å; L77-L93 HydrophobicContact CD1-CD1 4.14Å; L77-L93 WeakPolarHBondContact O-CD2 3.24Å; L77-Y124 HydrophobicContact CD1-CE1 4.37Å; L77-L528 HydrophobicContact CD1-CD2 4.2Å; L77-L528 HydrophobicContact CD2-CD2 3.78Å
78	G	35.2	Very low	36.7	Very low	44 Å²	44	89 Å²	89	45%	0.454	49%	0.494	S	S	.	.			trans	-135.4	111.8	173.6	0	0	0	0	0	108.9	A76 G80	A76-G78 PolarHBondContact O-N 3.5Å; A76-G78 VanDerWaalsContact O-N 3.08Å; G78-G80 VanDerWaalsContact C-N 3.33Å; G78-G80 PolarHBondContact O-N 3.44Å; G78-G80 VanDerWaalsContact O-N 3.09Å
79	F	31.9	Very low	38.8	Very low	100 Å²	100	85.2 Å²	85.2	44%	0.439	48%	0.484	S	S	.	.	S	Bend	trans	-74.6	90	163.2	-169.3	-98	0	0	0	108.1	E211 F213 P214 S558	F79-E211 PolarHBondContact N-OE1 3.1Å; F79-F213 HydrophobicContact CB-CD1 4.25Å; F79-F213 HydrophobicContact CB-CE1 3.96Å; F79-F213 HydrophobicContact CG-CD1 4.45Å; F79-P214 HydrophobicContact CE1-CG 4.17Å; F79-P214 HydrophobicContact CE2-CG 4.34Å; F79-P214 HydrophobicContact CZ-CG 3.8Å; F79-S558 WeakPolarHBondContact CE2-O 3.37Å
80	G	34.1	Very low	41.3	Very low	63 Å²	63	83.3 Å²	83.3	65%	0.649	48%	0.475	S	S	*	.	S	Bend	trans	144.1	170.7	-178.6	0	0	0	0	0	114.5	G78	G78-G80 VanDerWaalsContact C-N 3.33Å; G78-G80 PolarHBondContact O-N 3.44Å; G78-G80 VanDerWaalsContact O-N 3.09Å
81	A	26	Very low	44.1	Very low	92 Å²	92	83.7 Å²	83.7	76%	0.76	48%	0.477	S	S	*	.			trans	-46.2	136.8	-168.1	0	0	0	0	0	114.5	V83	A81-V83 PolarHBondContact O-N 3.43Å
82	L	34.7	Very low	47.1	Very low	147 Å²	147	85.1 Å²	85.1	77%	0.77	48%	0.476	S	S	*	.			trans	-48.8	96.5	166.9	-101.1	138.5	0	0	0	110	K84	L82-K84 PolarHBondContact O-N 3.14Å; L82-K84 VanDerWaalsContact O-N 3.1Å
83	V	36	Very low	49.8	Very low	102 Å²	102	82.1 Å²	82.1	62%	0.618	47%	0.466	S	S	*	.			trans	-64.1	115.9	171	-178.7	0	0	0	0	106.6	A81 L85	A81-V83 PolarHBondContact O-N 3.43Å; V83-L85 HydrophobicContact CG1-CD2 4.18Å; V83-L85 HydrophobicContact CG1-CG 4.26Å; V83-L85 PolarHBondContact O-N 3.12Å
84	K	32.4	Very low	52.7	Low	208 Å²	208	82.9 Å²	82.9	90%	0.904	47%	0.473	S	S	*	.			trans	-65.5	87.5	166.4	-80.2	-177.6	177.2	176.9	0	107.6	L82	L82-K84 PolarHBondContact O-N 3.14Å; L82-K84 VanDerWaalsContact O-N 3.1Å
85	L	47	Very low	55.4	Low	61 Å²	61	78 Å²	78	32%	0.319	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-67.8	140.5	172.5	-69.7	162.5	0	0	0	109.2	V83 Q89 P91	V83-L85 HydrophobicContact CG1-CD2 4.18Å; V83-L85 HydrophobicContact CG1-CG 4.26Å; V83-L85 PolarHBondContact O-N 3.12Å; L85-Q89 HydrophobicContact CD2-CB 4.24Å; L85-P91 HydrophobicContact CD1-CB 3.62Å; L85-P91 HydrophobicContact CD1-CG 3.48Å; L85-P91 VanDerWaalsContact CD1-CG 3.48Å
86	S	46	Very low	58.4	Low	63 Å²	63	75.2 Å²	75.2	44%	0.441	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-68.5	160.2	171.5	62.9	0	0	0	0	110.6	N88 Q89	S86-N88 PolarHBondContact O-N 3.03Å; S86-Q89 PolarHBondContact O-N 2.97Å; S86-Q89 VanDerWaalsContact OG-CG 3.25Å; S86-Q89 WeakPolarHBondContact OG-CG 3.47Å; S86-Q89 PolarHBondContact OG-NE2 2.71Å; S86-Q89 PolarHBondContact OG-OE1 2.94Å
87	H	51	Low	61.3	Low	143 Å²	143	75.6 Å²	75.6	66%	0.662	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	128.3	173.7	-121.1	57.7	0	0	0	109.2	S131	H87-S131 PolarHBondContact NE2-OG 3.12Å
88	N	55.7	Low	63.9	Low	101 Å²	101	78 Å²	78	54%	0.54	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	13.9	-178.8	-53.9	-21	0	0	0	118	S86	S86-N88 PolarHBondContact O-N 3.03Å
89	Q	73.1	Confident	66.8	Low	112 Å²	112	79.2 Å²	79.2	52%	0.523	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-93.1	127.1	168.6	-77.2	-177.2	-9.2	0	0	111.9	L85 S86	L85-Q89 HydrophobicContact CD2-CB 4.24Å; S86-Q89 PolarHBondContact O-N 2.97Å; S86-Q89 VanDerWaalsContact OG-CG 3.25Å; S86-Q89 WeakPolarHBondContact OG-CG 3.47Å; S86-Q89 PolarHBondContact OG-NE2 2.71Å; S86-Q89 PolarHBondContact OG-OE1 2.94Å
90	V	84.1	Confident	69.7	Low	22 Å²	22	75 Å²	75	13%	0.133	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-68.2	127.2	169.9	57.6	0	0	0	0	109.1	L92 V98 T120 T122 Y127	V90-L92 HydrophobicContact CG1-CD2 3.86Å; V90-L92 HydrophobicContact CG1-CG 4.25Å; V90-L92 HydrophobicContact CG2-CD2 4.32Å; V90-L92 PolarHBondContact O-N 3.39Å; V90-V98 HydrophobicContact CG1-CG2 3.81Å; V90-T120 HydrophobicContact CB-CG2 4.1Å; V90-T120 HydrophobicContact CG1-CG2 3.78Å; V90-T120 HydrophobicContact CG2-CG2 4.38Å; V90-T122 HydrophobicContact CG2-CG2 4.41Å; V90-Y127 HydrophobicContact CB-CD1 3.97Å; V90-Y127 HydrophobicContact CB-CE1 4.45Å; V90-Y127 HydrophobicContact CB-CG 4.5Å; V90-Y127 HydrophobicContact CG2-CD1 3.79Å; V90-Y127 HydrophobicContact CG2-CE1 4.45Å; V90-Y127 HydrophobicContact CG2-CG 3.82Å
91	P	90.2	Very high	72.6	Confident	40 Å²	40	74.8 Å²	74.8	26%	0.26	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-61.8	127.4	168.7	-10.6	21	0	0	0	108.6	L85 K125 Y127	L85-P91 HydrophobicContact CD1-CB 3.62Å; L85-P91 HydrophobicContact CD1-CG 3.48Å; L85-P91 VanDerWaalsContact CD1-CG 3.48Å; P91-K125 VanDerWaalsContact O-CE 3.31Å; P91-K125 WeakPolarHBondContact O-CE 3.43Å; P91-K125 PolarHBondContact O-NZ 2.98Å; P91-Y127 HydrophobicContact CG-CE2 4.35Å
92	L	92.8	Very high	75.7	Confident	88 Å²	88	70.8 Å²	70.8	46%	0.461	39%	0.386	S	S	.	.			trans	-109.1	134.9	177	-64.4	177.3	0	0	0	110.5	V90 E96 V98 T122	V90-L92 HydrophobicContact CG1-CD2 3.86Å; V90-L92 HydrophobicContact CG1-CG 4.25Å; V90-L92 HydrophobicContact CG2-CD2 4.32Å; V90-L92 PolarHBondContact O-N 3.39Å; L92-E96 WeakPolarHBondContact CA-OE2 3.48Å; L92-E96 HydrophobicContact CB-CB 4.36Å; L92-E96 HydrophobicContact CD2-CB 4.29Å; L92-E96 HydrophobicContact CD2-CG 3.91Å; L92-V98 HydrophobicContact CD1-CG2 4.28Å; L92-V98 HydrophobicContact CD2-CG2 4Å; L92-T122 HydrophobicContact CD2-CG2 3.84Å
93	L	94.7	Very high	78.3	Confident	17 Å²	17	70.6 Å²	70.6	9%	0.089	38%	0.379	C	S	.	.			trans	-75.3	156	168.8	-58.6	-180	0	0	0	110.5	L77 G95 E96 Y124 F205 Y209 L528	L77-L93 HydrophobicContact CB-CD1 4.5Å; L77-L93 HydrophobicContact CB-CD2 3.58Å; L77-L93 HydrophobicContact CD1-CD1 4.14Å; L77-L93 WeakPolarHBondContact O-CD2 3.24Å; L93-G95 PolarHBondContact O-N 2.89Å; L93-E96 HydrophobicContact CB-CB 4.1Å; L93-E96 WeakPolarHBondContact CG-OE2 3.41Å; L93-E96 PolarHBondContact N-OE2 3.32Å; L93-E96 WeakPolarHBondContact O-CB 3.37Å; L93-E96 PolarHBondContact O-N 2.81Å; L93-Y124 HydrophobicContact CD1-CD1 3.77Å; L93-Y124 HydrophobicContact CD1-CE1 3.53Å; L93-F205 HydrophobicContact CD1-CE1 4.31Å; L93-Y209 HydrophobicContact CB-CD2 4.36Å; L93-Y209 HydrophobicContact CB-CE2 4.14Å; L93-Y209 HydrophobicContact CD1-CE2 4.34Å; L93-L528 HydrophobicContact CD1-CD1 3.79Å; L93-L528 HydrophobicContact CD1-CD2 4.3Å
94	P	95.9	Very high	80.8	Confident	57 Å²	57	72 Å²	72	37%	0.37	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	115.4	173	-26.1	35.9	0	0	0	111.8	K210 E211	P94-K210 HydrophobicContact CB-CB 4.12Å; P94-K210 PolarHBondContact O-N 2.83Å; P94-E211 HydrophobicContact CB-CB 4.44Å; P94-E211 HydrophobicContact CG-CB 3.97Å; P94-E211 HydrophobicContact CG-CG 4.31Å
95	G	94.8	Very high	83.7	Confident	32 Å²	32	62 Å²	62	33%	0.33	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.6	-9.8	-176	0	0	0	0	0	114.9	L93	L93-G95 PolarHBondContact O-N 2.89Å
96	E	96.4	Very high	85.9	Confident	10 Å²	10	61.3 Å²	61.3	5%	0.047	34%	0.335	C	S	.	.			trans	-75	134.9	176	-167	176.9	-175.3	0	0	111.6	L92 L93 T122 K125 F205	L92-E96 WeakPolarHBondContact CA-OE2 3.48Å; L92-E96 HydrophobicContact CB-CB 4.36Å; L92-E96 HydrophobicContact CD2-CB 4.29Å; L92-E96 HydrophobicContact CD2-CG 3.91Å; L93-E96 HydrophobicContact CB-CB 4.1Å; L93-E96 WeakPolarHBondContact CG-OE2 3.41Å; L93-E96 PolarHBondContact N-OE2 3.32Å; L93-E96 WeakPolarHBondContact O-CB 3.37Å; L93-E96 PolarHBondContact O-N 2.81Å; E96-T122 HydrophobicContact CG-CG2 4.03Å; E96-T122 VanDerWaalsContact OE1-CB 3.28Å; E96-T122 WeakPolarHBondContact OE1-CB 3.33Å; E96-T122 VanDerWaalsContact OE1-CG2 3.28Å; E96-T122 WeakPolarHBondContact OE1-CG2 3.45Å; E96-T122 PolarHBondContact OE1-OG1 2.83Å; E96-K125 VanDerWaalsContact CD-NZ 3.32Å; E96-K125 WeakPolarHBondContact OE1-CD 3.4Å; E96-K125 WeakPolarHBondContact OE1-CE 3.38Å; E96-K125 WeakPolarHBondContact OE1-CG 3.21Å; E96-K125 IonicContact OE1-NZ 2.87Å; E96-K125 PolarHBondContact OE1-NZ 3.5Å; E96-K125 IonicContact OE2-NZ 3.5Å; E96-K125 PolarHBondContact OE2-NZ 3.45Å; E96-F205 HydrophobicContact CB-CE2 4.05Å; E96-F205 HydrophobicContact CB-CZ 3.75Å; E96-F205 HydrophobicContact CG-CE2 4.39Å; E96-F205 HydrophobicContact CG-CZ 4.3Å
97	T	95.4	Very high	88.2	Confident	70 Å²	70	58.9 Å²	58.9	43%	0.429	32%	0.316	S	S	.	.			trans	-129.6	135.5	-178.1	55.6	0	0	0	0	111.5	Q99 T122 D123	T97-Q99 PolarHBondContact O-N 2.6Å; T97-Q99 PolarHBondContact O-NE2 2.95Å; T97-Q99 PolarHBondContact OG1-NE2 3.1Å; T97-T122 CarbonylContact O-C 3.56Å; T97-T122 WeakPolarHBondContact O-CA 3.28Å; T97-T122 VanDerWaalsContact O-CB 3.27Å; T97-T122 WeakPolarHBondContact O-CB 3.35Å; T97-D123 PolarHBondContact N-OD1 3.03Å; T97-D123 PolarHBondContact O-N 3.09Å; T97-D123 VanDerWaalsContact O-N 3.1Å; T97-D123 PolarHBondContact OG1-OD1 3.41Å; T97-D123 PolarHBondContact OG1-OD2 3.04Å
98	V	95.6	Very high	90.2	Very high	66 Å²	66	54.3 Å²	54.3	40%	0.4	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	127.7	175.9	177.6	0	0	0	0	109.6	V90 L92 T120 T122	V90-V98 HydrophobicContact CG1-CG2 3.81Å; L92-V98 HydrophobicContact CD1-CG2 4.28Å; L92-V98 HydrophobicContact CD2-CG2 4Å; V98-T120 HydrophobicContact CG1-CG2 3.84Å; V98-T120 HydrophobicContact CG2-CG2 4.16Å; V98-T122 HydrophobicContact CG2-CG2 4.34Å
99	Q	95	Very high	91.9	Very high	69 Å²	69	50 Å²	50	32%	0.322	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-43.6	177.7	-53.6	-54.2	-53.1	0	0	111.3	T97 I121 D123 V190 H194	T97-Q99 PolarHBondContact O-N 2.6Å; T97-Q99 PolarHBondContact O-NE2 2.95Å; T97-Q99 PolarHBondContact OG1-NE2 3.1Å; Q99-I121 PolarHBondContact N-O 2.79Å; Q99-D123 HydrophobicContact CG-CB 4.43Å; Q99-V190 HydrophobicContact CB-CG1 3.66Å; Q99-V190 HydrophobicContact CG-CG1 4.41Å; Q99-H194 PolarHBondContact OE1-NE2 2.96Å
100	V	93.8	Very high	92.6	Very high	11 Å²	11	46.8 Å²	46.8	7%	0.067	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	149.2	177.4	66.3	0	0	0	0	110.8	V102 T120 I121 P185 V190	V100-V102 HydrophobicContact CG2-CG2 3.81Å; V100-T120 WeakPolarHBondContact O-CA 3.48Å; V100-I121 HydrophobicContact CG1-CB 3.86Å; V100-I121 HydrophobicContact CG1-CD1 3.76Å; V100-I121 HydrophobicContact CG1-CG1 4.24Å; V100-I121 PolarHBondContact N-O 3.31Å; V100-I121 PolarHBondContact O-N 2.97Å; V100-P185 HydrophobicContact CB-CG 4.28Å; V100-P185 HydrophobicContact CG2-CG 4.01Å; V100-V190 HydrophobicContact CG1-CB 4.33Å; V100-V190 HydrophobicContact CG1-CG1 4.05Å; V100-V190 HydrophobicContact CG1-CG2 4.26Å
101	T	93.1	Very high	92.8	Very high	60 Å²	60	49 Å²	49	37%	0.368	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	121.7	170.4	-67	0	0	0	0	109.2	T118 L119 T120	T101-T118 HydrophobicContact CG2-CG2 3.57Å; T101-L119 CarbonylContact C-O 3.47Å; T101-L119 WeakPolarHBondContact CA-O 3.4Å; T101-T120 WeakPolarHBondContact OG1-CG2 3.26Å; T101-T120 PolarHBondContact OG1-OG1 3.26Å; T101-T120 VanDerWaalsContact OG1-OG1 3.12Å
102	V	91.1	Very high	92.6	Very high	8 Å²	8	50.7 Å²	50.7	5%	0.048	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	127.3	-175.7	-168.2	0	0	0	0	108.9	V100 V105 T118 L119 I187	V100-V102 HydrophobicContact CG2-CG2 3.81Å; V102-V105 HydrophobicContact CB-CG2 3.84Å; V102-V105 HydrophobicContact CG1-CG2 3.71Å; V102-T118 WeakPolarHBondContact O-CA 3.38Å; V102-L119 PolarHBondContact N-O 3.12Å; V102-L119 PolarHBondContact O-N 3.18Å; V102-I187 HydrophobicContact CB-CD1 4.17Å; V102-I187 HydrophobicContact CG1-CD1 4.19Å; V102-I187 HydrophobicContact CG2-CD1 3.73Å; V102-I187 HydrophobicContact CG2-CG1 3.9Å
103	K	90.4	Very high	92.5	Very high	143 Å²	143	48.1 Å²	48.1	62%	0.622	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.5	167.9	176.8	-66.1	-177.7	-178.5	175.9	0	110.6	V105 T118	K103-V105 PolarHBondContact O-N 3.09Å; K103-T118 HydrophobicContact CG-CG2 4.35Å
104	D	89.3	Confident	92.3	Very high	130 Å²	130	53 Å²	53	70%	0.695	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	55	29.6	175.6	-55.1	-46.7	0	0	0	114	G117	D104-G117 PolarHBondContact N-O 3.37Å
105	V	91.9	Very high	92.1	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	132.9	173.3	178.7	0	0	0	0	108.4	V102 K103 T116 G117 L119 F128 F176	V102-V105 HydrophobicContact CB-CG2 3.84Å; V102-V105 HydrophobicContact CG1-CG2 3.71Å; K103-V105 PolarHBondContact O-N 3.09Å; V105-T116 CarbonylContact O-C 3.17Å; V105-T116 WeakPolarHBondContact O-CA 3.37Å; V105-G117 PolarHBondContact N-O 3.43Å; V105-G117 PolarHBondContact O-N 3.36Å; V105-L119 HydrophobicContact CB-CB 4.1Å; V105-L119 HydrophobicContact CG1-CB 4.24Å; V105-L119 HydrophobicContact CG1-CD2 4.34Å; V105-L119 HydrophobicContact CG2-CB 3.79Å; V105-F128 HydrophobicContact CB-CE2 4.29Å; V105-F128 HydrophobicContact CG1-CE2 4.43Å; V105-F128 WeakPolarHBondContact O-CE2 3.46Å; V105-F176 HydrophobicContact CG1-CB 4.01Å; V105-F176 HydrophobicContact CG1-CD1 3.88Å; V105-F176 HydrophobicContact CG1-CG 4.37Å
106	M	93.1	Very high	92.1	Very high	46 Å²	46	52.6 Å²	52.6	23%	0.227	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	117.6	173.7	-58	-168.6	-64.5	0	0	110.1	I115 F176 T177	M106-I115 CarbonylContact C-O 3.52Å; M106-I115 WeakPolarHBondContact CA-O 3.45Å; M106-F176 CarbonylContact O-C 3.59Å; M106-F176 VanDerWaalsContact O-CA 3.27Å; M106-F176 WeakPolarHBondContact O-CA 3.41Å; M106-T177 WeakPolarHBondContact CB-OG1 3.45Å; M106-T177 VanDerWaalsContact CE-OG1 3.28Å; M106-T177 WeakPolarHBondContact CE-OG1 3.41Å; M106-T177 PolarHBondContact N-O 3.01Å; M106-T177 PolarHBondContact O-N 3.05Å
107	Y	94.2	Very high	91.9	Very high	11 Å²	11	52.6 Å²	52.6	4%	0.043	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	126.8	166.5	172.5	-122.8	0	0	0	109.8	C109 I115 F128 F137 L139 A174 R175 F176	Y107-C109 HydrophobicContact CD1-CB 3.8Å; Y107-C109 VanDerWaalsContact CE1-CA 3.49Å; Y107-C109 HydrophobicContact CE1-CB 3.3Å; Y107-C109 PolarHBondContact O-N 2.87Å; Y107-I115 HydrophobicContact CD1-CB 4.5Å; Y107-I115 HydrophobicContact CD1-CD1 4.3Å; Y107-I115 PolarHBondContact N-O 3.33Å; Y107-I115 PolarHBondContact O-N 2.96Å; Y107-F128 HydrophobicContact CD1-CE1 4.44Å; Y107-F128 HydrophobicContact CG-CE1 4.36Å; Y107-F137 AromaticContact CD1-CE1 3.64Å; Y107-F137 HydrophobicContact CD1-CE1 3.64Å; Y107-F137 AromaticContact CD1-CZ 3.81Å; Y107-F137 HydrophobicContact CD1-CZ 3.81Å; Y107-F137 AromaticContact CE1-CE1 3.8Å; Y107-F137 HydrophobicContact CE1-CE1 3.8Å; Y107-F137 AromaticContact CE1-CZ 3.5Å; Y107-F137 HydrophobicContact CE1-CZ 3.5Å; Y107-F137 VanDerWaalsContact CE1-CZ 3.5Å; Y107-L139 HydrophobicContact CD1-CD2 4.44Å; Y107-L139 HydrophobicContact CD2-CD2 3.83Å; Y107-L139 HydrophobicContact CE1-CD2 4.13Å; Y107-L139 HydrophobicContact CE2-CD2 3.5Å; Y107-L139 HydrophobicContact CG-CD2 4.31Å; Y107-A174 HydrophobicContact CE2-CB 4.23Å; Y107-R175 VanDerWaalsContact CD2-O 3.25Å; Y107-R175 WeakPolarHBondContact CD2-O 3.11Å; Y107-F176 HydrophobicContact CD2-CD1 4.04Å; Y107-F176 AromaticContact CD2-CE1 3.65Å; Y107-F176 HydrophobicContact CD2-CE1 3.65Å; Y107-F176 HydrophobicContact CD2-CE2 4.48Å; Y107-F176 AromaticContact CD2-CZ 3.91Å; Y107-F176 HydrophobicContact CD2-CZ 3.91Å; Y107-F176 HydrophobicContact CE2-CZ 4.48Å; Y107-F176 HydrophobicContact CG-CD1 4.44Å; Y107-F176 HydrophobicContact CG-CE1 4.05Å
108	I	92.9	Very high	91.7	Very high	48 Å²	48	50.4 Å²	50.4	25%	0.246	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	86	175.5	-49.5	175.2	0	0	0	107.6	P110 L114 I152 V154 R175 T177	I108-P110 WeakPolarHBondContact O-CD 3.49Å; I108-L114 HydrophobicContact CB-CD2 4.28Å; I108-L114 HydrophobicContact CG1-CD2 3.81Å; I108-L114 HydrophobicContact CG2-CD2 4.22Å; I108-I152 HydrophobicContact CD1-CD1 4.35Å; I108-V154 HydrophobicContact CD1-CG2 4.03Å; I108-R175 HydrophobicContact CB-CB 4.01Å; I108-R175 HydrophobicContact CD1-CB 4.32Å; I108-R175 HydrophobicContact CG1-CB 4.44Å; I108-R175 PolarHBondContact N-O 2.88Å; I108-T177 HydrophobicContact CD1-CG2 4.03Å
109	C	91.1	Very high	91.7	Very high	9 Å²	9	47.3 Å²	47.3	6%	0.061	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	123.5	178.2	-172.2	0	0	0	0	110	Y107 F111 S112 G113 I115	Y107-C109 HydrophobicContact CD1-CB 3.8Å; Y107-C109 VanDerWaalsContact CE1-CA 3.49Å; Y107-C109 HydrophobicContact CE1-CB 3.3Å; Y107-C109 PolarHBondContact O-N 2.87Å; C109-F111 PolarHBondContact O-N 2.79Å; C109-F111 VanDerWaalsContact O-N 3.14Å; C109-S112 VanDerWaalsContact CB-OG 3.26Å; C109-S112 WeakPolarHBondContact CB-OG 3.4Å; C109-S112 PolarHBondContact SG-N 3.03Å; C109-S112 PolarHBondContact SG-OG 3.48Å; C109-G113 WeakPolarHBondContact CA-O 3.44Å; C109-G113 WeakPolarHBondContact CB-O 3.43Å; C109-G113 PolarHBondContact N-O 2.92Å; C109-G113 WeakPolarHBondContact O-CA 3.46Å; C109-G113 PolarHBondContact O-N 3.14Å; C109-I115 HydrophobicContact CB-CD1 4.24Å
110	P	89.6	Confident	91.7	Very high	46 Å²	46	44.5 Å²	44.5	30%	0.299	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-18	177.4	24.9	-32.5	0	0	0	113.5	I108 Y383 P384	I108-P110 WeakPolarHBondContact O-CD 3.49Å; P110-Y383 HydrophobicContact CG-CE2 4.24Å; P110-Y383 WeakPolarHBondContact CG-OH 3.16Å; P110-P384 HydrophobicContact CB-CB 3.53Å; P110-P384 HydrophobicContact CG-CB 4.22Å
111	F	88.1	Confident	91.8	Very high	68 Å²	68	44 Å²	44	30%	0.298	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-30.4	-174.2	-47.9	-64.1	0	0	0	113.9	C109 Y383 P384 W595 N596 P597	C109-F111 PolarHBondContact O-N 2.79Å; C109-F111 VanDerWaalsContact O-N 3.14Å; F111-Y383 HydrophobicContact CE2-CE2 4.1Å; F111-Y383 HydrophobicContact CZ-CD2 4.17Å; F111-Y383 AromaticContact CZ-CE2 3.81Å; F111-Y383 HydrophobicContact CZ-CE2 3.81Å; F111-P384 VanDerWaalsContact CE1-O 3.27Å; F111-P384 WeakPolarHBondContact CE1-O 3.28Å; F111-W595 WeakPolarHBondContact CE2-O 3.03Å; F111-N596 HydrophobicContact CE1-CB 3.89Å; F111-N596 HydrophobicContact CZ-CB 3.99Å; F111-P597 HydrophobicContact CB-CG 4.08Å; F111-P597 HydrophobicContact CD2-CG 4.21Å; F111-P597 VanDerWaalsContact CG-CD 3.46Å; F111-P597 HydrophobicContact CG-CG 4.14Å
112	S	86.3	Confident	91.9	Very high	75 Å²	75	41.1 Å²	41.1	52%	0.524	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125	5.2	-173	62.3	0	0	0	0	114	C109 I115	C109-S112 VanDerWaalsContact CB-OG 3.26Å; C109-S112 WeakPolarHBondContact CB-OG 3.4Å; C109-S112 PolarHBondContact SG-N 3.03Å; C109-S112 PolarHBondContact SG-OG 3.48Å; S112-I115 WeakPolarHBondContact OG-CD1 3.33Å
113	G	89.2	Confident	92.1	Very high	35 Å²	35	41.2 Å²	41.2	36%	0.361	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	79.6	-154	179.3	0	0	0	0	0	113.7	C109	C109-G113 WeakPolarHBondContact CA-O 3.44Å; C109-G113 WeakPolarHBondContact CB-O 3.43Å; C109-G113 PolarHBondContact N-O 2.92Å; C109-G113 WeakPolarHBondContact O-CA 3.46Å; C109-G113 PolarHBondContact O-N 3.14Å
114	L	91.2	Very high	92.4	Very high	119 Å²	119	35 Å²	35	62%	0.623	20%	0.204	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.6	130.6	-175.5	-63.1	174.8	0	0	0	111.4	I108	I108-L114 HydrophobicContact CB-CD2 4.28Å; I108-L114 HydrophobicContact CG1-CD2 3.81Å; I108-L114 HydrophobicContact CG2-CD2 4.22Å
115	I	92.8	Very high	92.8	Very high	10 Å²	10	29.2 Å²	29.2	5%	0.051	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	118.7	176.3	-60.9	174.8	0	0	0	108.8	M106 Y107 C109 S112 F128 S130 I132 F137	M106-I115 CarbonylContact C-O 3.52Å; M106-I115 WeakPolarHBondContact CA-O 3.45Å; Y107-I115 HydrophobicContact CD1-CB 4.5Å; Y107-I115 HydrophobicContact CD1-CD1 4.3Å; Y107-I115 PolarHBondContact N-O 3.33Å; Y107-I115 PolarHBondContact O-N 2.96Å; C109-I115 HydrophobicContact CB-CD1 4.24Å; S112-I115 WeakPolarHBondContact OG-CD1 3.33Å; I115-F128 HydrophobicContact CB-CE1 4.42Å; I115-F128 HydrophobicContact CG2-CE1 3.82Å; I115-F128 HydrophobicContact CG2-CZ 4.11Å; I115-F128 WeakPolarHBondContact O-CZ 3.48Å; I115-S130 WeakPolarHBondContact CG2-OG 3.42Å; I115-I132 HydrophobicContact CD1-CD1 4.2Å; I115-I132 HydrophobicContact CG1-CD1 4.16Å; I115-I132 HydrophobicContact CG2-CD1 3.8Å; I115-F137 HydrophobicContact CD1-CD1 4.02Å; I115-F137 HydrophobicContact CD1-CD2 3.68Å; I115-F137 HydrophobicContact CD1-CE1 4.11Å; I115-F137 HydrophobicContact CD1-CE2 3.78Å; I115-F137 HydrophobicContact CD1-CG 3.81Å; I115-F137 HydrophobicContact CD1-CZ 4.01Å; I115-F137 HydrophobicContact CG2-CD1 4.27Å; I115-F137 HydrophobicContact CG2-CG 4.48Å
116	T	92.7	Very high	93	Very high	71 Å²	71	29.2 Å²	29.2	44%	0.436	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	134.6	173.8	-52.2	0	0	0	0	110.4	V105 S130	V105-T116 CarbonylContact O-C 3.17Å; V105-T116 WeakPolarHBondContact O-CA 3.37Å; T116-S130 WeakPolarHBondContact O-CB 3.25Å; T116-S130 PolarHBondContact O-OG 3.29Å
117	G	92.6	Very high	93.1	Very high	10 Å²	10	28.2 Å²	28.2	10%	0.103	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	-167.1	-176.5	0	0	0	0	0	114	D104 V105 T129	D104-G117 PolarHBondContact N-O 3.37Å; V105-G117 PolarHBondContact N-O 3.43Å; V105-G117 PolarHBondContact O-N 3.36Å; G117-T129 CarbonylContact C-O 3.57Å; G117-T129 WeakPolarHBondContact CA-O 3.46Å
118	T	92.9	Very high	93.2	Very high	23 Å²	23	27.7 Å²	27.7	14%	0.141	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	127.4	175.9	-57.3	0	0	0	0	109.5	T101 V102 K103 F128 T129	T101-T118 HydrophobicContact CG2-CG2 3.57Å; V102-T118 WeakPolarHBondContact O-CA 3.38Å; K103-T118 HydrophobicContact CG-CG2 4.35Å; T118-F128 WeakPolarHBondContact O-CA 3.46Å; T118-T129 PolarHBondContact N-O 3Å; T118-T129 PolarHBondContact O-N 2.59Å
119	L	94.1	Very high	93.2	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.01	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	123.9	174.6	-175.2	69.4	0	0	0	109.6	T101 V102 V105 I121 L126 F128 F176 I187	T101-L119 CarbonylContact C-O 3.47Å; T101-L119 WeakPolarHBondContact CA-O 3.4Å; V102-L119 PolarHBondContact N-O 3.12Å; V102-L119 PolarHBondContact O-N 3.18Å; V105-L119 HydrophobicContact CB-CB 4.1Å; V105-L119 HydrophobicContact CG1-CB 4.24Å; V105-L119 HydrophobicContact CG1-CD2 4.34Å; V105-L119 HydrophobicContact CG2-CB 3.79Å; L119-I121 HydrophobicContact CD2-CD1 4.36Å; L119-L126 HydrophobicContact CD1-CD1 3.76Å; L119-L126 HydrophobicContact CD1-CD2 3.62Å; L119-L126 HydrophobicContact CD1-CG 3.54Å; L119-L126 HydrophobicContact CD2-CD1 4.33Å; L119-L126 HydrophobicContact CG-CD1 4.43Å; L119-L126 HydrophobicContact CG-CG 4.46Å; L119-F128 HydrophobicContact CB-CD2 4.26Å; L119-F128 HydrophobicContact CD1-CB 3.92Å; L119-F128 HydrophobicContact CD1-CD2 4.23Å; L119-F176 HydrophobicContact CD1-CD1 4.4Å; L119-F176 HydrophobicContact CD1-CE1 4.02Å; L119-F176 HydrophobicContact CD1-CZ 4.25Å; L119-I187 HydrophobicContact CD2-CD1 4.26Å; L119-I187 HydrophobicContact CD2-CG2 4.34Å
120	T	94.9	Very high	93.2	Very high	9 Å²	9	26.4 Å²	26.4	6%	0.055	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	129.9	173	-62.4	0	0	0	0	109.3	V90 V98 V100 T101 T122 Y127	V90-T120 HydrophobicContact CB-CG2 4.1Å; V90-T120 HydrophobicContact CG1-CG2 3.78Å; V90-T120 HydrophobicContact CG2-CG2 4.38Å; V98-T120 HydrophobicContact CG1-CG2 3.84Å; V98-T120 HydrophobicContact CG2-CG2 4.16Å; V100-T120 WeakPolarHBondContact O-CA 3.48Å; T101-T120 WeakPolarHBondContact OG1-CG2 3.26Å; T101-T120 PolarHBondContact OG1-OG1 3.26Å; T101-T120 VanDerWaalsContact OG1-OG1 3.12Å; T120-T122 HydrophobicContact CG2-CG2 4.5Å; T120-Y127 PolarHBondContact N-O 3.3Å; T120-Y127 PolarHBondContact O-N 2.96Å
121	I	96.1	Very high	92.8	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	128.8	174.5	-62.1	158	0	0	0	107.8	Q99 V100 L119 L126 L143 I187 V190 L191	Q99-I121 PolarHBondContact N-O 2.79Å; V100-I121 HydrophobicContact CG1-CB 3.86Å; V100-I121 HydrophobicContact CG1-CD1 3.76Å; V100-I121 HydrophobicContact CG1-CG1 4.24Å; V100-I121 PolarHBondContact N-O 3.31Å; V100-I121 PolarHBondContact O-N 2.97Å; L119-I121 HydrophobicContact CD2-CD1 4.36Å; I121-L126 HydrophobicContact CD1-CD1 4.45Å; I121-L126 HydrophobicContact CG1-CB 4.4Å; I121-L126 HydrophobicContact CG1-CD1 4.07Å; I121-L126 HydrophobicContact CG1-CG 4.27Å; I121-L143 HydrophobicContact CG2-CD1 4.45Å; I121-I187 HydrophobicContact CD1-CG2 3.83Å; I121-V190 HydrophobicContact CB-CG1 4.49Å; I121-V190 HydrophobicContact CG2-CG1 3.92Å; I121-L191 HydrophobicContact CD1-CD1 4.18Å; I121-L191 HydrophobicContact CD1-CD2 3.87Å; I121-L191 HydrophobicContact CD1-CG 3.72Å; I121-L191 HydrophobicContact CG1-CD2 4.09Å; I121-L191 HydrophobicContact CG1-CG 4.48Å; I121-L191 HydrophobicContact CG2-CD2 4.14Å
122	T	96.4	Very high	92	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	-176.5	172.5	73.2	0	0	0	0	109.6	V90 L92 E96 T97 V98 T120 Y124 K125 L143	V90-T122 HydrophobicContact CG2-CG2 4.41Å; L92-T122 HydrophobicContact CD2-CG2 3.84Å; E96-T122 HydrophobicContact CG-CG2 4.03Å; E96-T122 VanDerWaalsContact OE1-CB 3.28Å; E96-T122 WeakPolarHBondContact OE1-CB 3.33Å; E96-T122 VanDerWaalsContact OE1-CG2 3.28Å; E96-T122 WeakPolarHBondContact OE1-CG2 3.45Å; E96-T122 PolarHBondContact OE1-OG1 2.83Å; T97-T122 CarbonylContact O-C 3.56Å; T97-T122 WeakPolarHBondContact O-CA 3.28Å; T97-T122 VanDerWaalsContact O-CB 3.27Å; T97-T122 WeakPolarHBondContact O-CB 3.35Å; V98-T122 HydrophobicContact CG2-CG2 4.34Å; T120-T122 HydrophobicContact CG2-CG2 4.5Å; T122-Y124 PolarHBondContact O-N 3.13Å; T122-Y124 PolarHBondContact OG1-N 2.97Å; T122-K125 PolarHBondContact N-O 2.97Å; T122-K125 PolarHBondContact OG1-N 3.01Å; T122-K125 PolarHBondContact OG1-O 3.31Å; T122-L143 WeakPolarHBondContact O-CD1 3.09Å
123	D	94.9	Very high	90.7	Very high	10 Å²	10	33.3 Å²	33.3	5%	0.053	19%	0.186	C	C	.	.	S	Bend	trans	-80.1	10.9	169.5	62	-22.8	0	0	0	114	T97 Q99 K208	T97-D123 PolarHBondContact N-OD1 3.03Å; T97-D123 PolarHBondContact O-N 3.09Å; T97-D123 VanDerWaalsContact O-N 3.1Å; T97-D123 PolarHBondContact OG1-OD1 3.41Å; T97-D123 PolarHBondContact OG1-OD2 3.04Å; Q99-D123 HydrophobicContact CG-CB 4.43Å; D123-K208 VanDerWaalsContact OD2-CD 3.3Å; D123-K208 WeakPolarHBondContact OD2-CD 3.31Å; D123-K208 IonicContact OD2-NZ 2.64Å; D123-K208 PolarHBondContact OD2-NZ 2.8Å
124	Y	96.8	Very high	89.3	Confident	12 Å²	12	39.4 Å²	39.4	5%	0.047	21%	0.211	C	C	.	.	S	Bend	trans	-133.3	-38.5	178.7	176.4	-114.1	0	0	0	114.5	L77 L93 T122 N142 L143 F205 S526 L528	L77-Y124 HydrophobicContact CD1-CE1 4.37Å; L93-Y124 HydrophobicContact CD1-CD1 3.77Å; L93-Y124 HydrophobicContact CD1-CE1 3.53Å; T122-Y124 PolarHBondContact O-N 3.13Å; T122-Y124 PolarHBondContact OG1-N 2.97Å; Y124-N142 WeakPolarHBondContact CE2-ND2 3.28Å; Y124-N142 PolarHBondContact OH-ND2 3.36Å; Y124-L143 WeakPolarHBondContact O-CB 3.32Å; Y124-L143 WeakPolarHBondContact O-CG 3.46Å; Y124-L143 PolarHBondContact O-N 3.33Å; Y124-F205 HydrophobicContact CD1-CE1 4.42Å; Y124-F205 HydrophobicContact CD2-CB 3.87Å; Y124-F205 AromaticContact CD2-CD1 3.17Å; Y124-F205 HydrophobicContact CD2-CD1 3.17Å; Y124-F205 HydrophobicContact CD2-CD2 4.49Å; Y124-F205 AromaticContact CD2-CE1 3.82Å; Y124-F205 HydrophobicContact CD2-CE1 3.82Å; Y124-F205 AromaticContact CD2-CG 3.58Å; Y124-F205 HydrophobicContact CD2-CG 3.58Å; Y124-F205 AromaticContact CE2-CD1 3.83Å; Y124-F205 HydrophobicContact CE2-CD1 3.83Å; Y124-F205 HydrophobicContact CE2-CE1 4.43Å; Y124-F205 AromaticContact CG-CD1 3.59Å; Y124-F205 HydrophobicContact CG-CD1 3.59Å; Y124-F205 HydrophobicContact CG-CD2 4.48Å; Y124-F205 AromaticContact CG-CE1 3.8Å; Y124-F205 HydrophobicContact CG-CE1 3.8Å; Y124-F205 AromaticContact CG-CG 3.96Å; Y124-F205 HydrophobicContact CG-CG 3.96Å; Y124-F205 HydrophobicContact CG-CZ 4.36Å; Y124-S526 WeakPolarHBondContact CE2-O 3.44Å; Y124-L528 HydrophobicContact CD2-CD1 4.39Å; Y124-L528 HydrophobicContact CE2-CB 3.7Å; Y124-L528 HydrophobicContact CE2-CD1 3.79Å; Y124-L528 HydrophobicContact CE2-CG 4.24Å
125	K	96.4	Very high	88.2	Confident	8 Å²	8	35.3 Å²	35.3	4%	0.035	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	160.2	-175.7	76	-161.6	170.4	-135.5	0	113.1	P91 E96 T122 V141	P91-K125 VanDerWaalsContact O-CE 3.31Å; P91-K125 WeakPolarHBondContact O-CE 3.43Å; P91-K125 PolarHBondContact O-NZ 2.98Å; E96-K125 VanDerWaalsContact CD-NZ 3.32Å; E96-K125 WeakPolarHBondContact OE1-CD 3.4Å; E96-K125 WeakPolarHBondContact OE1-CE 3.38Å; E96-K125 WeakPolarHBondContact OE1-CG 3.21Å; E96-K125 IonicContact OE1-NZ 2.87Å; E96-K125 PolarHBondContact OE1-NZ 3.5Å; E96-K125 IonicContact OE2-NZ 3.5Å; E96-K125 PolarHBondContact OE2-NZ 3.45Å; T122-K125 PolarHBondContact N-O 2.97Å; T122-K125 PolarHBondContact OG1-N 3.01Å; T122-K125 PolarHBondContact OG1-O 3.31Å; K125-V141 CarbonylContact C-O 3.6Å; K125-V141 WeakPolarHBondContact CA-O 3.17Å
126	L	96.6	Very high	87.6	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	127.8	161.5	173.5	149.9	0	0	0	108.1	L119 I121 V141 L143 L166 F176 L191	L119-L126 HydrophobicContact CD1-CD1 3.76Å; L119-L126 HydrophobicContact CD1-CD2 3.62Å; L119-L126 HydrophobicContact CD1-CG 3.54Å; L119-L126 HydrophobicContact CD2-CD1 4.33Å; L119-L126 HydrophobicContact CG-CD1 4.43Å; L119-L126 HydrophobicContact CG-CG 4.46Å; I121-L126 HydrophobicContact CD1-CD1 4.45Å; I121-L126 HydrophobicContact CG1-CB 4.4Å; I121-L126 HydrophobicContact CG1-CD1 4.07Å; I121-L126 HydrophobicContact CG1-CG 4.27Å; L126-V141 HydrophobicContact CB-CB 4.35Å; L126-V141 HydrophobicContact CD2-CB 4.24Å; L126-V141 HydrophobicContact CD2-CG2 4.15Å; L126-V141 PolarHBondContact N-O 3.49Å; L126-V141 PolarHBondContact O-N 2.96Å; L126-L143 HydrophobicContact CB-CD2 4.04Å; L126-L166 HydrophobicContact CD1-CD1 3.54Å; L126-L166 HydrophobicContact CD2-CD1 4.25Å; L126-L166 HydrophobicContact CG-CD1 4.42Å; L126-F176 HydrophobicContact CD1-CE2 4.41Å; L126-F176 HydrophobicContact CD2-CE2 4.08Å; L126-F176 HydrophobicContact CD2-CZ 3.74Å; L126-L191 HydrophobicContact CD1-CD1 4.25Å; L126-L191 HydrophobicContact CD1-CD2 3.86Å
127	Y	95.9	Very high	87.4	Confident	24 Å²	24	35.8 Å²	35.8	9%	0.094	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	111.5	-174.5	-168	-101.7	0	0	0	109.6	V90 P91 T120 T129 I138 D140	V90-Y127 HydrophobicContact CB-CD1 3.97Å; V90-Y127 HydrophobicContact CB-CE1 4.45Å; V90-Y127 HydrophobicContact CB-CG 4.5Å; V90-Y127 HydrophobicContact CG2-CD1 3.79Å; V90-Y127 HydrophobicContact CG2-CE1 4.45Å; V90-Y127 HydrophobicContact CG2-CG 3.82Å; P91-Y127 HydrophobicContact CG-CE2 4.35Å; T120-Y127 PolarHBondContact N-O 3.3Å; T120-Y127 PolarHBondContact O-N 2.96Å; Y127-T129 HydrophobicContact CD1-CG2 3.69Å; Y127-T129 HydrophobicContact CE1-CG2 3.14Å; Y127-I138 HydrophobicContact CD2-CG2 4.32Å; Y127-I138 HydrophobicContact CE2-CG2 3.49Å; Y127-I138 VanDerWaalsContact CE2-CG2 3.49Å; Y127-D140 HydrophobicContact CD2-CB 4.08Å; Y127-D140 HydrophobicContact CE2-CB 4.38Å
128	F	95	Very high	87.3	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	131.5	178.7	175.5	-95	0	0	0	110.4	V105 Y107 I115 T118 L119 F137 I138 L139 F176	V105-F128 HydrophobicContact CB-CE2 4.29Å; V105-F128 HydrophobicContact CG1-CE2 4.43Å; V105-F128 WeakPolarHBondContact O-CE2 3.46Å; Y107-F128 HydrophobicContact CD1-CE1 4.44Å; Y107-F128 HydrophobicContact CG-CE1 4.36Å; I115-F128 HydrophobicContact CB-CE1 4.42Å; I115-F128 HydrophobicContact CG2-CE1 3.82Å; I115-F128 HydrophobicContact CG2-CZ 4.11Å; I115-F128 WeakPolarHBondContact O-CZ 3.48Å; T118-F128 WeakPolarHBondContact O-CA 3.46Å; L119-F128 HydrophobicContact CB-CD2 4.26Å; L119-F128 HydrophobicContact CD1-CB 3.92Å; L119-F128 HydrophobicContact CD1-CD2 4.23Å; F128-F137 AromaticContact CD1-CD1 3.86Å; F128-F137 HydrophobicContact CD1-CD1 3.86Å; F128-F137 AromaticContact CD1-CE1 3.87Å; F128-F137 HydrophobicContact CD1-CE1 3.87Å; F128-F137 AromaticContact CE1-CD1 3.83Å; F128-F137 HydrophobicContact CE1-CD1 3.83Å; F128-F137 HydrophobicContact CE1-CE1 4.05Å; F128-I138 CarbonylContact O-C 3.02Å; F128-I138 WeakPolarHBondContact O-CA 3.28Å; F128-L139 HydrophobicContact CB-CB 4.22Å; F128-L139 HydrophobicContact CD1-CB 4.46Å; F128-L139 PolarHBondContact N-O 3.35Å; F128-L139 PolarHBondContact O-N 2.99Å; F128-F176 HydrophobicContact CB-CE1 4Å; F128-F176 HydrophobicContact CB-CZ 4.45Å; F128-F176 HydrophobicContact CD2-CD1 4.39Å; F128-F176 AromaticContact CD2-CE1 3.95Å; F128-F176 HydrophobicContact CD2-CE1 3.95Å; F128-F176 AromaticContact CG-CE1 3.93Å; F128-F176 HydrophobicContact CG-CE1 3.93Å
129	T	93.2	Very high	87.3	Confident	19 Å²	19	35.9 Å²	35.9	12%	0.117	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	141.4	178	59.7	0	0	0	0	112.1	G117 T118 Y127 F137 I138	G117-T129 CarbonylContact C-O 3.57Å; G117-T129 WeakPolarHBondContact CA-O 3.46Å; T118-T129 PolarHBondContact N-O 3Å; T118-T129 PolarHBondContact O-N 2.59Å; Y127-T129 HydrophobicContact CD1-CG2 3.69Å; Y127-T129 HydrophobicContact CE1-CG2 3.14Å; T129-F137 CarbonylContact C-O 3.59Å; T129-F137 VanDerWaalsContact CA-O 3.28Å; T129-F137 WeakPolarHBondContact CA-O 3.35Å; T129-I138 HydrophobicContact CG2-CG1 4.28Å
130	S	90.8	Very high	87.3	Confident	11 Å²	11	37.1 Å²	37.1	8%	0.077	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	140.8	173.1	177.4	0	0	0	0	110.4	I115 T116 S136 F137	I115-S130 WeakPolarHBondContact CG2-OG 3.42Å; T116-S130 WeakPolarHBondContact O-CB 3.25Å; T116-S130 PolarHBondContact O-OG 3.29Å; S130-S136 CarbonylContact O-C 3.57Å; S130-S136 WeakPolarHBondContact O-CA 3.31Å; S130-F137 PolarHBondContact N-O 3.29Å; S130-F137 PolarHBondContact O-N 3.03Å
131	S	82.7	Confident	87.3	Confident	71 Å²	71	36.7 Å²	36.7	50%	0.497	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	106	174.3	-59.5	0	0	0	0	108.7	H87	H87-S131 PolarHBondContact NE2-OG 3.12Å
132	I	71.3	Confident	87.2	Confident	67 Å²	67	37.6 Å²	37.6	34%	0.344	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	111.4	-178.8	-51.4	175	0	0	0	108.9	I115 D134 S135 F137	I115-I132 HydrophobicContact CD1-CD1 4.2Å; I115-I132 HydrophobicContact CG1-CD1 4.16Å; I115-I132 HydrophobicContact CG2-CD1 3.8Å; I132-D134 PolarHBondContact O-N 3.45Å; I132-S135 CarbonylContact C-O 3.52Å; I132-S135 PolarHBondContact N-O 3.15Å; I132-S135 PolarHBondContact O-N 3.35Å; I132-S135 PolarHBondContact O-OG 3.32Å; I132-F137 HydrophobicContact CD1-CB 3.99Å
133	K	57.1	Low	87.2	Confident	197 Å²	197	37.7 Å²	37.7	86%	0.857	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	38.7	65.8	168.6	-66.2	-179.2	177.7	-179.8	0	113.5	S135	K133-S135 VanDerWaalsContact C-N 3.28Å; K133-S135 PolarHBondContact O-N 3.06Å
134	D	60.3	Low	87.3	Confident	163 Å²	163	37.7 Å²	37.7	87%	0.872	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.9	12.6	179.6	-50.3	-41.6	0	0	0	116.8	I132	I132-D134 PolarHBondContact O-N 3.45Å
135	S	68.1	Low	87.3	Confident	32 Å²	32	37.3 Å²	37.3	22%	0.224	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	152	173	68	0	0	0	0	111.4	I132 K133	I132-S135 CarbonylContact C-O 3.52Å; I132-S135 PolarHBondContact N-O 3.15Å; I132-S135 PolarHBondContact O-N 3.35Å; I132-S135 PolarHBondContact O-OG 3.32Å; K133-S135 VanDerWaalsContact C-N 3.28Å; K133-S135 PolarHBondContact O-N 3.06Å
136	S	81.5	Confident	87.3	Confident	41 Å²	41	37 Å²	37	29%	0.287	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	121.1	175.1	60.2	0	0	0	0	110.1	S70 S130	S70-S136 VanDerWaalsContact CB-O 3.24Å; S70-S136 WeakPolarHBondContact CB-O 3.3Å; S130-S136 CarbonylContact O-C 3.57Å; S130-S136 WeakPolarHBondContact O-CA 3.31Å
137	F	87.9	Confident	87.2	Confident	51 Å²	51	37.9 Å²	37.9	22%	0.224	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	132.6	164.6	-179.5	-91.5	0	0	0	108.8	Y107 I115 F128 T129 S130 I132 L139	Y107-F137 AromaticContact CD1-CE1 3.64Å; Y107-F137 HydrophobicContact CD1-CE1 3.64Å; Y107-F137 AromaticContact CD1-CZ 3.81Å; Y107-F137 HydrophobicContact CD1-CZ 3.81Å; Y107-F137 AromaticContact CE1-CE1 3.8Å; Y107-F137 HydrophobicContact CE1-CE1 3.8Å; Y107-F137 AromaticContact CE1-CZ 3.5Å; Y107-F137 HydrophobicContact CE1-CZ 3.5Å; Y107-F137 VanDerWaalsContact CE1-CZ 3.5Å; I115-F137 HydrophobicContact CD1-CD1 4.02Å; I115-F137 HydrophobicContact CD1-CD2 3.68Å; I115-F137 HydrophobicContact CD1-CE1 4.11Å; I115-F137 HydrophobicContact CD1-CE2 3.78Å; I115-F137 HydrophobicContact CD1-CG 3.81Å; I115-F137 HydrophobicContact CD1-CZ 4.01Å; I115-F137 HydrophobicContact CG2-CD1 4.27Å; I115-F137 HydrophobicContact CG2-CG 4.48Å; F128-F137 AromaticContact CD1-CD1 3.86Å; F128-F137 HydrophobicContact CD1-CD1 3.86Å; F128-F137 AromaticContact CD1-CE1 3.87Å; F128-F137 HydrophobicContact CD1-CE1 3.87Å; F128-F137 AromaticContact CE1-CD1 3.83Å; F128-F137 HydrophobicContact CE1-CD1 3.83Å; F128-F137 HydrophobicContact CE1-CE1 4.05Å; T129-F137 CarbonylContact C-O 3.59Å; T129-F137 VanDerWaalsContact CA-O 3.28Å; T129-F137 WeakPolarHBondContact CA-O 3.35Å; S130-F137 PolarHBondContact N-O 3.29Å; S130-F137 PolarHBondContact O-N 3.03Å; I132-F137 HydrophobicContact CD1-CB 3.99Å; F137-L139 HydrophobicContact CE1-CB 3.8Å; F137-L139 HydrophobicContact CZ-CB 4.26Å
138	I	90.5	Very high	87.1	Confident	23 Å²	23	40.1 Å²	40.1	12%	0.118	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	127.7	179.2	-57.8	172.9	0	0	0	108.2	N73 Y127 F128 T129	N73-I138 PolarHBondContact ND2-O 2.92Å; Y127-I138 HydrophobicContact CD2-CG2 4.32Å; Y127-I138 HydrophobicContact CE2-CG2 3.49Å; Y127-I138 VanDerWaalsContact CE2-CG2 3.49Å; F128-I138 CarbonylContact O-C 3.02Å; F128-I138 WeakPolarHBondContact O-CA 3.28Å; T129-I138 HydrophobicContact CG2-CG1 4.28Å
139	L	92.9	Very high	87.1	Confident	11 Å²	11	40.6 Å²	40.6	6%	0.058	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	115.5	168.5	170	64.8	0	0	0	108.4	Y107 F128 F137 V141 A174 F176	Y107-L139 HydrophobicContact CD1-CD2 4.44Å; Y107-L139 HydrophobicContact CD2-CD2 3.83Å; Y107-L139 HydrophobicContact CE1-CD2 4.13Å; Y107-L139 HydrophobicContact CE2-CD2 3.5Å; Y107-L139 HydrophobicContact CG-CD2 4.31Å; F128-L139 HydrophobicContact CB-CB 4.22Å; F128-L139 HydrophobicContact CD1-CB 4.46Å; F128-L139 PolarHBondContact N-O 3.35Å; F128-L139 PolarHBondContact O-N 2.99Å; F137-L139 HydrophobicContact CE1-CB 3.8Å; F137-L139 HydrophobicContact CZ-CB 4.26Å; L139-V141 HydrophobicContact CD1-CG2 3.96Å; L139-V141 HydrophobicContact CG-CG2 4.03Å; L139-A174 HydrophobicContact CD2-CB 4.15Å; L139-F176 HydrophobicContact CD2-CE1 4.25Å; L139-F176 HydrophobicContact CD2-CZ 3.63Å
140	D	93.4	Very high	87.1	Confident	28 Å²	28	42.6 Å²	42.6	15%	0.15	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	122.1	176.8	-165.4	-31.3	0	0	0	109	Y127 R172	Y127-D140 HydrophobicContact CD2-CB 4.08Å; Y127-D140 HydrophobicContact CE2-CB 4.38Å; D140-R172 PolarHBondContact O-NH1 2.93Å; D140-R172 PolarHBondContact O-NH2 3.3Å
141	V	95.4	Very high	87	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	110.8	179.4	-175.8	0	0	0	0	108.3	K125 L126 L139 L143 I146	K125-V141 CarbonylContact C-O 3.6Å; K125-V141 WeakPolarHBondContact CA-O 3.17Å; L126-V141 HydrophobicContact CB-CB 4.35Å; L126-V141 HydrophobicContact CD2-CB 4.24Å; L126-V141 HydrophobicContact CD2-CG2 4.15Å; L126-V141 PolarHBondContact N-O 3.49Å; L126-V141 PolarHBondContact O-N 2.96Å; L139-V141 HydrophobicContact CD1-CG2 3.96Å; L139-V141 HydrophobicContact CG-CG2 4.03Å; V141-L143 PolarHBondContact O-N 3.41Å; V141-I146 HydrophobicContact CG1-CD1 4.49Å; V141-I146 HydrophobicContact CG1-CG1 4.15Å
142	N	94.4	Very high	87.3	Confident	20 Å²	20	44.2 Å²	44.2	11%	0.107	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	132.6	169.2	177.9	-73.5	0	0	0	110.3	Y124 G144 A145 S526	Y124-N142 WeakPolarHBondContact CE2-ND2 3.28Å; Y124-N142 PolarHBondContact OH-ND2 3.36Å; N142-G144 PolarHBondContact O-N 2.88Å; N142-G144 VanDerWaalsContact OD1-CA 3.28Å; N142-G144 WeakPolarHBondContact OD1-CA 3.37Å; N142-G144 PolarHBondContact OD1-N 3.04Å; N142-A145 HydrophobicContact CB-CB 4.37Å; N142-A145 WeakPolarHBondContact O-CB 3.44Å; N142-A145 PolarHBondContact O-N 3.46Å; N142-A145 VanDerWaalsContact O-N 3.15Å; N142-A145 PolarHBondContact OD1-N 3.02Å; N142-S526 VanDerWaalsContact ND2-CA 3.35Å; N142-S526 WeakPolarHBondContact ND2-CA 3.33Å; N142-S526 VanDerWaalsContact ND2-CB 3.33Å; N142-S526 WeakPolarHBondContact ND2-CB 3.18Å; N142-S526 PolarHBondContact ND2-O 2.66Å; N142-S526 VanDerWaalsContact OD1-CA 3.29Å; N142-S526 WeakPolarHBondContact OD1-CA 3.47Å; N142-S526 PolarHBondContact OD1-O 3.36Å
143	L	97	Very high	87.6	Confident	2 Å²	2	46 Å²	46	1%	0.01	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-67.2	-32.9	-176.3	-64.3	-175.8	0	0	0	113.2	I121 T122 Y124 L126 V141 A145 I146 L191 H194 A195	I121-L143 HydrophobicContact CG2-CD1 4.45Å; T122-L143 WeakPolarHBondContact O-CD1 3.09Å; Y124-L143 WeakPolarHBondContact O-CB 3.32Å; Y124-L143 WeakPolarHBondContact O-CG 3.46Å; Y124-L143 PolarHBondContact O-N 3.33Å; L126-L143 HydrophobicContact CB-CD2 4.04Å; V141-L143 PolarHBondContact O-N 3.41Å; L143-A145 PolarHBondContact O-N 2.95Å; L143-I146 HydrophobicContact CD2-CD1 3.72Å; L143-I146 VanDerWaalsContact O-CB 3.31Å; L143-I146 WeakPolarHBondContact O-CB 3.47Å; L143-I146 PolarHBondContact O-N 3.43Å; L143-L191 HydrophobicContact CD2-CD2 3.7Å; L143-H194 HydrophobicContact CD1-CB 3.55Å; L143-A195 HydrophobicContact CB-CB 4.15Å
144	G	96.1	Very high	88.3	Confident	11 Å²	11	38.9 Å²	38.9	11%	0.113	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-66.9	-19.8	174.6	0	0	0	0	0	114.4	N142 I146 K169 Y525	N142-G144 PolarHBondContact O-N 2.88Å; N142-G144 VanDerWaalsContact OD1-CA 3.28Å; N142-G144 WeakPolarHBondContact OD1-CA 3.37Å; N142-G144 PolarHBondContact OD1-N 3.04Å; G144-I146 VanDerWaalsContact C-N 3.31Å; G144-K169 PolarHBondContact O-NZ 3.35Å; G144-Y525 CarbonylContact C-O 3.56Å; G144-Y525 WeakPolarHBondContact CA-O 3.48Å
145	A	96.1	Very high	88.2	Confident	4 Å²	4	36.9 Å²	36.9	3%	0.033	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-76.7	-15.8	170.8	0	0	0	0	0	112.9	N142 L143 S147 C168 K169	N142-A145 HydrophobicContact CB-CB 4.37Å; N142-A145 WeakPolarHBondContact O-CB 3.44Å; N142-A145 PolarHBondContact O-N 3.46Å; N142-A145 VanDerWaalsContact O-N 3.15Å; N142-A145 PolarHBondContact OD1-N 3.02Å; L143-A145 PolarHBondContact O-N 2.95Å; A145-S147 PolarHBondContact O-N 3.36Å; A145-C168 CarbonylContact O-C 3.48Å; A145-C168 WeakPolarHBondContact O-CA 3.25Å; A145-C168 WeakPolarHBondContact O-CB 3.27Å; A145-K169 WeakPolarHBondContact O-CG 3.47Å; A145-K169 PolarHBondContact O-N 3.2Å
146	I	97.2	Very high	87.6	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	126.2	176.2	-57.7	175	0	0	0	108.5	V141 L143 G144 L149 L166 L191 A195 F196	V141-I146 HydrophobicContact CG1-CD1 4.49Å; V141-I146 HydrophobicContact CG1-CG1 4.15Å; L143-I146 HydrophobicContact CD2-CD1 3.72Å; L143-I146 VanDerWaalsContact O-CB 3.31Å; L143-I146 WeakPolarHBondContact O-CB 3.47Å; L143-I146 PolarHBondContact O-N 3.43Å; G144-I146 VanDerWaalsContact C-N 3.31Å; I146-L149 HydrophobicContact CG2-CD2 3.85Å; I146-L149 HydrophobicContact CG2-CG 4.44Å; I146-L166 HydrophobicContact CD1-CD1 4.27Å; I146-L191 HydrophobicContact CD1-CD2 4.4Å; I146-A195 HydrophobicContact CB-CB 4.17Å; I146-A195 HydrophobicContact CD1-CB 4.12Å; I146-A195 HydrophobicContact CG2-CB 4.48Å; I146-F196 HydrophobicContact CG2-CZ 4.06Å
147	S	94.8	Very high	85.9	Confident	20 Å²	20	47.5 Å²	47.5	14%	0.14	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-32.2	177.6	71	0	0	0	0	112.6	A145 V167	A145-S147 PolarHBondContact O-N 3.36Å; S147-V167 WeakPolarHBondContact CA-O 3.5Å; S147-V167 WeakPolarHBondContact CB-O 3.41Å; S147-V167 PolarHBondContact N-O 3.45Å; S147-V167 PolarHBondContact OG-O 2.85Å
148	R	93.8	Very high	84.1	Confident	71 Å²	71	48.8 Å²	48.8	27%	0.268	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	156	179.3	60.2	-176.3	-172	-88.7	7.7	110.7	E150 V167	R148-E150 WeakPolarHBondContact CD-OE1 3.45Å; R148-E150 IonicContact CZ-OE1 3.98Å; R148-E150 IonicContact NE-OE1 3.15Å; R148-E150 PolarHBondContact NE-OE1 3.11Å; R148-E150 IonicContact NH2-OE1 3.86Å; R148-V167 HydrophobicContact CG-CB 3.65Å; R148-V167 HydrophobicContact CG-CG1 4.45Å; R148-V167 HydrophobicContact CG-CG2 3.97Å; R148-V167 PolarHBondContact N-O 3.3Å; R148-V167 PolarHBondContact O-N 2.89Å
149	L	94.5	Very high	82.6	Confident	9 Å²	9	53.2 Å²	53.2	5%	0.047	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	134.2	170.4	-58.4	173.5	0	0	0	108.6	I146 I164 L166 L191 F196 R483	I146-L149 HydrophobicContact CG2-CD2 3.85Å; I146-L149 HydrophobicContact CG2-CG 4.44Å; L149-I164 HydrophobicContact CB-CD1 4.24Å; L149-I164 HydrophobicContact CD1-CD1 4.43Å; L149-I164 HydrophobicContact CD2-CD1 4Å; L149-I164 HydrophobicContact CG-CD1 4.45Å; L149-L166 HydrophobicContact CD2-CD2 3.33Å; L149-L191 HydrophobicContact CD1-CB 3.78Å; L149-L191 HydrophobicContact CD2-CB 4.26Å; L149-L191 HydrophobicContact CD2-CD1 4.44Å; L149-F196 HydrophobicContact CD1-CE2 3.87Å; L149-F196 HydrophobicContact CG-CE2 3.92Å; L149-F196 HydrophobicContact CG-CZ 4.25Å; L149-R483 PolarHBondContact O-NH2 3.1Å
150	E	92.7	Very high	81	Confident	61 Å²	61	59.9 Å²	59.9	29%	0.285	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	122.9	175.3	-67.8	179.2	-176.9	0	0	109.4	R148 I164 E165	R148-E150 WeakPolarHBondContact CD-OE1 3.45Å; R148-E150 IonicContact CZ-OE1 3.98Å; R148-E150 IonicContact NE-OE1 3.15Å; R148-E150 PolarHBondContact NE-OE1 3.11Å; R148-E150 IonicContact NH2-OE1 3.86Å; E150-I164 CarbonylContact O-C 3.55Å; E150-I164 WeakPolarHBondContact O-CA 3.04Å; E150-E165 HydrophobicContact CB-CB 4.23Å; E150-E165 PolarHBondContact N-O 3.35Å; E150-E165 PolarHBondContact O-N 3.26Å
151	S	90	Very high	80	Confident	83 Å²	83	59.5 Å²	59.5	58%	0.58	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.2	133	174.1	-31.5	0	0	0	0	109.6	E188	S151-E188 PolarHBondContact OG-OE1 3.43Å; S151-E188 VanDerWaalsContact OG-OE1 3.11Å
152	I	88.7	Confident	79.2	Confident	33 Å²	33	64.2 Å²	64.2	17%	0.169	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	144.3	177.4	61.2	171.3	0	0	0	110	I108 G163 E165 R175	I108-I152 HydrophobicContact CD1-CD1 4.35Å; I152-G163 PolarHBondContact N-O 2.84Å; I152-G163 CarbonylContact O-C 3.59Å; I152-G163 WeakPolarHBondContact O-CA 3.27Å; I152-G163 PolarHBondContact O-N 3.48Å; I152-E165 HydrophobicContact CG2-CB 3.98Å; I152-R175 HydrophobicContact CD1-CB 4.04Å; I152-R175 HydrophobicContact CD1-CG 4.24Å
153	S	78.1	Confident	78.9	Confident	106 Å²	106	63.4 Å²	63.4	74%	0.741	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.9	123.4	172.5	-62.1	0	0	0	0	108.6
154	V	70.1	Confident	78.8	Confident	47 Å²	47	63.4 Å²	63.4	29%	0.285	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	115.6	174.8	-178.2	0	0	0	0	108.3	I108 N156 T177	I108-V154 HydrophobicContact CD1-CG2 4.03Å; V154-N156 PolarHBondContact O-N 3.39Å; V154-T177 HydrophobicContact CB-CG2 4.1Å; V154-T177 HydrophobicContact CG2-CG2 3.46Å; V154-T177 VanDerWaalsContact CG2-CG2 3.46Å
155	P	60.1	Low	78.7	Confident	121 Å²	121	63.5 Å²	63.5	79%	0.786	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.9	107.3	176.3	24.8	-29.3	0	0	0	108.6
156	N	54.4	Low	78.7	Confident	91 Å²	91	63.3 Å²	63.3	49%	0.487	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	141.9	171.4	-130.3	-2.3	0	0	0	108.8	V154 G158 D159	V154-N156 PolarHBondContact O-N 3.39Å; N156-G158 PolarHBondContact O-N 3.15Å; N156-D159 PolarHBondContact O-N 3.01Å
157	Q	46	Very low	78.6	Confident	204 Å²	204	63.3 Å²	63.3	95%	0.953	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44	89.4	-168.9	-66.1	176.8	-23.1	0	0	114.4
158	G	50.5	Low	78.7	Confident	79 Å²	79	62.6 Å²	62.6	81%	0.814	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	104.5	-14.9	167.3	0	0	0	0	0	117.4	N156	N156-G158 PolarHBondContact O-N 3.15Å
159	D	58.2	Low	78.8	Confident	116 Å²	116	60.6 Å²	60.6	62%	0.62	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.7	126.3	-178.7	-108.4	-18.2	0	0	0	111.4	N156 T161	N156-D159 PolarHBondContact O-N 3.01Å; D159-T161 PolarHBondContact O-N 3.4Å; D159-T161 PolarHBondContact O-OG1 3.32Å
160	N	59.1	Low	78.8	Confident	151 Å²	151	60.5 Å²	60.5	81%	0.807	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.3	91.9	174.2	-86.1	-14.9	0	0	0	109.7	K162	N160-K162 PolarHBondContact O-N 2.96Å
161	T	72.1	Confident	78.7	Confident	20 Å²	20	58 Å²	58	12%	0.123	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	116.2	177.2	-36.6	0	0	0	0	108.6	D159	D159-T161 PolarHBondContact O-N 3.4Å; D159-T161 PolarHBondContact O-OG1 3.32Å
162	K	79.8	Confident	78.8	Confident	99 Å²	99	54.8 Å²	54.8	43%	0.43	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	147.7	172.7	-76.7	-173	171.3	-175.4	0	109.9	N160 T177 Y178 E186	N160-K162 PolarHBondContact O-N 2.96Å; K162-T177 WeakPolarHBondContact O-CA 3.5Å; K162-Y178 PolarHBondContact O-N 3.17Å; K162-E186 IonicContact NZ-OE1 3.56Å; K162-E186 PolarHBondContact NZ-OE1 3.5Å
163	G	88.5	Confident	79.1	Confident	3 Å²	3	53.4 Å²	53.4	3%	0.031	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	170.9	171.9	0	0	0	0	0	112.6	I152 F176	I152-G163 PolarHBondContact N-O 2.84Å; I152-G163 CarbonylContact O-C 3.59Å; I152-G163 WeakPolarHBondContact O-CA 3.27Å; I152-G163 PolarHBondContact O-N 3.48Å; G163-F176 CarbonylContact C-O 3.51Å; G163-F176 WeakPolarHBondContact CA-O 3.29Å
164	I	93.4	Very high	79.9	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.005	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	136.7	-178.9	-164.5	168	0	0	0	111	L149 E150 L166 R175 F176 Y178 E188 L191	L149-I164 HydrophobicContact CB-CD1 4.24Å; L149-I164 HydrophobicContact CD1-CD1 4.43Å; L149-I164 HydrophobicContact CD2-CD1 4Å; L149-I164 HydrophobicContact CG-CD1 4.45Å; E150-I164 CarbonylContact O-C 3.55Å; E150-I164 WeakPolarHBondContact O-CA 3.04Å; I164-L166 HydrophobicContact CD1-CD2 4.17Å; I164-L166 HydrophobicContact CG1-CD2 4.12Å; I164-L166 HydrophobicContact CG2-CD2 4.32Å; I164-R175 CarbonylContact O-C 3.44Å; I164-R175 WeakPolarHBondContact O-CA 3.37Å; I164-F176 HydrophobicContact CG2-CB 4.2Å; I164-F176 HydrophobicContact CG2-CD2 4.47Å; I164-F176 PolarHBondContact N-O 2.97Å; I164-F176 PolarHBondContact O-N 2.89Å; I164-Y178 HydrophobicContact CB-CE1 4.41Å; I164-Y178 HydrophobicContact CG2-CE1 4.01Å; I164-E188 HydrophobicContact CD1-CB 4.06Å; I164-E188 HydrophobicContact CD1-CG 3.99Å; I164-L191 HydrophobicContact CD1-CD1 3.81Å
165	E	95.3	Very high	81.1	Confident	13 Å²	13	51.2 Å²	51.2	6%	0.061	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	123	167.1	178.9	171	172.9	0	0	109.7	E150 I152 V167 S173 A174 R175	E150-E165 HydrophobicContact CB-CB 4.23Å; E150-E165 PolarHBondContact N-O 3.35Å; E150-E165 PolarHBondContact O-N 3.26Å; I152-E165 HydrophobicContact CG2-CB 3.98Å; E165-V167 HydrophobicContact CG-CG2 3.92Å; E165-S173 WeakPolarHBondContact OE1-CB 3.43Å; E165-S173 PolarHBondContact OE1-OG 3.43Å; E165-A174 CarbonylContact C-O 3.48Å; E165-A174 WeakPolarHBondContact CA-O 3.35Å; E165-R175 HydrophobicContact CB-CG 3.93Å; E165-R175 HydrophobicContact CG-CG 3.84Å; E165-R175 IonicContact OE1-NE 3.59Å; E165-R175 IonicContact OE1-NH2 2.72Å; E165-R175 IonicContact OE2-CZ 2.62Å; E165-R175 VanDerWaalsContact OE2-CZ 3.22Å; E165-R175 IonicContact OE2-NE 3.97Å; E165-R175 PolarHBondContact OE2-NE 2.8Å; E165-R175 IonicContact OE2-NH2 3.74Å; E165-R175 PolarHBondContact OE2-NH2 2.9Å
166	L	96.1	Very high	82.7	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	100.5	172.4	-41.1	179.8	0	0	0	107.9	L126 I146 L149 I164 C168 S173 A174 F176 L191	L126-L166 HydrophobicContact CD1-CD1 3.54Å; L126-L166 HydrophobicContact CD2-CD1 4.25Å; L126-L166 HydrophobicContact CG-CD1 4.42Å; I146-L166 HydrophobicContact CD1-CD1 4.27Å; L149-L166 HydrophobicContact CD2-CD2 3.33Å; I164-L166 HydrophobicContact CD1-CD2 4.17Å; I164-L166 HydrophobicContact CG1-CD2 4.12Å; I164-L166 HydrophobicContact CG2-CD2 4.32Å; L166-C168 PolarHBondContact O-SG 2.95Å; L166-S173 VanDerWaalsContact O-CA 3.3Å; L166-S173 WeakPolarHBondContact O-CA 3.36Å; L166-A174 HydrophobicContact CB-CB 4.36Å; L166-A174 HydrophobicContact CD1-CB 4.32Å; L166-A174 HydrophobicContact CG-CB 4.48Å; L166-A174 PolarHBondContact N-O 2.82Å; L166-A174 PolarHBondContact O-N 3.22Å; L166-F176 HydrophobicContact CD1-CD2 4.29Å; L166-F176 HydrophobicContact CD1-CE2 3.72Å; L166-F176 HydrophobicContact CG-CD2 4.42Å; L166-F176 HydrophobicContact CG-CE2 4.23Å; L166-L191 HydrophobicContact CD2-CD1 3.77Å
167	V	95.3	Very high	84.5	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	118.7	175.5	-175.4	0	0	0	0	109.1	S147 R148 E165 R379	S147-V167 WeakPolarHBondContact CA-O 3.5Å; S147-V167 WeakPolarHBondContact CB-O 3.41Å; S147-V167 PolarHBondContact N-O 3.45Å; S147-V167 PolarHBondContact OG-O 2.85Å; R148-V167 HydrophobicContact CG-CB 3.65Å; R148-V167 HydrophobicContact CG-CG1 4.45Å; R148-V167 HydrophobicContact CG-CG2 3.97Å; R148-V167 PolarHBondContact N-O 3.3Å; R148-V167 PolarHBondContact O-N 2.89Å; E165-V167 HydrophobicContact CG-CG2 3.92Å; V167-R379 VanDerWaalsContact CG1-NH2 3.26Å
168	C	96	Very high	86.5	Confident	5 Å²	5	32.1 Å²	32.1	3%	0.034	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	156	-170.9	-54.9	0	0	0	0	112.4	A145 L166 D170 R172	A145-C168 CarbonylContact O-C 3.48Å; A145-C168 WeakPolarHBondContact O-CA 3.25Å; A145-C168 WeakPolarHBondContact O-CB 3.27Å; L166-C168 PolarHBondContact O-SG 2.95Å; C168-D170 VanDerWaalsContact C-N 3.26Å; C168-D170 WeakPolarHBondContact CB-OD1 3.43Å; C168-D170 PolarHBondContact O-N 3.31Å; C168-R172 HydrophobicContact CB-CG 4.03Å; C168-R172 WeakPolarHBondContact CB-O 3.2Å; C168-R172 PolarHBondContact N-O 3.27Å
169	K	95.6	Very high	88	Confident	30 Å²	30	35.8 Å²	35.8	13%	0.13	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-22	179	-61.5	170	-173.1	171.2	0	112.1	G144 A145 I171 I476 G477 Y525	G144-K169 PolarHBondContact O-NZ 3.35Å; A145-K169 WeakPolarHBondContact O-CG 3.47Å; A145-K169 PolarHBondContact O-N 3.2Å; K169-I171 VanDerWaalsContact C-N 3.28Å; K169-I171 PolarHBondContact O-N 3.25Å; K169-I476 HydrophobicContact CD-CG2 4.2Å; K169-I476 WeakPolarHBondContact CE-O 3.43Å; K169-I476 PolarHBondContact NZ-O 3.14Å; K169-I476 VanDerWaalsContact NZ-O 3.14Å; K169-G477 PolarHBondContact NZ-O 3.33Å; K169-Y525 HydrophobicContact CB-CD1 3.84Å; K169-Y525 HydrophobicContact CB-CD2 4.2Å; K169-Y525 HydrophobicContact CB-CE1 3.79Å; K169-Y525 HydrophobicContact CB-CE2 4.12Å; K169-Y525 HydrophobicContact CB-CG 4.07Å; K169-Y525 HydrophobicContact CD-CD1 3.62Å; K169-Y525 HydrophobicContact CD-CE1 4.09Å; K169-Y525 HydrophobicContact CD-CG 4.22Å; K169-Y525 HydrophobicContact CG-CD1 4.35Å; K169-Y525 HydrophobicContact CG-CE1 4.49Å
170	D	94.1	Very high	88.7	Confident	6 Å²	6	34.5 Å²	34.5	3%	0.032	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	31.5	-179.6	63.8	-7.2	0	0	0	113.1	C168 R172 R594 W595	C168-D170 VanDerWaalsContact C-N 3.26Å; C168-D170 WeakPolarHBondContact CB-OD1 3.43Å; C168-D170 PolarHBondContact O-N 3.31Å; D170-R172 PolarHBondContact O-N 3.26Å; D170-R172 VanDerWaalsContact O-N 3.14Å; D170-R172 WeakPolarHBondContact OD1-CG 3.33Å; D170-R172 IonicContact OD1-NE 3.14Å; D170-R172 PolarHBondContact OD1-NE 3.35Å; D170-R172 IonicContact OD2-CZ 3.58Å; D170-R172 IonicContact OD2-NE 3.82Å; D170-R172 PolarHBondContact OD2-NE 3.17Å; D170-R172 IonicContact OD2-NH2 2.7Å; D170-R172 PolarHBondContact OD2-NH2 3.02Å; D170-R594 IonicContact OD2-NH2 3.82Å; D170-W595 HydrophobicContact CB-CZ2 4.43Å; D170-W595 PolarHBondContact O-NE1 3.12Å; D170-W595 VanDerWaalsContact OD2-CZ2 3.23Å; D170-W595 WeakPolarHBondContact OD2-CZ2 3.15Å
171	I	92	Very high	89.4	Confident	9 Å²	9	32.6 Å²	32.6	5%	0.046	16%	0.155	C	C	.	.	S	Bend	trans	71.8	-3.2	171.7	-48.2	-61.3	0	0	0	115.7	K169 L375 R379 Y383 Y592	K169-I171 VanDerWaalsContact C-N 3.28Å; K169-I171 PolarHBondContact O-N 3.25Å; I171-L375 HydrophobicContact CD1-CD1 3.89Å; I171-L375 HydrophobicContact CD1-CD2 4.46Å; I171-L375 HydrophobicContact CD1-CG 4.11Å; I171-R379 HydrophobicContact CD1-CB 4.13Å; I171-R379 HydrophobicContact CG2-CB 4.12Å; I171-R379 HydrophobicContact CG2-CG 4.17Å; I171-Y383 WeakPolarHBondContact O-CB 3.34Å; I171-Y592 HydrophobicContact CG1-CD1 4.18Å
172	R	92.1	Very high	89.1	Confident	15 Å²	15	41.2 Å²	41.2	6%	0.057	19%	0.194	C	C	.	.			trans	-96.7	158.9	172.8	54	173.4	173.1	177.3	0.8	113.9	D140 C168 D170 Y383 W595	D140-R172 PolarHBondContact O-NH1 2.93Å; D140-R172 PolarHBondContact O-NH2 3.3Å; C168-R172 HydrophobicContact CB-CG 4.03Å; C168-R172 WeakPolarHBondContact CB-O 3.2Å; C168-R172 PolarHBondContact N-O 3.27Å; D170-R172 PolarHBondContact O-N 3.26Å; D170-R172 VanDerWaalsContact O-N 3.14Å; D170-R172 WeakPolarHBondContact OD1-CG 3.33Å; D170-R172 IonicContact OD1-NE 3.14Å; D170-R172 PolarHBondContact OD1-NE 3.35Å; D170-R172 IonicContact OD2-CZ 3.58Å; D170-R172 IonicContact OD2-NE 3.82Å; D170-R172 PolarHBondContact OD2-NE 3.17Å; D170-R172 IonicContact OD2-NH2 2.7Å; D170-R172 PolarHBondContact OD2-NH2 3.02Å; R172-Y383 HydrophobicContact CB-CD2 4.46Å; R172-Y383 HydrophobicContact CB-CE2 3.94Å; R172-W595 HydrophobicContact CB-CG 3.97Å; R172-W595 HydrophobicContact CG-CD2 4.36Å; R172-W595 HydrophobicContact CG-CG 4.31Å
173	S	94.1	Very high	88.4	Confident	5 Å²	5	44.2 Å²	44.2	4%	0.035	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	117.8	163.8	-83.1	0	0	0	0	110	E165 L166 R379 Y383	E165-S173 WeakPolarHBondContact OE1-CB 3.43Å; E165-S173 PolarHBondContact OE1-OG 3.43Å; L166-S173 VanDerWaalsContact O-CA 3.3Å; L166-S173 WeakPolarHBondContact O-CA 3.36Å; S173-R379 PolarHBondContact OG-NH2 3.14Å; S173-Y383 PolarHBondContact O-OH 2.93Å
174	A	94.5	Very high	87.3	Confident	2 Å²	2	47.2 Å²	47.2	2%	0.017	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	129.9	176.6	0	0	0	0	0	110.6	Y107 L139 E165 L166 F176	Y107-A174 HydrophobicContact CE2-CB 4.23Å; L139-A174 HydrophobicContact CD2-CB 4.15Å; E165-A174 CarbonylContact C-O 3.48Å; E165-A174 WeakPolarHBondContact CA-O 3.35Å; L166-A174 HydrophobicContact CB-CB 4.36Å; L166-A174 HydrophobicContact CD1-CB 4.32Å; L166-A174 HydrophobicContact CG-CB 4.48Å; L166-A174 PolarHBondContact N-O 2.82Å; L166-A174 PolarHBondContact O-N 3.22Å; A174-F176 HydrophobicContact CB-CE2 3.73Å; A174-F176 HydrophobicContact CB-CZ 4.24Å
175	R	95.2	Very high	86.4	Confident	105 Å²	105	50.3 Å²	50.3	40%	0.396	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	130.2	-176.6	-69.6	179.9	179.5	164.4	3	110.9	Y107 I108 I152 I164 E165	Y107-R175 VanDerWaalsContact CD2-O 3.25Å; Y107-R175 WeakPolarHBondContact CD2-O 3.11Å; I108-R175 HydrophobicContact CB-CB 4.01Å; I108-R175 HydrophobicContact CD1-CB 4.32Å; I108-R175 HydrophobicContact CG1-CB 4.44Å; I108-R175 PolarHBondContact N-O 2.88Å; I152-R175 HydrophobicContact CD1-CB 4.04Å; I152-R175 HydrophobicContact CD1-CG 4.24Å; I164-R175 CarbonylContact O-C 3.44Å; I164-R175 WeakPolarHBondContact O-CA 3.37Å; E165-R175 HydrophobicContact CB-CG 3.93Å; E165-R175 HydrophobicContact CG-CG 3.84Å; E165-R175 IonicContact OE1-NE 3.59Å; E165-R175 IonicContact OE1-NH2 2.72Å; E165-R175 IonicContact OE2-CZ 2.62Å; E165-R175 VanDerWaalsContact OE2-CZ 3.22Å; E165-R175 IonicContact OE2-NE 3.97Å; E165-R175 PolarHBondContact OE2-NE 2.8Å; E165-R175 IonicContact OE2-NH2 3.74Å; E165-R175 PolarHBondContact OE2-NH2 2.9Å
176	F	94.5	Very high	85.9	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	147	179.6	-57.8	-89.7	0	0	0	110.8	V105 M106 Y107 L119 L126 F128 L139 G163 I164 L166 A174	V105-F176 HydrophobicContact CG1-CB 4.01Å; V105-F176 HydrophobicContact CG1-CD1 3.88Å; V105-F176 HydrophobicContact CG1-CG 4.37Å; M106-F176 CarbonylContact O-C 3.59Å; M106-F176 VanDerWaalsContact O-CA 3.27Å; M106-F176 WeakPolarHBondContact O-CA 3.41Å; Y107-F176 HydrophobicContact CD2-CD1 4.04Å; Y107-F176 AromaticContact CD2-CE1 3.65Å; Y107-F176 HydrophobicContact CD2-CE1 3.65Å; Y107-F176 HydrophobicContact CD2-CE2 4.48Å; Y107-F176 AromaticContact CD2-CZ 3.91Å; Y107-F176 HydrophobicContact CD2-CZ 3.91Å; Y107-F176 HydrophobicContact CE2-CZ 4.48Å; Y107-F176 HydrophobicContact CG-CD1 4.44Å; Y107-F176 HydrophobicContact CG-CE1 4.05Å; L119-F176 HydrophobicContact CD1-CD1 4.4Å; L119-F176 HydrophobicContact CD1-CE1 4.02Å; L119-F176 HydrophobicContact CD1-CZ 4.25Å; L126-F176 HydrophobicContact CD1-CE2 4.41Å; L126-F176 HydrophobicContact CD2-CE2 4.08Å; L126-F176 HydrophobicContact CD2-CZ 3.74Å; F128-F176 HydrophobicContact CB-CE1 4Å; F128-F176 HydrophobicContact CB-CZ 4.45Å; F128-F176 HydrophobicContact CD2-CD1 4.39Å; F128-F176 AromaticContact CD2-CE1 3.95Å; F128-F176 HydrophobicContact CD2-CE1 3.95Å; F128-F176 AromaticContact CG-CE1 3.93Å; F128-F176 HydrophobicContact CG-CE1 3.93Å; L139-F176 HydrophobicContact CD2-CE1 4.25Å; L139-F176 HydrophobicContact CD2-CZ 3.63Å; G163-F176 CarbonylContact C-O 3.51Å; G163-F176 WeakPolarHBondContact CA-O 3.29Å; I164-F176 HydrophobicContact CG2-CB 4.2Å; I164-F176 HydrophobicContact CG2-CD2 4.47Å; I164-F176 PolarHBondContact N-O 2.97Å; I164-F176 PolarHBondContact O-N 2.89Å; L166-F176 HydrophobicContact CD1-CD2 4.29Å; L166-F176 HydrophobicContact CD1-CE2 3.72Å; L166-F176 HydrophobicContact CG-CD2 4.42Å; L166-F176 HydrophobicContact CG-CE2 4.23Å; A174-F176 HydrophobicContact CB-CE2 3.73Å; A174-F176 HydrophobicContact CB-CZ 4.24Å
177	T	92.1	Very high	85.6	Confident	4 Å²	4	53.9 Å²	53.9	3%	0.025	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	143	167.1	57.5	0	0	0	0	109.5	M106 I108 V154 K162	M106-T177 WeakPolarHBondContact CB-OG1 3.45Å; M106-T177 VanDerWaalsContact CE-OG1 3.28Å; M106-T177 WeakPolarHBondContact CE-OG1 3.41Å; M106-T177 PolarHBondContact N-O 3.01Å; M106-T177 PolarHBondContact O-N 3.05Å; I108-T177 HydrophobicContact CD1-CG2 4.03Å; V154-T177 HydrophobicContact CB-CG2 4.1Å; V154-T177 HydrophobicContact CG2-CG2 3.46Å; V154-T177 VanDerWaalsContact CG2-CG2 3.46Å; K162-T177 WeakPolarHBondContact O-CA 3.5Å
178	Y	87.8	Confident	85.3	Confident	11 Å²	11	56.5 Å²	56.5	4%	0.043	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	157.1	-174.9	52.9	-89.1	0	0	0	110.3	K162 I164 I187	K162-Y178 PolarHBondContact O-N 3.17Å; I164-Y178 HydrophobicContact CB-CE1 4.41Å; I164-Y178 HydrophobicContact CG2-CE1 4.01Å; Y178-I187 HydrophobicContact CD1-CD1 3.71Å; Y178-I187 HydrophobicContact CD2-CD1 3.61Å; Y178-I187 HydrophobicContact CD2-CG1 4.42Å; Y178-I187 HydrophobicContact CE1-CB 4.24Å; Y178-I187 HydrophobicContact CE1-CD1 3.88Å; Y178-I187 HydrophobicContact CE1-CG2 4.31Å; Y178-I187 HydrophobicContact CE2-CB 4.18Å; Y178-I187 HydrophobicContact CE2-CD1 3.79Å; Y178-I187 HydrophobicContact CE2-CG1 4.17Å; Y178-I187 HydrophobicContact CG-CD1 3.58Å
179	K	82.8	Confident	85.1	Confident	155 Å²	155	62.5 Å²	62.5	67%	0.674	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-91.7	126.5	171.8	-66.3	-172.7	178.3	-169.8	0	108.5	E181	K179-E181 PolarHBondContact O-N 3.06Å
180	P	71.4	Confident	85	Confident	90 Å²	90	61.8 Å²	61.8	58%	0.584	30%	0.302	S	S	*	.	P	Polyproline II helix	trans	-65.7	133.1	175.4	25.3	-30.2	0	0	0	110
181	E	73.9	Confident	85	Confident	111 Å²	111	61.5 Å²	61.5	52%	0.519	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-103.1	134.9	169.9	-68.5	-174.2	179.8	0	0	109	K179 N183 Q184	K179-E181 PolarHBondContact O-N 3.06Å; E181-N183 PolarHBondContact O-N 2.86Å; E181-N183 VanDerWaalsContact O-N 3.11Å; E181-Q184 HydrophobicContact CB-CB 4.41Å; E181-Q184 HydrophobicContact CB-CG 4.23Å; E181-Q184 PolarHBondContact O-N 2.9Å; E181-Q184 VanDerWaalsContact OE2-CD 3.31Å; E181-Q184 PolarHBondContact OE2-NE2 2.86Å
182	E	66.9	Low	85.1	Confident	201 Å²	201	62.2 Å²	62.2	94%	0.939	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-22.5	-176.3	-68.9	-176.3	166.2	0	0	114.1
183	N	65.8	Low	85.3	Confident	162 Å²	162	66.1 Å²	66.1	87%	0.866	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	5.9	-174.3	-69.7	-25.9	0	0	0	114.5	E181	E181-N183 PolarHBondContact O-N 2.86Å; E181-N183 VanDerWaalsContact O-N 3.11Å
184	Q	65.2	Low	85.3	Confident	65 Å²	65	67 Å²	67	30%	0.304	33%	0.328	S	S	.	.	S	Bend	trans	-114.8	146.2	179.3	-65.9	-162.8	15	0	0	111.6	E181	E181-Q184 HydrophobicContact CB-CB 4.41Å; E181-Q184 HydrophobicContact CB-CG 4.23Å; E181-Q184 PolarHBondContact O-N 2.9Å; E181-Q184 VanDerWaalsContact OE2-CD 3.31Å; E181-Q184 PolarHBondContact OE2-NE2 2.86Å
185	P	73.5	Confident	85.4	Confident	67 Å²	67	67 Å²	67	44%	0.435	33%	0.328	S	S	.	.			trans	-61.3	144.5	174.4	28.1	-34.7	0	0	0	110.3	V100 I187 V190	V100-P185 HydrophobicContact CB-CG 4.28Å; V100-P185 HydrophobicContact CG2-CG 4.01Å; P185-I187 PolarHBondContact O-N 3.41Å; P185-V190 HydrophobicContact CB-CG2 3.88Å; P185-V190 HydrophobicContact CG-CG2 4.04Å
186	E	84.7	Confident	85.5	Confident	83 Å²	83	62.1 Å²	62.1	39%	0.388	31%	0.309	S	S	.	.			trans	-65.4	126.3	-179.4	-168.9	161.5	-152.6	0	0	109.6	K162 E188 E189 V190	K162-E186 IonicContact NZ-OE1 3.56Å; K162-E186 PolarHBondContact NZ-OE1 3.5Å; E186-E188 HydrophobicContact CG-CB 4.43Å; E186-E188 PolarHBondContact O-N 2.81Å; E186-E188 VanDerWaalsContact O-N 3.15Å; E186-E189 HydrophobicContact CB-CB 4.35Å; E186-E189 WeakPolarHBondContact O-CB 3.44Å; E186-E189 PolarHBondContact O-N 3.06Å; E186-V190 PolarHBondContact O-N 2.99Å; E186-V190 VanDerWaalsContact O-N 3.14Å
187	I	89.4	Confident	85.6	Confident	5 Å²	5	62.8 Å²	62.8	3%	0.026	31%	0.313	C	S	.	.	H	α-helix	trans	-53.3	-39.4	-176.2	-67.3	177.9	0	0	0	111.5	V102 L119 I121 Y178 P185 V190 L191	V102-I187 HydrophobicContact CB-CD1 4.17Å; V102-I187 HydrophobicContact CG1-CD1 4.19Å; V102-I187 HydrophobicContact CG2-CD1 3.73Å; V102-I187 HydrophobicContact CG2-CG1 3.9Å; L119-I187 HydrophobicContact CD2-CD1 4.26Å; L119-I187 HydrophobicContact CD2-CG2 4.34Å; I121-I187 HydrophobicContact CD1-CG2 3.83Å; Y178-I187 HydrophobicContact CD1-CD1 3.71Å; Y178-I187 HydrophobicContact CD2-CD1 3.61Å; Y178-I187 HydrophobicContact CD2-CG1 4.42Å; Y178-I187 HydrophobicContact CE1-CB 4.24Å; Y178-I187 HydrophobicContact CE1-CD1 3.88Å; Y178-I187 HydrophobicContact CE1-CG2 4.31Å; Y178-I187 HydrophobicContact CE2-CB 4.18Å; Y178-I187 HydrophobicContact CE2-CD1 3.79Å; Y178-I187 HydrophobicContact CE2-CG1 4.17Å; Y178-I187 HydrophobicContact CG-CD1 3.58Å; P185-I187 PolarHBondContact O-N 3.41Å; I187-V190 PolarHBondContact O-N 3.27Å; I187-L191 HydrophobicContact CG2-CD1 3.74Å; I187-L191 HydrophobicContact CG2-CG 4.38Å; I187-L191 WeakPolarHBondContact O-CB 3.43Å; I187-L191 WeakPolarHBondContact O-CG 3.33Å; I187-L191 PolarHBondContact O-N 2.76Å
188	E	89.5	Confident	85.8	Confident	56 Å²	56	67.2 Å²	67.2	26%	0.262	34%	0.336	S	S	.	.	H	α-helix	trans	-64.9	-39.2	179.1	-171.7	165.6	-169.8	0	0	112.2	S151 I164 E186 L191 S192	S151-E188 PolarHBondContact OG-OE1 3.43Å; S151-E188 VanDerWaalsContact OG-OE1 3.11Å; I164-E188 HydrophobicContact CD1-CB 4.06Å; I164-E188 HydrophobicContact CD1-CG 3.99Å; E186-E188 HydrophobicContact CG-CB 4.43Å; E186-E188 PolarHBondContact O-N 2.81Å; E186-E188 VanDerWaalsContact O-N 3.15Å; E188-L191 PolarHBondContact O-N 2.9Å; E188-S192 WeakPolarHBondContact O-CB 3.4Å; E188-S192 PolarHBondContact O-N 2.62Å
189	E	91.6	Very high	86.1	Confident	131 Å²	131	69.4 Å²	69.4	61%	0.612	35%	0.353	S	S	*	.	H	α-helix	trans	-65.3	-46.6	176.4	-172.1	-171.9	168.9	0	0	111.1	E186 L191 S192 K193	E186-E189 HydrophobicContact CB-CB 4.35Å; E186-E189 WeakPolarHBondContact O-CB 3.44Å; E186-E189 PolarHBondContact O-N 3.06Å; E189-L191 PolarHBondContact O-N 2.8Å; E189-S192 PolarHBondContact O-N 3.05Å; E189-K193 VanDerWaalsContact O-CB 3.31Å; E189-K193 WeakPolarHBondContact O-CB 3.16Å; E189-K193 PolarHBondContact O-N 2.81Å
190	V	93.7	Very high	86.6	Confident	15 Å²	15	64.5 Å²	64.5	9%	0.091	34%	0.338	C	S	.	.	H	α-helix	trans	-62.7	-44	177.9	-177.8	0	0	0	0	110.6	Q99 V100 I121 P185 E186 I187 H194	Q99-V190 HydrophobicContact CB-CG1 3.66Å; Q99-V190 HydrophobicContact CG-CG1 4.41Å; V100-V190 HydrophobicContact CG1-CB 4.33Å; V100-V190 HydrophobicContact CG1-CG1 4.05Å; V100-V190 HydrophobicContact CG1-CG2 4.26Å; I121-V190 HydrophobicContact CB-CG1 4.49Å; I121-V190 HydrophobicContact CG2-CG1 3.92Å; P185-V190 HydrophobicContact CB-CG2 3.88Å; P185-V190 HydrophobicContact CG-CG2 4.04Å; E186-V190 PolarHBondContact O-N 2.99Å; E186-V190 VanDerWaalsContact O-N 3.14Å; I187-V190 PolarHBondContact O-N 3.27Å; V190-H194 PolarHBondContact O-CD2 2.95Å; V190-H194 VanDerWaalsContact O-CD2 3.25Å; V190-H194 PolarHBondContact O-N 3.21Å; V190-H194 VanDerWaalsContact O-N 3.1Å
191	L	94.9	Very high	87.7	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-64.9	-46.2	177.5	-77.4	169.8	0	0	0	112.1	I121 L126 L143 I146 L149 I164 L166 I187 E188 E189 K193 H194 A195	I121-L191 HydrophobicContact CD1-CD1 4.18Å; I121-L191 HydrophobicContact CD1-CD2 3.87Å; I121-L191 HydrophobicContact CD1-CG 3.72Å; I121-L191 HydrophobicContact CG1-CD2 4.09Å; I121-L191 HydrophobicContact CG1-CG 4.48Å; I121-L191 HydrophobicContact CG2-CD2 4.14Å; L126-L191 HydrophobicContact CD1-CD1 4.25Å; L126-L191 HydrophobicContact CD1-CD2 3.86Å; L143-L191 HydrophobicContact CD2-CD2 3.7Å; I146-L191 HydrophobicContact CD1-CD2 4.4Å; L149-L191 HydrophobicContact CD1-CB 3.78Å; L149-L191 HydrophobicContact CD2-CB 4.26Å; L149-L191 HydrophobicContact CD2-CD1 4.44Å; I164-L191 HydrophobicContact CD1-CD1 3.81Å; L166-L191 HydrophobicContact CD2-CD1 3.77Å; I187-L191 HydrophobicContact CG2-CD1 3.74Å; I187-L191 HydrophobicContact CG2-CG 4.38Å; I187-L191 WeakPolarHBondContact O-CB 3.43Å; I187-L191 WeakPolarHBondContact O-CG 3.33Å; I187-L191 PolarHBondContact O-N 2.76Å; E188-L191 PolarHBondContact O-N 2.9Å; E189-L191 PolarHBondContact O-N 2.8Å; L191-K193 VanDerWaalsContact C-N 3.31Å; L191-K193 PolarHBondContact O-N 2.89Å; L191-H194 PolarHBondContact O-N 3.16Å; L191-A195 WeakPolarHBondContact O-CA 3Å; L191-A195 WeakPolarHBondContact O-CB 3.26Å; L191-A195 PolarHBondContact O-N 3.18Å
192	S	93.9	Very high	88.7	Confident	24 Å²	24	63.4 Å²	63.4	17%	0.168	34%	0.339	C	S	.	.	H	α-helix	trans	-59	-46.5	178.9	179.9	0	0	0	0	110.3	E188 E189 H194 F196 E481	E188-S192 WeakPolarHBondContact O-CB 3.4Å; E188-S192 PolarHBondContact O-N 2.62Å; E189-S192 PolarHBondContact O-N 3.05Å; S192-H194 PolarHBondContact O-N 3.22Å; S192-F196 WeakPolarHBondContact O-CB 3.33Å; S192-F196 WeakPolarHBondContact O-CD2 3.47Å; S192-F196 PolarHBondContact O-N 3.44Å; S192-E481 PolarHBondContact OG-OE1 2.92Å
193	K	95.1	Very high	90.1	Very high	97 Å²	97	57.2 Å²	57.2	42%	0.422	32%	0.317	S	S	.	.	H	α-helix	trans	-57.8	-44.8	178.2	-176.2	179	-179.7	-178.8	0	113.8	E189 L191 L202	E189-K193 VanDerWaalsContact O-CB 3.31Å; E189-K193 WeakPolarHBondContact O-CB 3.16Å; E189-K193 PolarHBondContact O-N 2.81Å; L191-K193 VanDerWaalsContact C-N 3.31Å; L191-K193 PolarHBondContact O-N 2.89Å; K193-L202 HydrophobicContact CD-CD1 4.36Å; K193-L202 HydrophobicContact CG-CD1 3.56Å
194	H	95.7	Very high	91.6	Very high	24 Å²	24	51 Å²	51	11%	0.111	28%	0.282	C	S	.	.	H	α-helix	trans	-97.3	-21.8	-171.5	-69.7	-77.8	0	0	0	114.4	Q99 L143 V190 L191 S192	Q99-H194 PolarHBondContact OE1-NE2 2.96Å; L143-H194 HydrophobicContact CD1-CB 3.55Å; V190-H194 PolarHBondContact O-CD2 2.95Å; V190-H194 VanDerWaalsContact O-CD2 3.25Å; V190-H194 PolarHBondContact O-N 3.21Å; V190-H194 VanDerWaalsContact O-N 3.1Å; L191-H194 PolarHBondContact O-N 3.16Å; S192-H194 PolarHBondContact O-N 3.22Å
195	A	96.6	Very high	93.1	Very high	2 Å²	2	48.5 Å²	48.5	2%	0.017	27%	0.27	C	S	.	.	H	α-helix	trans	-81.6	-27.3	170.9	0	0	0	0	0	112.7	L143 I146 L191 P197	L143-A195 HydrophobicContact CB-CB 4.15Å; I146-A195 HydrophobicContact CB-CB 4.17Å; I146-A195 HydrophobicContact CD1-CB 4.12Å; I146-A195 HydrophobicContact CG2-CB 4.48Å; L191-A195 WeakPolarHBondContact O-CA 3Å; L191-A195 WeakPolarHBondContact O-CB 3.26Å; L191-A195 PolarHBondContact O-N 3.18Å; A195-P197 VanDerWaalsContact O-CD 3.28Å; A195-P197 WeakPolarHBondContact O-CD 3.42Å
196	F	97.3	Very high	94.3	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.009	25%	0.25	C	C	.	.			trans	-119.2	56.8	179.7	-45.7	-62.4	0	0	0	113	I146 L149 S192 L198 S199 C200 G479 E481	I146-F196 HydrophobicContact CG2-CZ 4.06Å; L149-F196 HydrophobicContact CD1-CE2 3.87Å; L149-F196 HydrophobicContact CG-CE2 3.92Å; L149-F196 HydrophobicContact CG-CZ 4.25Å; S192-F196 WeakPolarHBondContact O-CB 3.33Å; S192-F196 WeakPolarHBondContact O-CD2 3.47Å; S192-F196 PolarHBondContact O-N 3.44Å; F196-L198 PolarHBondContact O-N 3.39Å; F196-S199 PolarHBondContact O-N 2.83Å; F196-S199 VanDerWaalsContact O-N 3.13Å; F196-C200 PolarHBondContact O-N 3.14Å; F196-C200 VanDerWaalsContact O-N 3.16Å; F196-G479 CarbonylContact C-O 3.53Å; F196-G479 WeakPolarHBondContact CA-O 3.46Å; F196-G479 WeakPolarHBondContact CB-O 3.41Å; F196-E481 HydrophobicContact CB-CB 3.95Å; F196-E481 HydrophobicContact CD1-CB 4.1Å; F196-E481 HydrophobicContact CD2-CB 3.81Å; F196-E481 HydrophobicContact CD2-CG 3.69Å; F196-E481 HydrophobicContact CE2-CB 4.37Å; F196-E481 HydrophobicContact CE2-CG 3.86Å; F196-E481 HydrophobicContact CG-CB 3.67Å; F196-E481 HydrophobicContact CG-CG 4.08Å; F196-E481 HydrophobicContact CZ-CG 4.37Å
197	P	96.3	Very high	94.9	Very high	13 Å²	13	44.7 Å²	44.7	8%	0.084	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-32.3	-176	24.1	-35.6	0	0	0	113.2	A195 C200 S201 L202 F204	A195-P197 VanDerWaalsContact O-CD 3.28Å; A195-P197 WeakPolarHBondContact O-CD 3.42Å; P197-C200 CarbonylContact O-C 3.54Å; P197-C200 PolarHBondContact O-N 2.71Å; P197-S201 PolarHBondContact O-N 3.35Å; P197-L202 HydrophobicContact CB-CB 3.83Å; P197-L202 PolarHBondContact O-N 3.04Å; P197-F204 HydrophobicContact CG-CD1 3.69Å; P197-F204 HydrophobicContact CG-CE1 3.87Å
198	L	94.9	Very high	95.3	Very high	98 Å²	98	47.9 Å²	47.9	51%	0.513	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-44.8	177.5	-177.2	67.3	0	0	0	111.2	F196 C200 S201 F204 G479 D480	F196-L198 PolarHBondContact O-N 3.39Å; L198-C200 PolarHBondContact O-N 3.18Å; L198-S201 PolarHBondContact O-N 2.73Å; L198-F204 HydrophobicContact CB-CZ 4.13Å; L198-G479 WeakPolarHBondContact CA-O 3.47Å; L198-G479 VanDerWaalsContact CB-O 3.24Å; L198-G479 WeakPolarHBondContact CB-O 3.41Å; L198-G479 PolarHBondContact N-O 3.25Å; L198-D480 HydrophobicContact CD2-CB 4.43Å
199	S	94.6	Very high	95.7	Very high	57 Å²	57	45.7 Å²	45.7	40%	0.399	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-26.8	175.6	-63.8	0	0	0	0	112.7	F196 G479 E481	F196-S199 PolarHBondContact O-N 2.83Å; F196-S199 VanDerWaalsContact O-N 3.13Å; S199-G479 PolarHBondContact N-O 3.29Å; S199-G479 VanDerWaalsContact N-O 3.08Å; S199-E481 PolarHBondContact OG-N 3.13Å
200	C	94.4	Very high	95.9	Very high	51 Å²	51	46.5 Å²	46.5	35%	0.345	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	9.9	178.6	-59.4	0	0	0	0	114.4	F196 P197 L198 L202	F196-C200 PolarHBondContact O-N 3.14Å; F196-C200 VanDerWaalsContact O-N 3.16Å; P197-C200 CarbonylContact O-C 3.54Å; P197-C200 PolarHBondContact O-N 2.71Å; L198-C200 PolarHBondContact O-N 3.18Å; C200-L202 HydrophobicContact CB-CD1 4.11Å; C200-L202 HydrophobicContact CB-CG 4.09Å; C200-L202 PolarHBondContact O-N 2.85Å
201	S	94.7	Very high	96	Very high	118 Å²	118	46.6 Å²	46.6	83%	0.825	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	32.1	-175.1	-55.3	0	0	0	0	114.3	P197 L198	P197-S201 PolarHBondContact O-N 3.35Å; L198-S201 PolarHBondContact O-N 2.73Å
202	L	94.9	Very high	95.9	Very high	60 Å²	60	53.9 Å²	53.9	31%	0.314	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-99.4	151.2	176.8	-65.4	178.1	0	0	0	111.2	K193 P197 C200	K193-L202 HydrophobicContact CD-CD1 4.36Å; K193-L202 HydrophobicContact CG-CD1 3.56Å; P197-L202 HydrophobicContact CB-CB 3.83Å; P197-L202 PolarHBondContact O-N 3.04Å; C200-L202 HydrophobicContact CB-CD1 4.11Å; C200-L202 HydrophobicContact CB-CG 4.09Å; C200-L202 PolarHBondContact O-N 2.85Å
203	P	94.6	Very high	96	Very high	72 Å²	72	54.1 Å²	54.1	47%	0.468	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-68.7	145.2	172	29.4	-34.4	0	0	0	111	F207	P203-F207 HydrophobicContact CB-CB 4.5Å
204	F	97.6	Very high	96.1	Very high	31 Å²	31	53.8 Å²	53.8	14%	0.136	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-62.4	153	168.6	-65.7	-75.1	0	0	0	111.4	P197 L198 A206 F207 H478 C527 L533	P197-F204 HydrophobicContact CG-CD1 3.69Å; P197-F204 HydrophobicContact CG-CE1 3.87Å; L198-F204 HydrophobicContact CB-CZ 4.13Å; F204-A206 PolarHBondContact O-N 2.83Å; F204-A206 VanDerWaalsContact O-N 3.17Å; F204-F207 HydrophobicContact CB-CD2 4.13Å; F204-F207 HydrophobicContact CB-CE2 4.43Å; F204-F207 HydrophobicContact CD2-CE2 4.35Å; F204-F207 PolarHBondContact O-N 2.77Å; F204-F207 VanDerWaalsContact O-N 3.08Å; F204-H478 HydrophobicContact CE1-CB 3.78Å; F204-H478 HydrophobicContact CZ-CB 3.84Å; F204-H478 WeakPolarHBondContact CZ-O 3.42Å; F204-C527 HydrophobicContact CB-CB 4.46Å; F204-C527 HydrophobicContact CD1-CB 4.06Å; F204-L533 HydrophobicContact CB-CD1 4.48Å; F204-L533 HydrophobicContact CD2-CD1 4.37Å; F204-L533 HydrophobicContact CD2-CD2 4.47Å; F204-L533 HydrophobicContact CG-CD2 4.48Å
205	F	97.9	Very high	96.1	Very high	12 Å²	12	55.4 Å²	55.4	5%	0.053	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-58.4	-29.5	177.9	-171.6	-104.6	0	0	0	113.3	L93 E96 Y124 F207 K208 Y209 L528	L93-F205 HydrophobicContact CD1-CE1 4.31Å; E96-F205 HydrophobicContact CB-CE2 4.05Å; E96-F205 HydrophobicContact CB-CZ 3.75Å; E96-F205 HydrophobicContact CG-CE2 4.39Å; E96-F205 HydrophobicContact CG-CZ 4.3Å; Y124-F205 HydrophobicContact CD1-CE1 4.42Å; Y124-F205 HydrophobicContact CD2-CB 3.87Å; Y124-F205 AromaticContact CD2-CD1 3.17Å; Y124-F205 HydrophobicContact CD2-CD1 3.17Å; Y124-F205 HydrophobicContact CD2-CD2 4.49Å; Y124-F205 AromaticContact CD2-CE1 3.82Å; Y124-F205 HydrophobicContact CD2-CE1 3.82Å; Y124-F205 AromaticContact CD2-CG 3.58Å; Y124-F205 HydrophobicContact CD2-CG 3.58Å; Y124-F205 AromaticContact CE2-CD1 3.83Å; Y124-F205 HydrophobicContact CE2-CD1 3.83Å; Y124-F205 HydrophobicContact CE2-CE1 4.43Å; Y124-F205 AromaticContact CG-CD1 3.59Å; Y124-F205 HydrophobicContact CG-CD1 3.59Å; Y124-F205 HydrophobicContact CG-CD2 4.48Å; Y124-F205 AromaticContact CG-CE1 3.8Å; Y124-F205 HydrophobicContact CG-CE1 3.8Å; Y124-F205 AromaticContact CG-CG 3.96Å; Y124-F205 HydrophobicContact CG-CG 3.96Å; Y124-F205 HydrophobicContact CG-CZ 4.36Å; F205-F207 PolarHBondContact O-N 3.27Å; F205-K208 HydrophobicContact CD2-CB 4.16Å; F205-K208 HydrophobicContact CD2-CD 4.28Å; F205-K208 HydrophobicContact CE2-CB 4.24Å; F205-K208 CarbonylContact O-C 3.44Å; F205-K208 WeakPolarHBondContact O-CA 3.31Å; F205-K208 WeakPolarHBondContact O-CB 3.38Å; F205-K208 PolarHBondContact O-N 2.87Å; F205-Y209 HydrophobicContact CE1-CD2 4.01Å; F205-Y209 HydrophobicContact CE1-CG 4.29Å; F205-Y209 PolarHBondContact O-N 3.12Å; F205-L528 HydrophobicContact CD1-CD1 3.62Å; F205-L528 HydrophobicContact CE1-CD1 3.53Å
206	A	98.3	Very high	96.2	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-51.6	-30.5	173.8	0	0	0	0	0	114.8	F204 C527 L528 L533 T549	F204-A206 PolarHBondContact O-N 2.83Å; F204-A206 VanDerWaalsContact O-N 3.17Å; A206-C527 WeakPolarHBondContact CB-O 3.42Å; A206-C527 PolarHBondContact N-O 3.1Å; A206-L528 VanDerWaalsContact CA-O 3.3Å; A206-L528 WeakPolarHBondContact CA-O 3.48Å; A206-L533 HydrophobicContact CB-CD1 3.91Å; A206-T549 HydrophobicContact CB-CG2 4.03Å; A206-T549 WeakPolarHBondContact O-CB 3.25Å; A206-T549 WeakPolarHBondContact O-CG2 3.44Å
207	F	98	Very high	96.2	Very high	70 Å²	70	59 Å²	59	31%	0.307	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-84.7	-11	177.3	-65.9	-87	0	0	0	113.4	P203 F204 F205 L533 V545 K548 T549	P203-F207 HydrophobicContact CB-CB 4.5Å; F204-F207 HydrophobicContact CB-CD2 4.13Å; F204-F207 HydrophobicContact CB-CE2 4.43Å; F204-F207 HydrophobicContact CD2-CE2 4.35Å; F204-F207 PolarHBondContact O-N 2.77Å; F204-F207 VanDerWaalsContact O-N 3.08Å; F205-F207 PolarHBondContact O-N 3.27Å; F207-L533 HydrophobicContact CE2-CD1 3.98Å; F207-V545 HydrophobicContact CZ-CG2 4.21Å; F207-K548 HydrophobicContact CD1-CB 3.84Å; F207-K548 HydrophobicContact CE1-CB 4.07Å; F207-T549 HydrophobicContact CD1-CG2 3.55Å; F207-T549 HydrophobicContact CD2-CG2 4.16Å; F207-T549 HydrophobicContact CE1-CG2 3.61Å; F207-T549 HydrophobicContact CE2-CG2 4.2Å; F207-T549 HydrophobicContact CG-CG2 3.85Å; F207-T549 HydrophobicContact CZ-CG2 3.94Å
208	K	97.4	Very high	96.3	Very high	72 Å²	72	59.6 Å²	59.6	31%	0.313	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-23.6	176	-64.7	179.5	173	179.5	0	112.7	D123 F205 K210	D123-K208 VanDerWaalsContact OD2-CD 3.3Å; D123-K208 WeakPolarHBondContact OD2-CD 3.31Å; D123-K208 IonicContact OD2-NZ 2.64Å; D123-K208 PolarHBondContact OD2-NZ 2.8Å; F205-K208 HydrophobicContact CD2-CB 4.16Å; F205-K208 HydrophobicContact CD2-CD 4.28Å; F205-K208 HydrophobicContact CE2-CB 4.24Å; F205-K208 CarbonylContact O-C 3.44Å; F205-K208 WeakPolarHBondContact O-CA 3.31Å; F205-K208 WeakPolarHBondContact O-CB 3.38Å; F205-K208 PolarHBondContact O-N 2.87Å; K208-K210 VanDerWaalsContact O-CG 3.27Å; K208-K210 WeakPolarHBondContact O-CG 3.23Å
209	Y	97.8	Very high	96.5	Very high	11 Å²	11	62.1 Å²	62.1	4%	0.043	33%	0.328	C	S	.	.			trans	-66.2	127.5	-176.7	-178.9	-129.2	0	0	0	111.3	L93 F205 E211 F213 L528 F529 V550	L93-Y209 HydrophobicContact CB-CD2 4.36Å; L93-Y209 HydrophobicContact CB-CE2 4.14Å; L93-Y209 HydrophobicContact CD1-CE2 4.34Å; F205-Y209 HydrophobicContact CE1-CD2 4.01Å; F205-Y209 HydrophobicContact CE1-CG 4.29Å; F205-Y209 PolarHBondContact O-N 3.12Å; Y209-E211 HydrophobicContact CD2-CB 4.27Å; Y209-E211 HydrophobicContact CE1-CB 3.98Å; Y209-E211 HydrophobicContact CE2-CB 3.43Å; Y209-E211 VanDerWaalsContact CE2-CB 3.43Å; Y209-E211 WeakPolarHBondContact CE2-OE2 3.4Å; Y209-E211 VanDerWaalsContact OH-CB 3.24Å; Y209-E211 WeakPolarHBondContact OH-CB 3.45Å; Y209-E211 VanDerWaalsContact OH-CD 3.26Å; Y209-E211 PolarHBondContact OH-OE2 2.8Å; Y209-F213 HydrophobicContact CE1-CE2 4.27Å; Y209-L528 HydrophobicContact CD1-CD1 3.86Å; Y209-L528 HydrophobicContact CD1-CG 4.17Å; Y209-L528 HydrophobicContact CD2-CD1 3.7Å; Y209-L528 HydrophobicContact CE1-CD1 4.02Å; Y209-L528 HydrophobicContact CE1-CD2 4.5Å; Y209-L528 HydrophobicContact CE1-CG 4.06Å; Y209-L528 HydrophobicContact CE2-CD1 3.88Å; Y209-L528 HydrophobicContact CG-CD1 3.67Å; Y209-L528 HydrophobicContact CG-CG 4.48Å; Y209-F529 HydrophobicContact CE1-CD1 4.33Å; Y209-F529 AromaticContact CE1-CE1 3.83Å; Y209-F529 HydrophobicContact CE1-CE1 3.83Å; Y209-F529 HydrophobicContact CE1-CZ 4.47Å; Y209-V550 HydrophobicContact CD1-CB 4.04Å; Y209-V550 HydrophobicContact CD1-CG2 3.85Å; Y209-V550 HydrophobicContact CE1-CB 4.15Å; Y209-V550 HydrophobicContact CE1-CG1 4.43Å; Y209-V550 HydrophobicContact CE1-CG2 4.13Å
210	K	95.1	Very high	96.6	Very high	148 Å²	148	59.8 Å²	59.8	64%	0.643	31%	0.311	S	S	*	.			trans	-119.1	8.7	-170.9	-57.1	-171.2	-180	176.8	0	114.8	P94 K208 Q212	P94-K210 HydrophobicContact CB-CB 4.12Å; P94-K210 PolarHBondContact O-N 2.83Å; K208-K210 VanDerWaalsContact O-CG 3.27Å; K208-K210 WeakPolarHBondContact O-CG 3.23Å; K210-Q212 PolarHBondContact O-NE2 3.35Å
211	E	95.3	Very high	96.8	Very high	16 Å²	16	58.8 Å²	58.8	8%	0.075	30%	0.3	C	S	.	.			trans	-63.4	143.1	179.5	-165.2	160.5	177.1	0	0	110.8	F79 P94 Y209 F213	F79-E211 PolarHBondContact N-OE1 3.1Å; P94-E211 HydrophobicContact CB-CB 4.44Å; P94-E211 HydrophobicContact CG-CB 3.97Å; P94-E211 HydrophobicContact CG-CG 4.31Å; Y209-E211 HydrophobicContact CD2-CB 4.27Å; Y209-E211 HydrophobicContact CE1-CB 3.98Å; Y209-E211 HydrophobicContact CE2-CB 3.43Å; Y209-E211 VanDerWaalsContact CE2-CB 3.43Å; Y209-E211 WeakPolarHBondContact CE2-OE2 3.4Å; Y209-E211 VanDerWaalsContact OH-CB 3.24Å; Y209-E211 WeakPolarHBondContact OH-CB 3.45Å; Y209-E211 VanDerWaalsContact OH-CD 3.26Å; Y209-E211 PolarHBondContact OH-OE2 2.8Å; E211-F213 HydrophobicContact CB-CE2 4.09Å; E211-F213 HydrophobicContact CB-CZ 4.39Å; E211-F213 HydrophobicContact CG-CE2 4Å; E211-F213 HydrophobicContact CG-CZ 3.91Å
212	Q	94.4	Very high	97	Very high	154 Å²	154	57.3 Å²	57.3	72%	0.72	28%	0.283	S	S	*	.			trans	-111.5	137.6	-177.9	-61.3	-61.3	-42.8	0	0	108.8	K210	K210-Q212 PolarHBondContact O-NE2 3.35Å
213	F	95.8	Very high	97.2	Very high	28 Å²	28	55.6 Å²	55.6	12%	0.123	28%	0.276	C	S	.	.			trans	-121.6	147.3	-179.5	-69.2	-79.2	0	0	0	109.6	F79 Y209 E211 V215 F529 V550 Y555	F79-F213 HydrophobicContact CB-CD1 4.25Å; F79-F213 HydrophobicContact CB-CE1 3.96Å; F79-F213 HydrophobicContact CG-CD1 4.45Å; Y209-F213 HydrophobicContact CE1-CE2 4.27Å; E211-F213 HydrophobicContact CB-CE2 4.09Å; E211-F213 HydrophobicContact CB-CZ 4.39Å; E211-F213 HydrophobicContact CG-CE2 4Å; E211-F213 HydrophobicContact CG-CZ 3.91Å; F213-V215 PolarHBondContact O-N 2.77Å; F213-F529 HydrophobicContact CE2-CE1 4.38Å; F213-V550 HydrophobicContact CD2-CG1 3.7Å; F213-V550 HydrophobicContact CE2-CG1 3.79Å; F213-Y555 AromaticContact CE1-CD2 3.82Å; F213-Y555 HydrophobicContact CE1-CD2 3.82Å; F213-Y555 HydrophobicContact CE1-CG 4.38Å; F213-Y555 HydrophobicContact CZ-CD2 4.02Å; F213-Y555 HydrophobicContact CZ-CG 4.43Å
214	P	96.5	Very high	97.3	Very high	91 Å²	91	54.8 Å²	54.8	59%	0.591	27%	0.27	S	S	*	.	S	Bend	trans	-63.7	-18.6	176.9	25.4	-36.4	0	0	0	113.8	F79 S558	F79-P214 HydrophobicContact CE1-CG 4.17Å; F79-P214 HydrophobicContact CE2-CG 4.34Å; F79-P214 HydrophobicContact CZ-CG 3.8Å; P214-S558 VanDerWaalsContact CD-OG 3.23Å; P214-S558 WeakPolarHBondContact CD-OG 3.41Å; P214-S558 WeakPolarHBondContact CG-OG 3.3Å
215	V	96.3	Very high	97.4	Very high	57 Å²	57	55.7 Å²	55.7	35%	0.345	28%	0.283	S	S	.	.	S	Bend	trans	-117.6	130.7	-178.6	-176.8	0	0	0	0	110	F213 G217 S554 N557	F213-V215 PolarHBondContact O-N 2.77Å; V215-G217 PolarHBondContact O-N 3.4Å; V215-S554 WeakPolarHBondContact O-CA 3.46Å; V215-S554 WeakPolarHBondContact O-CB 3.4Å; V215-S554 PolarHBondContact O-OG 2.94Å; V215-N557 HydrophobicContact CB-CB 4.45Å; V215-N557 HydrophobicContact CG1-CB 4.13Å
216	D	97.8	Very high	97.4	Very high	80 Å²	80	55.4 Å²	55.4	43%	0.428	28%	0.282	S	S	.	.			trans	-83.2	99.4	168.6	-178.1	9.2	0	0	0	110.4	W218 K219	D216-W218 PolarHBondContact O-N 2.94Å; D216-W218 WeakPolarHBondContact OD1-CB 3.36Å; D216-W218 PolarHBondContact OD1-N 3.17Å; D216-K219 HydrophobicContact CB-CG 4.23Å; D216-K219 PolarHBondContact O-N 3.31Å; D216-K219 VanDerWaalsContact O-N 3.13Å; D216-K219 WeakPolarHBondContact OD2-CG 3.4Å
217	G	98.2	Very high	97.4	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.01	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-64.1	-18.1	178	0	0	0	0	0	114.7	V215 K219 V220 S554	V215-G217 PolarHBondContact O-N 3.4Å; G217-K219 PolarHBondContact O-N 2.97Å; G217-V220 WeakPolarHBondContact O-CB 3.05Å; G217-V220 WeakPolarHBondContact O-CG1 3.37Å; G217-V220 PolarHBondContact O-N 3.46Å; G217-S554 WeakPolarHBondContact CA-OG 3.47Å; G217-S554 PolarHBondContact N-OG 3.25Å
218	W	98.4	Very high	97.4	Very high	24 Å²	24	56.4 Å²	56.4	9%	0.091	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-69.4	-14.7	173.8	-66.5	119.6	0	0	0	112.8	D216 V545 Q546 T549	D216-W218 PolarHBondContact O-N 2.94Å; D216-W218 WeakPolarHBondContact OD1-CB 3.36Å; D216-W218 PolarHBondContact OD1-N 3.17Å; W218-V545 HydrophobicContact CH2-CG1 4.04Å; W218-V545 HydrophobicContact CZ2-CG1 4.19Å; W218-Q546 HydrophobicContact CD2-CB 3.98Å; W218-Q546 HydrophobicContact CD2-CG 3.86Å; W218-Q546 HydrophobicContact CE3-CB 4.32Å; W218-Q546 HydrophobicContact CE3-CG 3.67Å; W218-Q546 HydrophobicContact CG-CB 4.15Å; W218-Q546 HydrophobicContact CG-CG 4.41Å; W218-Q546 HydrophobicContact CH2-CG 4.39Å; W218-Q546 HydrophobicContact CZ3-CG 3.96Å; W218-Q546 PolarHBondContact NE1-O 3.04Å; W218-Q546 VanDerWaalsContact NE1-O 3.13Å; W218-T549 WeakPolarHBondContact CZ2-OG1 3.32Å; W218-T549 PolarHBondContact NE1-O 3.15Å
219	K	98.1	Very high	97.5	Very high	152 Å²	152	57.2 Å²	57.2	66%	0.661	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-90.4	5	174.8	-55.3	-57.4	179	-173	0	113.9	D216 G217 Y221	D216-K219 HydrophobicContact CB-CG 4.23Å; D216-K219 PolarHBondContact O-N 3.31Å; D216-K219 VanDerWaalsContact O-N 3.13Å; D216-K219 WeakPolarHBondContact OD2-CG 3.4Å; G217-K219 PolarHBondContact O-N 2.97Å; K219-Y221 VanDerWaalsContact C-N 3.26Å; K219-Y221 PolarHBondContact O-N 3.38Å
220	V	98.3	Very high	97.5	Very high	7 Å²	7	57.7 Å²	57.7	4%	0.042	29%	0.294	C	S	.	.	S	Bend	trans	-62.9	-36.6	-178.6	75.6	0	0	0	0	112	G217 R455 Q458 V459 E462 W553	G217-V220 WeakPolarHBondContact O-CB 3.05Å; G217-V220 WeakPolarHBondContact O-CG1 3.37Å; G217-V220 PolarHBondContact O-N 3.46Å; V220-R455 HydrophobicContact CG2-CG 3.94Å; V220-R455 PolarHBondContact O-NH2 2.8Å; V220-Q458 HydrophobicContact CG1-CB 4.46Å; V220-Q458 HydrophobicContact CG2-CB 3.86Å; V220-V459 HydrophobicContact CG2-CG2 4.31Å; V220-V459 VanDerWaalsContact O-CG2 3.29Å; V220-V459 WeakPolarHBondContact O-CG2 3.01Å; V220-E462 HydrophobicContact CG1-CG 3.89Å; V220-W553 HydrophobicContact CG1-CG 4.05Å
221	Y	98.6	Very high	97.7	Very high	31 Å²	31	53 Å²	53	12%	0.122	29%	0.287	C	S	.	.			trans	-117.8	124.9	-175.4	174.6	-127.7	0	0	0	110.9	K219 P223 E226 V459 E462 K463	K219-Y221 VanDerWaalsContact C-N 3.26Å; K219-Y221 PolarHBondContact O-N 3.38Å; Y221-P223 HydrophobicContact CD1-CG 4.49Å; Y221-P223 HydrophobicContact CE1-CG 3.8Å; Y221-P223 HydrophobicContact CE2-CG 4.45Å; Y221-E226 HydrophobicContact CD2-CB 4.42Å; Y221-E226 HydrophobicContact CE2-CB 3.96Å; Y221-E226 HydrophobicContact CE2-CG 4.3Å; Y221-V459 HydrophobicContact CD2-CG1 3.85Å; Y221-V459 HydrophobicContact CE2-CG1 4.37Å; Y221-E462 HydrophobicContact CD1-CB 3.64Å; Y221-E462 HydrophobicContact CE1-CB 4.5Å; Y221-E462 HydrophobicContact CG-CB 3.73Å; Y221-K463 HydrophobicContact CE1-CB 4.35Å; Y221-K463 HydrophobicContact CE2-CB 3.84Å; Y221-K463 HydrophobicContact CE2-CD 4.19Å; Y221-K463 HydrophobicContact CE2-CG 4.32Å
222	D	98.4	Very high	97.8	Very high	86 Å²	86	52.4 Å²	52.4	46%	0.46	28%	0.284	S	S	.	.			trans	-123.1	116	165.7	173	-16.8	0	0	0	106.5	T224 A225 E226	D222-T224 VanDerWaalsContact C-N 3.26Å; D222-T224 PolarHBondContact O-N 2.77Å; D222-T224 PolarHBondContact OD1-N 2.87Å; D222-A225 HydrophobicContact CB-CB 3.78Å; D222-A225 PolarHBondContact O-N 2.77Å; D222-A225 PolarHBondContact OD1-N 3.41Å; D222-E226 PolarHBondContact O-N 2.85Å
223	P	98.1	Very high	98	Very high	24 Å²	24	48.7 Å²	48.7	16%	0.156	27%	0.274	C	S	.	.	H	α-helix	trans	-54.3	-41.6	-179	-25.1	32.1	0	0	0	113.1	Y221 E226 Y227 I255	Y221-P223 HydrophobicContact CD1-CG 4.49Å; Y221-P223 HydrophobicContact CE1-CG 3.8Å; Y221-P223 HydrophobicContact CE2-CG 4.45Å; P223-E226 PolarHBondContact O-N 2.97Å; P223-Y227 HydrophobicContact CB-CE2 4.45Å; P223-Y227 WeakPolarHBondContact O-CD2 3.45Å; P223-Y227 PolarHBondContact O-N 3.01Å; P223-I255 HydrophobicContact CB-CB 4.07Å; P223-I255 HydrophobicContact CB-CG1 4.37Å; P223-I255 HydrophobicContact CB-CG2 4.35Å
224	T	97.8	Very high	98	Very high	56 Å²	56	49.6 Å²	49.6	34%	0.344	28%	0.28	S	S	.	.	H	α-helix	trans	-70.4	-43	-177.5	-56.6	0	0	0	0	110.2	D222 E226 Y227 N228 I239	D222-T224 VanDerWaalsContact C-N 3.26Å; D222-T224 PolarHBondContact O-N 2.77Å; D222-T224 PolarHBondContact OD1-N 2.87Å; T224-E226 VanDerWaalsContact C-N 3.3Å; T224-E226 PolarHBondContact O-N 3.34Å; T224-Y227 PolarHBondContact O-N 3.42Å; T224-N228 WeakPolarHBondContact O-CB 3.41Å; T224-N228 PolarHBondContact O-N 2.86Å; T224-N228 PolarHBondContact O-ND2 3.05Å; T224-N228 PolarHBondContact O-OD1 3.47Å; T224-I239 HydrophobicContact CG2-CD1 4.39Å
225	A	98.5	Very high	98	Very high	50 Å²	50	54.1 Å²	54.1	41%	0.413	29%	0.293	S	S	.	.	H	α-helix	trans	-62.5	-37.8	176.6	0	0	0	0	0	112.2	D222 N228 R229	D222-A225 HydrophobicContact CB-CB 3.78Å; D222-A225 PolarHBondContact O-N 2.77Å; D222-A225 PolarHBondContact OD1-N 3.41Å; A225-N228 PolarHBondContact O-N 3.49Å; A225-R229 PolarHBondContact O-N 3.35Å
226	E	98.8	Very high	98	Very high	6 Å²	6	53.2 Å²	53.2	3%	0.028	29%	0.29	C	S	.	.	H	α-helix	trans	-67.9	-42.8	177.3	175	51.7	-155.4	0	0	112.4	Y221 D222 P223 T224 R229 Q230 Y450 Y451 V459 K463	Y221-E226 HydrophobicContact CD2-CB 4.42Å; Y221-E226 HydrophobicContact CE2-CB 3.96Å; Y221-E226 HydrophobicContact CE2-CG 4.3Å; D222-E226 PolarHBondContact O-N 2.85Å; P223-E226 PolarHBondContact O-N 2.97Å; T224-E226 VanDerWaalsContact C-N 3.3Å; T224-E226 PolarHBondContact O-N 3.34Å; E226-R229 WeakPolarHBondContact O-CB 3.2Å; E226-R229 PolarHBondContact O-N 3.25Å; E226-R229 IonicContact OE1-CZ 3.98Å; E226-R229 IonicContact OE1-NE 3.43Å; E226-R229 PolarHBondContact OE1-NE 2.9Å; E226-R229 IonicContact OE1-NH2 3.84Å; E226-R229 PolarHBondContact OE1-NH2 3.24Å; E226-R229 IonicContact OE2-NE 2.73Å; E226-R229 PolarHBondContact OE2-NE 3.24Å; E226-R229 VanDerWaalsContact OE2-NE 3.15Å; E226-R229 IonicContact OE2-NH2 3.05Å; E226-Q230 PolarHBondContact O-N 3.33Å; E226-Q230 PolarHBondContact OE1-NE2 3.14Å; E226-Y450 VanDerWaalsContact OE2-CE1 3.29Å; E226-Y450 WeakPolarHBondContact OE2-CE1 3.25Å; E226-Y451 WeakPolarHBondContact OE1-CE1 3.35Å; E226-Y451 VanDerWaalsContact OE1-CZ 3.32Å; E226-Y451 PolarHBondContact OE1-OH 2.65Å; E226-V459 HydrophobicContact CB-CG1 4.49Å; E226-V459 HydrophobicContact CG-CG1 4.14Å; E226-K463 HydrophobicContact CG-CD 3.79Å
227	Y	98.6	Very high	98	Very high	1 Å²	1	49.5 Å²	49.5	0%	0.004	27%	0.269	C	S	.	.	H	α-helix	trans	-67.8	-38	174.8	-67.5	-53.4	0	0	0	112	P223 T224 R229 Q230 G231 L232 I255 V257 L282	P223-Y227 HydrophobicContact CB-CE2 4.45Å; P223-Y227 WeakPolarHBondContact O-CD2 3.45Å; P223-Y227 PolarHBondContact O-N 3.01Å; T224-Y227 PolarHBondContact O-N 3.42Å; Y227-R229 VanDerWaalsContact C-N 3.3Å; Y227-R229 PolarHBondContact O-N 3.12Å; Y227-Q230 CarbonylContact O-C 3.53Å; Y227-Q230 PolarHBondContact O-N 2.75Å; Y227-G231 PolarHBondContact O-N 2.71Å; Y227-L232 HydrophobicContact CD1-CD1 4.11Å; Y227-L232 WeakPolarHBondContact O-CB 3.32Å; Y227-L232 PolarHBondContact O-N 2.87Å; Y227-I255 HydrophobicContact CD2-CG2 4.41Å; Y227-I255 HydrophobicContact CE2-CG2 4.2Å; Y227-V257 HydrophobicContact CD1-CG2 3.53Å; Y227-V257 HydrophobicContact CD2-CG2 3.64Å; Y227-V257 HydrophobicContact CE1-CB 4.28Å; Y227-V257 HydrophobicContact CE1-CG2 3.6Å; Y227-V257 HydrophobicContact CE2-CG2 3.72Å; Y227-V257 HydrophobicContact CG-CG2 3.56Å; Y227-L282 HydrophobicContact CD1-CD2 4.41Å; Y227-L282 HydrophobicContact CE1-CD2 4.24Å
228	N	98.4	Very high	98	Very high	89 Å²	89	51.5 Å²	51.5	48%	0.476	28%	0.283	S	S	.	.	H	α-helix	trans	-59.9	-39.7	173.4	-70.5	-15.6	0	0	0	111.9	T224 A225 Q230 G231 L232	T224-N228 WeakPolarHBondContact O-CB 3.41Å; T224-N228 PolarHBondContact O-N 2.86Å; T224-N228 PolarHBondContact O-ND2 3.05Å; T224-N228 PolarHBondContact O-OD1 3.47Å; A225-N228 PolarHBondContact O-N 3.49Å; N228-Q230 PolarHBondContact O-N 2.76Å; N228-G231 PolarHBondContact O-N 2.79Å; N228-L232 WeakPolarHBondContact CA-O 3.47Å; N228-L232 PolarHBondContact OD1-O 2.82Å
229	R	98.3	Very high	98	Very high	90 Å²	90	52.3 Å²	52.3	34%	0.34	29%	0.289	S	S	.	.	H	α-helix	trans	-58.3	-33.9	175	-172.7	-163.1	65.9	82.6	-2	111.9	A225 E226 Y227 G231 D448 Y450 Y451	A225-R229 PolarHBondContact O-N 3.35Å; E226-R229 WeakPolarHBondContact O-CB 3.2Å; E226-R229 PolarHBondContact O-N 3.25Å; E226-R229 IonicContact OE1-CZ 3.98Å; E226-R229 IonicContact OE1-NE 3.43Å; E226-R229 PolarHBondContact OE1-NE 2.9Å; E226-R229 IonicContact OE1-NH2 3.84Å; E226-R229 PolarHBondContact OE1-NH2 3.24Å; E226-R229 IonicContact OE2-NE 2.73Å; E226-R229 PolarHBondContact OE2-NE 3.24Å; E226-R229 VanDerWaalsContact OE2-NE 3.15Å; E226-R229 IonicContact OE2-NH2 3.05Å; Y227-R229 VanDerWaalsContact C-N 3.3Å; Y227-R229 PolarHBondContact O-N 3.12Å; R229-G231 VanDerWaalsContact C-N 3.27Å; R229-G231 PolarHBondContact O-N 3.44Å; R229-D448 IonicContact CZ-OD2 3.37Å; R229-D448 VanDerWaalsContact CZ-OD2 3.3Å; R229-D448 IonicContact NH1-OD1 3.15Å; R229-D448 PolarHBondContact NH1-OD1 3.31Å; R229-D448 IonicContact NH1-OD2 2.66Å; R229-D448 PolarHBondContact NH1-OD2 3.06Å; R229-D448 IonicContact NH2-OD2 3.42Å; R229-D448 PolarHBondContact NH2-OD2 3.43Å; R229-Y450 VanDerWaalsContact NE-CD1 3.28Å; R229-Y451 PolarHBondContact NH2-OH 3.12Å
230	Q	98.3	Very high	97.9	Very high	20 Å²	20	45.7 Å²	45.7	9%	0.093	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	4	177.5	-60.5	-178	38.3	0	0	113.7	E226 Y227 N228 L232 W284 I285 Y451	E226-Q230 PolarHBondContact O-N 3.33Å; E226-Q230 PolarHBondContact OE1-NE2 3.14Å; Y227-Q230 CarbonylContact O-C 3.53Å; Y227-Q230 PolarHBondContact O-N 2.75Å; N228-Q230 PolarHBondContact O-N 2.76Å; Q230-L232 HydrophobicContact CB-CD1 4.32Å; Q230-W284 VanDerWaalsContact OE1-CA 3.29Å; Q230-I285 HydrophobicContact CB-CG2 3.95Å; Q230-I285 WeakPolarHBondContact O-CG2 3.43Å; Q230-Y451 PolarHBondContact NE2-OH 3.15Å; Q230-Y451 VanDerWaalsContact NE2-OH 3.11Å
231	G	98.2	Very high	97.8	Very high	49 Å²	49	52.5 Å²	52.5	51%	0.505	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	25.5	179.9	0	0	0	0	0	114.4	Y227 N228 R229	Y227-G231 PolarHBondContact O-N 2.71Å; N228-G231 PolarHBondContact O-N 2.79Å; R229-G231 VanDerWaalsContact C-N 3.27Å; R229-G231 PolarHBondContact O-N 3.44Å
232	L	98	Very high	97.7	Very high	4 Å²	4	53.7 Å²	53.7	2%	0.021	30%	0.299	C	S	.	.			trans	-110	151.5	179.9	-61.6	165.1	0	0	0	111.2	Y227 N228 Q230 W237 V257 L282 I285	Y227-L232 HydrophobicContact CD1-CD1 4.11Å; Y227-L232 WeakPolarHBondContact O-CB 3.32Å; Y227-L232 PolarHBondContact O-N 2.87Å; N228-L232 WeakPolarHBondContact CA-O 3.47Å; N228-L232 PolarHBondContact OD1-O 2.82Å; Q230-L232 HydrophobicContact CB-CD1 4.32Å; L232-W237 HydrophobicContact CD2-CB 3.59Å; L232-W237 HydrophobicContact CD2-CG 4.09Å; L232-V257 HydrophobicContact CD1-CG1 4.18Å; L232-L282 HydrophobicContact CD1-CD1 4.13Å; L232-L282 HydrophobicContact CD1-CD2 3.56Å; L232-I285 HydrophobicContact CD1-CG2 3.98Å; L232-I285 HydrophobicContact CD2-CD1 4.43Å; L232-I285 HydrophobicContact CD2-CG2 4.39Å; L232-I285 HydrophobicContact CG-CG2 4.14Å
233	P	97.8	Very high	97.7	Very high	77 Å²	77	49.6 Å²	49.6	50%	0.5	28%	0.277	S	S	.	.	S	Bend	cis	-70.2	161.3	-4.6	33.1	-35.9	0	0	0	112	W237 I239	P233-W237 WeakPolarHBondContact CA-O 3.44Å; P233-W237 WeakPolarHBondContact CB-O 3.44Å; P233-I239 HydrophobicContact CB-CG1 4.33Å
234	N	96.9	Very high	97.7	Very high	46 Å²	46	52.1 Å²	52.1	25%	0.246	29%	0.288	C	S	.	.			trans	-139.5	-168.7	175.2	69.3	16.1	0	0	0	110.7	S236 W237 N260 Q290	N234-S236 PolarHBondContact O-N 3.38Å; N234-S236 PolarHBondContact OD1-N 3.42Å; N234-W237 PolarHBondContact N-O 2.88Å; N234-W237 VanDerWaalsContact O-O 3.09Å; N234-W237 PolarHBondContact OD1-N 3.32Å; N234-N260 PolarHBondContact O-ND2 2.88Å; N234-Q290 PolarHBondContact ND2-OE1 2.95Å; N234-Q290 VanDerWaalsContact ND2-OE1 3.16Å
235	E	95.6	Very high	97.7	Very high	186 Å²	186	55.8 Å²	55.8	87%	0.869	30%	0.302	S	S	*	.	S	Bend	trans	-64	-22.9	-179	-64.8	-172.4	172.2	0	0	113.8	N260	E235-N260 PolarHBondContact O-ND2 3.36Å
236	S	97.3	Very high	97.7	Very high	39 Å²	39	54.7 Å²	54.7	27%	0.273	29%	0.287	S	S	.	.	S	Bend	trans	-104.5	-21.5	-176.8	-52.7	0	0	0	0	113.8	N234 P259 N260	N234-S236 PolarHBondContact O-N 3.38Å; N234-S236 PolarHBondContact OD1-N 3.42Å; S236-P259 WeakPolarHBondContact O-CA 3.46Å; S236-N260 PolarHBondContact O-N 3.1Å
237	W	98.3	Very high	97.6	Very high	1 Å²	1	61.6 Å²	61.6	0%	0.004	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	135.5	-172.4	-62.4	94.4	0	0	0	111.9	L232 P233 N234 V257 L258 P259 N260 L282 A292 V294 I318 A321	L232-W237 HydrophobicContact CD2-CB 3.59Å; L232-W237 HydrophobicContact CD2-CG 4.09Å; P233-W237 WeakPolarHBondContact CA-O 3.44Å; P233-W237 WeakPolarHBondContact CB-O 3.44Å; N234-W237 PolarHBondContact N-O 2.88Å; N234-W237 VanDerWaalsContact O-O 3.09Å; N234-W237 PolarHBondContact OD1-N 3.32Å; W237-V257 HydrophobicContact CB-CG1 4Å; W237-V257 HydrophobicContact CE3-CG1 4Å; W237-L258 WeakPolarHBondContact CA-O 3.34Å; W237-P259 HydrophobicContact CE3-CG 4.28Å; W237-P259 HydrophobicContact CH2-CG 4.29Å; W237-P259 HydrophobicContact CZ3-CB 4.46Å; W237-P259 HydrophobicContact CZ3-CG 3.8Å; W237-N260 PolarHBondContact N-ND2 3.43Å; W237-L282 HydrophobicContact CD2-CD1 3.5Å; W237-L282 VanDerWaalsContact CD2-CD1 3.5Å; W237-L282 HydrophobicContact CE3-CB 4Å; W237-L282 HydrophobicContact CE3-CD1 3.64Å; W237-L282 HydrophobicContact CG-CD1 3.99Å; W237-L282 HydrophobicContact CH2-CB 4.37Å; W237-L282 HydrophobicContact CH2-CD1 4.11Å; W237-L282 HydrophobicContact CZ2-CD1 4Å; W237-L282 HydrophobicContact CZ3-CB 3.82Å; W237-L282 HydrophobicContact CZ3-CD1 3.94Å; W237-A292 HydrophobicContact CH2-CB 4.23Å; W237-A292 HydrophobicContact CZ2-CB 3.62Å; W237-V294 HydrophobicContact CH2-CG2 3.79Å; W237-I318 HydrophobicContact CH2-CB 4.47Å; W237-I318 HydrophobicContact CH2-CG1 3.93Å; W237-I318 HydrophobicContact CH2-CG2 4.16Å; W237-I318 HydrophobicContact CZ2-CG2 4.47Å; W237-I318 HydrophobicContact CZ3-CG1 4.5Å; W237-A321 HydrophobicContact CZ2-CB 4.22Å
238	C	97.3	Very high	97.6	Very high	44 Å²	44	61.7 Å²	61.7	30%	0.297	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	148.7	174.5	60.7	0	0	0	0	113	S240 V257 L258 N260	C238-S240 PolarHBondContact O-N 3.46Å; C238-V257 VanDerWaalsContact O-CA 3.3Å; C238-V257 WeakPolarHBondContact O-CA 3.38Å; C238-L258 PolarHBondContact N-O 3.2Å; C238-L258 PolarHBondContact O-N 3.31Å; C238-N260 WeakPolarHBondContact CB-OD1 3.42Å; C238-N260 PolarHBondContact N-OD1 3.07Å
239	I	97.6	Very high	97.6	Very high	40 Å²	40	57.5 Å²	57.5	21%	0.205	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	109.1	166.1	-58	-179.6	0	0	0	107.8	T224 P233 I255 V257	T224-I239 HydrophobicContact CG2-CD1 4.39Å; P233-I239 HydrophobicContact CB-CG1 4.33Å; I239-I255 HydrophobicContact CG2-CG2 3.45Å; I239-I255 VanDerWaalsContact CG2-CG2 3.45Å; I239-V257 HydrophobicContact CG1-CG2 4.09Å
240	S	96.7	Very high	97.6	Very high	13 Å²	13	57.1 Å²	57.1	9%	0.091	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	140.9	-176.8	179.9	0	0	0	0	112.2	C238 L242 L256	C238-S240 PolarHBondContact O-N 3.46Å; S240-L242 WeakPolarHBondContact OG-CB 3.5Å; S240-L242 VanDerWaalsContact OG-CG 3.26Å; S240-L242 WeakPolarHBondContact OG-CG 3.22Å; S240-L242 PolarHBondContact OG-N 3.14Å; S240-L256 PolarHBondContact N-O 3.08Å; S240-L256 PolarHBondContact O-N 3.37Å
241	K	96.1	Very high	97.7	Very high	150 Å²	150	57 Å²	57	65%	0.652	30%	0.303	S	S	*	.			trans	-106	12.5	172.7	-63.5	-176.1	-179.2	178.8	0	112.8	N243 L244 I255	K241-N243 PolarHBondContact O-N 2.91Å; K241-N243 VanDerWaalsContact O-N 3.14Å; K241-L244 HydrophobicContact CB-CB 4.49Å; K241-L244 VanDerWaalsContact O-CB 3.24Å; K241-L244 WeakPolarHBondContact O-CB 3.34Å; K241-L244 PolarHBondContact O-N 3.09Å; K241-I255 HydrophobicContact CG-CD1 4.11Å
242	L	96.9	Very high	97.7	Very high	57 Å²	57	54.7 Å²	54.7	30%	0.298	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-27.5	-179.9	-69	174.8	0	0	0	113	S240 L248 L258 E264 T267	S240-L242 WeakPolarHBondContact OG-CB 3.5Å; S240-L242 VanDerWaalsContact OG-CG 3.26Å; S240-L242 WeakPolarHBondContact OG-CG 3.22Å; S240-L242 PolarHBondContact OG-N 3.14Å; L242-L248 HydrophobicContact CB-CD2 4.22Å; L242-L258 HydrophobicContact CD1-CD1 4.16Å; L242-E264 HydrophobicContact CD1-CG 4.29Å; L242-E264 HydrophobicContact CD2-CB 4.25Å; L242-E264 VanDerWaalsContact CD2-CD 3.4Å; L242-E264 HydrophobicContact CD2-CG 3.6Å; L242-E264 WeakPolarHBondContact CD2-OE1 3.44Å; L242-T267 HydrophobicContact CD1-CG2 4.17Å
243	N	98.4	Very high	97.7	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	17.3	178	-155.6	45.5	0	0	0	113.8	K241 H245 Y246 L248 C249 Y252 P253 S254 L256	K241-N243 PolarHBondContact O-N 2.91Å; K241-N243 VanDerWaalsContact O-N 3.14Å; N243-H245 PolarHBondContact O-N 3.35Å; N243-H245 VanDerWaalsContact O-N 3.08Å; N243-Y246 PolarHBondContact O-N 2.97Å; N243-Y246 VanDerWaalsContact OD1-CA 3.28Å; N243-Y246 WeakPolarHBondContact OD1-CA 3.15Å; N243-L248 HydrophobicContact CB-CB 4.25Å; N243-L248 WeakPolarHBondContact OD1-CB 3.5Å; N243-L248 PolarHBondContact OD1-N 2.89Å; N243-C249 PolarHBondContact ND2-O 2.96Å; N243-C249 PolarHBondContact OD1-N 3.1Å; N243-C249 PolarHBondContact OD1-O 2.83Å; N243-Y252 PolarHBondContact ND2-O 2.81Å; N243-P253 PolarHBondContact ND2-O 3.17Å; N243-S254 CarbonylContact C-O 3.51Å; N243-S254 WeakPolarHBondContact O-CA 3.31Å; N243-L256 HydrophobicContact CB-CD1 3.66Å; N243-L256 HydrophobicContact CB-CG 4.14Å
244	L	97.9	Very high	97.7	Very high	76 Å²	76	51.8 Å²	51.8	40%	0.398	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-32.6	-174.9	-175.1	65.6	0	0	0	113.1	K241 S254	K241-L244 HydrophobicContact CB-CB 4.49Å; K241-L244 VanDerWaalsContact O-CB 3.24Å; K241-L244 WeakPolarHBondContact O-CB 3.34Å; K241-L244 PolarHBondContact O-N 3.09Å; L244-S254 PolarHBondContact N-O 3.03Å
245	H	97.9	Very high	97.8	Very high	134 Å²	134	50.4 Å²	50.4	62%	0.62	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	12.7	177.4	-58.8	-51.5	0	0	0	113.4	N243 E247	N243-H245 PolarHBondContact O-N 3.35Å; N243-H245 VanDerWaalsContact O-N 3.08Å; H245-E247 HydrophobicContact CB-CG 4.22Å; H245-E247 PolarHBondContact O-N 3.04Å
246	Y	98.3	Very high	98	Very high	27 Å²	27	41.5 Å²	41.5	11%	0.106	21%	0.212	C	C	.	.	S	Bend	trans	63.4	22.8	176.8	-45.3	-82.2	0	0	0	114.9	N243 C249 D250 Y252 E537 Q538 T541	N243-Y246 PolarHBondContact O-N 2.97Å; N243-Y246 VanDerWaalsContact OD1-CA 3.28Å; N243-Y246 WeakPolarHBondContact OD1-CA 3.15Å; Y246-C249 CarbonylContact O-C 3.54Å; Y246-D250 WeakPolarHBondContact O-CA 3.44Å; Y246-D250 PolarHBondContact O-N 3.03Å; Y246-Y252 WeakPolarHBondContact CD1-O 3.4Å; Y246-E537 HydrophobicContact CE1-CB 4.07Å; Y246-E537 HydrophobicContact CE1-CG 4.16Å; Y246-E537 WeakPolarHBondContact OH-CG 3.41Å; Y246-E537 PolarHBondContact OH-OE1 3.3Å; Y246-E537 VanDerWaalsContact OH-OE1 3.11Å; Y246-Q538 HydrophobicContact CD1-CB 3.9Å; Y246-Q538 HydrophobicContact CD2-CB 3.78Å; Y246-Q538 HydrophobicContact CD2-CG 3.58Å; Y246-Q538 HydrophobicContact CE1-CB 4.13Å; Y246-Q538 HydrophobicContact CE2-CB 4.03Å; Y246-Q538 HydrophobicContact CE2-CG 4.08Å; Y246-Q538 HydrophobicContact CG-CB 3.7Å; Y246-Q538 HydrophobicContact CG-CG 3.82Å; Y246-T541 PolarHBondContact OH-OG1 2.86Å
247	E	97.7	Very high	98	Very high	151 Å²	151	39.7 Å²	39.7	71%	0.706	20%	0.199	S	C	*	.	S	Bend	trans	-81.3	-34.6	-178.2	-63.1	179.3	171	0	0	112.5	H245	H245-E247 HydrophobicContact CB-CG 4.22Å; H245-E247 PolarHBondContact O-N 3.04Å
248	L	98.1	Very high	98	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.01	20%	0.2	C	C	.	.	S	Bend	trans	-66.7	-48.7	174.6	179.6	67.2	0	0	0	110	L242 N243 L256 T267 E268 A271 R277 L279	L242-L248 HydrophobicContact CB-CD2 4.22Å; N243-L248 HydrophobicContact CB-CB 4.25Å; N243-L248 WeakPolarHBondContact OD1-CB 3.5Å; N243-L248 PolarHBondContact OD1-N 2.89Å; L248-L256 HydrophobicContact CD2-CD1 4.07Å; L248-T267 HydrophobicContact CD1-CG2 4.4Å; L248-T267 HydrophobicContact CD2-CG2 4.12Å; L248-E268 VanDerWaalsContact CD1-CD 3.49Å; L248-E268 HydrophobicContact CD1-CG 4.25Å; L248-E268 WeakPolarHBondContact CD1-OE1 3.3Å; L248-A271 HydrophobicContact CD1-CB 3.58Å; L248-A271 HydrophobicContact CG-CB 4.33Å; L248-R277 WeakPolarHBondContact O-CB 3.27Å; L248-R277 PolarHBondContact O-NE 2.82Å; L248-R277 PolarHBondContact O-NH2 3.27Å; L248-L279 HydrophobicContact CD2-CD1 4.12Å; L248-L279 HydrophobicContact CD2-CD2 4.1Å; L248-L279 HydrophobicContact CG-CD2 4.33Å
249	C	98.6	Very high	98	Very high	1 Å²	1	38 Å²	38	1%	0.007	19%	0.187	C	C	.	.			trans	-152.3	115.1	174.9	-179.9	0	0	0	0	111.6	N243 Y246 T251 Y252 K276 R277 R278	N243-C249 PolarHBondContact ND2-O 2.96Å; N243-C249 PolarHBondContact OD1-N 3.1Å; N243-C249 PolarHBondContact OD1-O 2.83Å; Y246-C249 CarbonylContact O-C 3.54Å; C249-T251 PolarHBondContact O-N 3.05Å; C249-Y252 HydrophobicContact CB-CD2 4.23Å; C249-Y252 HydrophobicContact CB-CG 4.15Å; C249-Y252 PolarHBondContact O-N 2.71Å; C249-K276 PolarHBondContact SG-O 2.89Å; C249-R277 HydrophobicContact CB-CB 4.33Å; C249-R277 WeakPolarHBondContact CB-O 3.13Å; C249-R278 WeakPolarHBondContact SG-CG 3.4Å
250	D	98.6	Very high	97.6	Very high	82 Å²	82	37.8 Å²	37.8	44%	0.439	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-16.5	-175.8	64.3	-6.5	0	0	0	115.2	Y246	Y246-D250 WeakPolarHBondContact O-CA 3.44Å; Y246-D250 PolarHBondContact O-N 3.03Å
251	T	98.6	Very high	97.2	Very high	18 Å²	18	43.6 Å²	43.6	11%	0.11	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	4.2	-179.9	54.6	0	0	0	0	113.4	C249 R278 W433 F468	C249-T251 PolarHBondContact O-N 3.05Å; T251-R278 VanDerWaalsContact C-NH1 3.34Å; T251-R278 VanDerWaalsContact CB-NH1 3.29Å; T251-R278 PolarHBondContact O-NH1 3.49Å; T251-R278 PolarHBondContact OG1-NH1 3.45Å; T251-W433 HydrophobicContact CG2-CZ3 4.47Å; T251-F468 CarbonylContact O-C 3.32Å
252	Y	98.8	Very high	96.9	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	-99.7	162.9	172.7	-96.3	13.5	0	0	0	111.5	N243 Y246 C249 L256 R278 L279 V281 R295 F468	N243-Y252 PolarHBondContact ND2-O 2.81Å; Y246-Y252 WeakPolarHBondContact CD1-O 3.4Å; C249-Y252 HydrophobicContact CB-CD2 4.23Å; C249-Y252 HydrophobicContact CB-CG 4.15Å; C249-Y252 PolarHBondContact O-N 2.71Å; Y252-L256 HydrophobicContact CD2-CD1 4.12Å; Y252-L256 HydrophobicContact CD2-CD2 3.64Å; Y252-L256 HydrophobicContact CE2-CD2 4.4Å; Y252-L256 HydrophobicContact CG-CD2 4.16Å; Y252-R278 HydrophobicContact CD1-CB 4.46Å; Y252-R278 HydrophobicContact CD1-CG 4.06Å; Y252-R278 VanDerWaalsContact CD1-NH1 3.33Å; Y252-R278 HydrophobicContact CE1-CB 3.75Å; Y252-R278 HydrophobicContact CE1-CG 3.79Å; Y252-R278 HydrophobicContact CE2-CB 4.49Å; Y252-L279 HydrophobicContact CD2-CD2 3.96Å; Y252-L279 HydrophobicContact CE2-CD2 3.76Å; Y252-L279 VanDerWaalsContact CE2-O 3.28Å; Y252-L279 WeakPolarHBondContact CE2-O 3.21Å; Y252-L279 PolarHBondContact OH-O 3.44Å; Y252-V281 HydrophobicContact CD2-CG1 4.3Å; Y252-V281 HydrophobicContact CD2-CG2 4.35Å; Y252-V281 HydrophobicContact CE2-CB 4.32Å; Y252-V281 HydrophobicContact CE2-CG1 3.68Å; Y252-V281 HydrophobicContact CE2-CG2 3.59Å; Y252-R295 PolarHBondContact OH-O 2.94Å; Y252-F468 AromaticContact CD1-CD1 3.84Å; Y252-F468 HydrophobicContact CD1-CD1 3.84Å; Y252-F468 HydrophobicContact CD1-CE1 4.13Å; Y252-F468 AromaticContact CE1-CD1 3.75Å; Y252-F468 HydrophobicContact CE1-CD1 3.75Å; Y252-F468 AromaticContact CE1-CE1 3.94Å; Y252-F468 HydrophobicContact CE1-CE1 3.94Å; Y252-F468 HydrophobicContact CE2-CE1 4.45Å; Y252-F468 HydrophobicContact CG-CE1 4.46Å
253	P	98.7	Very high	96.8	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.006	20%	0.2	C	C	.	.			trans	-66.7	160.3	174.5	28.5	-34.8	0	0	0	111.7	N243 I255 L256 S467 F468 E537	N243-P253 PolarHBondContact ND2-O 3.17Å; P253-I255 WeakPolarHBondContact CG-O 3.48Å; P253-I255 PolarHBondContact O-N 3.11Å; P253-L256 HydrophobicContact CG-CD2 3.76Å; P253-S467 WeakPolarHBondContact CD-O 3.07Å; P253-F468 HydrophobicContact CG-CE1 4.29Å; P253-F468 HydrophobicContact CG-CE2 4.29Å; P253-F468 HydrophobicContact CG-CZ 4.17Å; P253-E537 VanDerWaalsContact CA-OE2 3.24Å; P253-E537 WeakPolarHBondContact CA-OE2 3.3Å; P253-E537 WeakPolarHBondContact CB-OE2 3.22Å
254	S	98.4	Very high	96.6	Very high	19 Å²	19	45.4 Å²	45.4	13%	0.133	23%	0.231	C	C	.	.	S	Bend	trans	-65	-27.1	177	52	0	0	0	0	113.6	N243 L244 E537	N243-S254 CarbonylContact C-O 3.51Å; N243-S254 WeakPolarHBondContact O-CA 3.31Å; L244-S254 PolarHBondContact N-O 3.03Å; S254-E537 WeakPolarHBondContact CB-OE1 3.46Å; S254-E537 PolarHBondContact N-OE1 2.86Å; S254-E537 VanDerWaalsContact N-OE1 3.1Å; S254-E537 PolarHBondContact OG-OE1 2.88Å
255	I	98.4	Very high	96.6	Very high	17 Å²	17	47.9 Å²	47.9	9%	0.087	24%	0.241	C	C	.	.	S	Bend	trans	-112.2	123.4	178.1	-56.4	-60.4	0	0	0	109.7	P223 Y227 I239 K241 P253	P223-I255 HydrophobicContact CB-CB 4.07Å; P223-I255 HydrophobicContact CB-CG1 4.37Å; P223-I255 HydrophobicContact CB-CG2 4.35Å; Y227-I255 HydrophobicContact CD2-CG2 4.41Å; Y227-I255 HydrophobicContact CE2-CG2 4.2Å; I239-I255 HydrophobicContact CG2-CG2 3.45Å; I239-I255 VanDerWaalsContact CG2-CG2 3.45Å; K241-I255 HydrophobicContact CG-CD1 4.11Å; P253-I255 WeakPolarHBondContact CG-O 3.48Å; P253-I255 PolarHBondContact O-N 3.11Å
256	L	98.5	Very high	96.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	151.4	179.6	-60.5	175	0	0	0	110.5	S240 N243 L248 Y252 P253 L258 L279 V281	S240-L256 PolarHBondContact N-O 3.08Å; S240-L256 PolarHBondContact O-N 3.37Å; N243-L256 HydrophobicContact CB-CD1 3.66Å; N243-L256 HydrophobicContact CB-CG 4.14Å; L248-L256 HydrophobicContact CD2-CD1 4.07Å; Y252-L256 HydrophobicContact CD2-CD1 4.12Å; Y252-L256 HydrophobicContact CD2-CD2 3.64Å; Y252-L256 HydrophobicContact CE2-CD2 4.4Å; Y252-L256 HydrophobicContact CG-CD2 4.16Å; P253-L256 HydrophobicContact CG-CD2 3.76Å; L256-L258 HydrophobicContact CB-CD2 4.3Å; L256-L258 HydrophobicContact CB-CG 4.44Å; L256-L279 HydrophobicContact CD1-CD2 4.48Å; L256-V281 HydrophobicContact CB-CG1 4.43Å; L256-V281 HydrophobicContact CD1-CG1 4.37Å; L256-V281 HydrophobicContact CD2-CG1 4.21Å; L256-V281 HydrophobicContact CD2-CG2 4.41Å
257	V	98.6	Very high	96.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	120.2	167.4	174.4	0	0	0	0	109.1	Y227 L232 W237 C238 I239 L282	Y227-V257 HydrophobicContact CD1-CG2 3.53Å; Y227-V257 HydrophobicContact CD2-CG2 3.64Å; Y227-V257 HydrophobicContact CE1-CB 4.28Å; Y227-V257 HydrophobicContact CE1-CG2 3.6Å; Y227-V257 HydrophobicContact CE2-CG2 3.72Å; Y227-V257 HydrophobicContact CG-CG2 3.56Å; L232-V257 HydrophobicContact CD1-CG1 4.18Å; W237-V257 HydrophobicContact CB-CG1 4Å; W237-V257 HydrophobicContact CE3-CG1 4Å; C238-V257 VanDerWaalsContact O-CA 3.3Å; C238-V257 WeakPolarHBondContact O-CA 3.38Å; I239-V257 HydrophobicContact CG1-CG2 4.09Å; V257-L282 HydrophobicContact CB-CB 3.93Å; V257-L282 HydrophobicContact CB-CD2 4.36Å; V257-L282 HydrophobicContact CG1-CB 3.74Å; V257-L282 HydrophobicContact CG1-CD1 4.04Å; V257-L282 HydrophobicContact CG1-CD2 4.17Å; V257-L282 HydrophobicContact CG1-CG 4.22Å; V257-L282 PolarHBondContact O-N 2.8Å; V257-L282 VanDerWaalsContact O-N 3.09Å
258	L	98.1	Very high	96.5	Very high	6 Å²	6	37.5 Å²	37.5	3%	0.031	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	155.6	-175.5	-55.4	179.8	0	0	0	110	W237 C238 L242 L256 T267 L279 V281 F314	W237-L258 WeakPolarHBondContact CA-O 3.34Å; C238-L258 PolarHBondContact N-O 3.2Å; C238-L258 PolarHBondContact O-N 3.31Å; L242-L258 HydrophobicContact CD1-CD1 4.16Å; L256-L258 HydrophobicContact CB-CD2 4.3Å; L256-L258 HydrophobicContact CB-CG 4.44Å; L258-T267 HydrophobicContact CD1-CG2 4.06Å; L258-L279 HydrophobicContact CD2-CD1 4.32Å; L258-V281 HydrophobicContact CD2-CB 4.43Å; L258-V281 HydrophobicContact CD2-CG1 3.58Å; L258-F314 HydrophobicContact CD2-CZ 4.23Å
259	P	96.4	Very high	96.6	Very high	3 Å²	3	41.3 Å²	41.3	2%	0.019	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	145.4	170.7	-16	29.3	0	0	0	111.2	S236 W237 F314 I317 I318	S236-P259 WeakPolarHBondContact O-CA 3.46Å; W237-P259 HydrophobicContact CE3-CG 4.28Å; W237-P259 HydrophobicContact CH2-CG 4.29Å; W237-P259 HydrophobicContact CZ3-CB 4.46Å; W237-P259 HydrophobicContact CZ3-CG 3.8Å; P259-F314 HydrophobicContact CG-CD1 4.32Å; P259-F314 HydrophobicContact CG-CE1 3.76Å; P259-F314 HydrophobicContact CG-CZ 3.99Å; P259-I317 HydrophobicContact CB-CB 4.41Å; P259-I317 HydrophobicContact CB-CG2 3.53Å; P259-I318 HydrophobicContact CG-CD1 4.3Å; P259-I318 HydrophobicContact CG-CG1 3.53Å
260	N	90.8	Very high	96.6	Very high	37 Å²	37	41.3 Å²	41.3	20%	0.198	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	158.1	169.4	-76.8	-21.6	0	0	0	110.3	N234 E235 S236 W237 C238 I317	N234-N260 PolarHBondContact O-ND2 2.88Å; E235-N260 PolarHBondContact O-ND2 3.36Å; S236-N260 PolarHBondContact O-N 3.1Å; W237-N260 PolarHBondContact N-ND2 3.43Å; C238-N260 WeakPolarHBondContact CB-OD1 3.42Å; C238-N260 PolarHBondContact N-OD1 3.07Å; N260-I317 WeakPolarHBondContact O-CG2 3.28Å
261	N	86.6	Confident	96.6	Very high	135 Å²	135	37.4 Å²	37.4	72%	0.722	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.5	24.5	177.1	-46	-41.4	0	0	0	116.5
262	M	90.3	Very high	96.6	Very high	32 Å²	32	39.6 Å²	39.6	16%	0.158	20%	0.204	C	C	.	.			trans	-107.8	137.1	165.9	-69.8	-57.2	-76.2	0	0	111.3	D266 F314 I317	M262-D266 HydrophobicContact CE-CB 3.45Å; M262-D266 VanDerWaalsContact CE-CB 3.45Å; M262-F314 HydrophobicContact CE-CB 4.27Å; M262-F314 HydrophobicContact CE-CD2 3.7Å; M262-F314 HydrophobicContact CE-CG 4.44Å; M262-F314 HydrophobicContact CG-CD2 3.84Å; M262-F314 HydrophobicContact CG-CE2 4.06Å; M262-F314 HydrophobicContact SD-CD2 4.35Å; M262-I317 HydrophobicContact CG-CD1 3.95Å; M262-I317 HydrophobicContact SD-CD1 3.32Å; M262-I317 WeakPolarHBondContact SD-CD1 3.43Å
263	T	94.6	Very high	96.6	Very high	74 Å²	74	40.6 Å²	40.6	45%	0.454	21%	0.208	S	C	.	.			trans	-78.5	158.5	171.8	68	0	0	0	0	110.3	E265 D266 T267	T263-E265 VanDerWaalsContact C-N 3.27Å; T263-E265 PolarHBondContact O-N 2.7Å; T263-D266 PolarHBondContact O-N 2.84Å; T263-D266 WeakPolarHBondContact OG1-CB 3.28Å; T263-D266 PolarHBondContact OG1-N 3.3Å; T263-D266 VanDerWaalsContact OG1-N 3.09Å; T263-D266 PolarHBondContact OG1-OD2 2.77Å; T263-T267 WeakPolarHBondContact O-CB 3.33Å; T263-T267 PolarHBondContact O-N 3.02Å; T263-T267 PolarHBondContact O-OG1 3.39Å
264	E	95.1	Very high	96.6	Very high	138 Å²	138	40.6 Å²	40.6	65%	0.645	21%	0.208	S	C	*	.	H	α-helix	trans	-59.8	-40.6	175.1	-56.9	-170.6	172.1	0	0	111.2	L242 T267 E268	L242-E264 HydrophobicContact CD1-CG 4.29Å; L242-E264 HydrophobicContact CD2-CB 4.25Å; L242-E264 VanDerWaalsContact CD2-CD 3.4Å; L242-E264 HydrophobicContact CD2-CG 3.6Å; L242-E264 WeakPolarHBondContact CD2-OE1 3.44Å; E264-T267 WeakPolarHBondContact O-CB 3.35Å; E264-T267 PolarHBondContact O-N 3.04Å; E264-E268 WeakPolarHBondContact O-CG 3.34Å; E264-E268 PolarHBondContact O-N 2.67Å
265	E	97	Very high	96.6	Very high	129 Å²	129	40.1 Å²	40.1	60%	0.603	21%	0.205	S	C	*	.	H	α-helix	trans	-63.9	-45	178.4	-164.3	-164.4	148	0	0	112.3	T263 T267 E268 R269	T263-E265 VanDerWaalsContact C-N 3.27Å; T263-E265 PolarHBondContact O-N 2.7Å; E265-T267 VanDerWaalsContact C-N 3.29Å; E265-T267 PolarHBondContact O-N 2.84Å; E265-E268 WeakPolarHBondContact O-CB 3.38Å; E265-E268 PolarHBondContact O-N 2.97Å; E265-R269 WeakPolarHBondContact O-CG 3.47Å; E265-R269 PolarHBondContact O-N 3.29Å; E265-R269 IonicContact OE1-CZ 3.4Å; E265-R269 IonicContact OE1-NE 3.69Å; E265-R269 PolarHBondContact OE1-NE 3.18Å; E265-R269 IonicContact OE1-NH2 3.29Å; E265-R269 PolarHBondContact OE1-NH2 3.44Å; E265-R269 IonicContact OE2-NH2 2.92Å
266	D	97.3	Very high	96.6	Very high	19 Å²	19	45.2 Å²	45.2	10%	0.102	23%	0.226	C	C	.	.	H	α-helix	trans	-63.7	-39.3	175.8	-62.9	-38.6	0	0	0	110.6	M262 T263 E268 R269 V270 E310	M262-D266 HydrophobicContact CE-CB 3.45Å; M262-D266 VanDerWaalsContact CE-CB 3.45Å; T263-D266 PolarHBondContact O-N 2.84Å; T263-D266 WeakPolarHBondContact OG1-CB 3.28Å; T263-D266 PolarHBondContact OG1-N 3.3Å; T263-D266 VanDerWaalsContact OG1-N 3.09Å; T263-D266 PolarHBondContact OG1-OD2 2.77Å; D266-E268 VanDerWaalsContact C-N 3.32Å; D266-E268 PolarHBondContact O-N 2.94Å; D266-R269 PolarHBondContact O-N 3.1Å; D266-R269 IonicContact OD1-CZ 2.76Å; D266-R269 IonicContact OD1-NH1 3.39Å; D266-R269 PolarHBondContact OD1-NH1 2.9Å; D266-R269 IonicContact OD1-NH2 3.41Å; D266-R269 PolarHBondContact OD1-NH2 2.58Å; D266-R269 VanDerWaalsContact OD1-NH2 3.11Å; D266-V270 WeakPolarHBondContact O-CG2 3.47Å; D266-V270 PolarHBondContact O-N 2.98Å; D266-E310 HydrophobicContact CB-CG 4.28Å
267	T	97.9	Very high	96.6	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.006	24%	0.241	C	C	.	.	H	α-helix	trans	-61	-41.4	177.3	-56.2	0	0	0	0	111.6	L242 L248 L258 T263 E264 E265 V270 A271 L279	L242-T267 HydrophobicContact CD1-CG2 4.17Å; L248-T267 HydrophobicContact CD1-CG2 4.4Å; L248-T267 HydrophobicContact CD2-CG2 4.12Å; L258-T267 HydrophobicContact CD1-CG2 4.06Å; T263-T267 WeakPolarHBondContact O-CB 3.33Å; T263-T267 PolarHBondContact O-N 3.02Å; T263-T267 PolarHBondContact O-OG1 3.39Å; E264-T267 WeakPolarHBondContact O-CB 3.35Å; E264-T267 PolarHBondContact O-N 3.04Å; E265-T267 VanDerWaalsContact C-N 3.29Å; E265-T267 PolarHBondContact O-N 2.84Å; T267-V270 PolarHBondContact O-N 3.38Å; T267-A271 WeakPolarHBondContact O-CB 3.37Å; T267-A271 PolarHBondContact O-N 2.64Å; T267-L279 HydrophobicContact CG2-CD1 3.5Å
268	E	98.3	Very high	96.6	Very high	74 Å²	74	49.1 Å²	49.1	35%	0.346	24%	0.241	S	C	.	.	H	α-helix	trans	-64.1	-38.3	174.3	-80.8	-66.6	161.8	0	0	113	L248 E264 E265 D266 A271 S272 R277	L248-E268 VanDerWaalsContact CD1-CD 3.49Å; L248-E268 HydrophobicContact CD1-CG 4.25Å; L248-E268 WeakPolarHBondContact CD1-OE1 3.3Å; E264-E268 WeakPolarHBondContact O-CG 3.34Å; E264-E268 PolarHBondContact O-N 2.67Å; E265-E268 WeakPolarHBondContact O-CB 3.38Å; E265-E268 PolarHBondContact O-N 2.97Å; D266-E268 VanDerWaalsContact C-N 3.32Å; D266-E268 PolarHBondContact O-N 2.94Å; E268-A271 PolarHBondContact O-N 2.84Å; E268-S272 WeakPolarHBondContact O-CB 3.38Å; E268-S272 PolarHBondContact O-N 3.1Å; E268-S272 PolarHBondContact O-OG 2.96Å; E268-R277 IonicContact OE1-NH2 3.2Å; E268-R277 IonicContact OE2-CZ 3.84Å; E268-R277 IonicContact OE2-NH1 3.11Å; E268-R277 IonicContact OE2-NH2 3.21Å; E268-R277 PolarHBondContact OE2-NH2 3.32Å
269	R	98.6	Very high	96.6	Very high	82 Å²	82	48.8 Å²	48.8	31%	0.309	24%	0.239	S	C	.	.	H	α-helix	trans	-65	-42.5	173.6	-67.7	-171.2	-128.9	120.8	13.1	111.4	E265 D266 S272 F273 E310	E265-R269 WeakPolarHBondContact O-CG 3.47Å; E265-R269 PolarHBondContact O-N 3.29Å; E265-R269 IonicContact OE1-CZ 3.4Å; E265-R269 IonicContact OE1-NE 3.69Å; E265-R269 PolarHBondContact OE1-NE 3.18Å; E265-R269 IonicContact OE1-NH2 3.29Å; E265-R269 PolarHBondContact OE1-NH2 3.44Å; E265-R269 IonicContact OE2-NH2 2.92Å; D266-R269 PolarHBondContact O-N 3.1Å; D266-R269 IonicContact OD1-CZ 2.76Å; D266-R269 IonicContact OD1-NH1 3.39Å; D266-R269 PolarHBondContact OD1-NH1 2.9Å; D266-R269 IonicContact OD1-NH2 3.41Å; D266-R269 PolarHBondContact OD1-NH2 2.58Å; D266-R269 VanDerWaalsContact OD1-NH2 3.11Å; R269-S272 PolarHBondContact O-N 3.09Å; R269-F273 PolarHBondContact O-N 2.84Å; R269-F273 VanDerWaalsContact O-N 3.09Å; R269-E310 HydrophobicContact CB-CB 4.18Å; R269-E310 HydrophobicContact CB-CG 3.93Å; R269-E310 IonicContact CZ-OE1 3.63Å; R269-E310 VanDerWaalsContact NH1-CD 3.3Å; R269-E310 IonicContact NH1-OE1 3.72Å; R269-E310 PolarHBondContact NH1-OE1 2.95Å
270	V	98.7	Very high	96.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-61.9	-47.8	175	176.6	0	0	0	0	111.2	D266 T267 S272 F273 R274 L279 E310 D311 F314	D266-V270 WeakPolarHBondContact O-CG2 3.47Å; D266-V270 PolarHBondContact O-N 2.98Å; T267-V270 PolarHBondContact O-N 3.38Å; V270-S272 VanDerWaalsContact C-N 3.28Å; V270-S272 PolarHBondContact O-N 2.77Å; V270-F273 PolarHBondContact O-N 2.79Å; V270-F273 VanDerWaalsContact O-N 3.09Å; V270-R274 WeakPolarHBondContact O-CG 3.11Å; V270-R274 PolarHBondContact O-N 3.2Å; V270-L279 HydrophobicContact CG1-CB 3.97Å; V270-E310 HydrophobicContact CG2-CB 3.8Å; V270-D311 HydrophobicContact CG1-CB 4.48Å; V270-D311 HydrophobicContact CG2-CB 4.45Å; V270-F314 HydrophobicContact CB-CD2 4.39Å; V270-F314 HydrophobicContact CG1-CD2 4.24Å; V270-F314 HydrophobicContact CG1-CG 4.28Å; V270-F314 HydrophobicContact CG2-CB 3.97Å; V270-F314 HydrophobicContact CG2-CD2 3.86Å; V270-F314 HydrophobicContact CG2-CG 4.2Å
271	A	98.7	Very high	97.1	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-56.8	-45.8	175.7	0	0	0	0	0	110.6	L248 T267 E268 F273 R274 R277 L279	L248-A271 HydrophobicContact CD1-CB 3.58Å; L248-A271 HydrophobicContact CG-CB 4.33Å; T267-A271 WeakPolarHBondContact O-CB 3.37Å; T267-A271 PolarHBondContact O-N 2.64Å; E268-A271 PolarHBondContact O-N 2.84Å; A271-F273 PolarHBondContact O-N 3.43Å; A271-R274 PolarHBondContact O-N 2.86Å; A271-R274 VanDerWaalsContact O-O 3.08Å; A271-R277 HydrophobicContact CB-CB 4.2Å; A271-R277 VanDerWaalsContact O-CA 3.24Å; A271-R277 WeakPolarHBondContact O-CA 3.11Å; A271-L279 HydrophobicContact CB-CB 4.4Å; A271-L279 HydrophobicContact CB-CD1 4.49Å
272	S	98.6	Very high	97.7	Very high	65 Å²	65	40.5 Å²	40.5	46%	0.455	20%	0.195	S	C	.	.	H	α-helix	trans	-62.9	-26	178.6	-58.8	0	0	0	0	114	E268 R269 V270 R277	E268-S272 WeakPolarHBondContact O-CB 3.38Å; E268-S272 PolarHBondContact O-N 3.1Å; E268-S272 PolarHBondContact O-OG 2.96Å; R269-S272 PolarHBondContact O-N 3.09Å; V270-S272 VanDerWaalsContact C-N 3.28Å; V270-S272 PolarHBondContact O-N 2.77Å; S272-R277 PolarHBondContact OG-NH1 3.05Å
273	F	98.6	Very high	98.1	Very high	20 Å²	20	39 Å²	39	9%	0.088	19%	0.187	C	C	.	.	H	α-helix	trans	-85.4	-10.7	176.1	-172.1	-114.6	0	0	0	113.9	R269 V270 A271 P299 L300 V301 C308 D311	R269-F273 PolarHBondContact O-N 2.84Å; R269-F273 VanDerWaalsContact O-N 3.09Å; V270-F273 PolarHBondContact O-N 2.79Å; V270-F273 VanDerWaalsContact O-N 3.09Å; A271-F273 PolarHBondContact O-N 3.43Å; F273-P299 HydrophobicContact CD1-CB 4.15Å; F273-P299 HydrophobicContact CE1-CB 3.58Å; F273-P299 HydrophobicContact CZ-CB 4.13Å; F273-L300 HydrophobicContact CD2-CB 4.4Å; F273-L300 WeakPolarHBondContact CE2-O 3.35Å; F273-L300 WeakPolarHBondContact O-CB 3.12Å; F273-L300 WeakPolarHBondContact O-CG 2.9Å; F273-L300 PolarHBondContact O-N 3.29Å; F273-V301 HydrophobicContact CZ-CG1 3.86Å; F273-C308 HydrophobicContact CB-CB 3.81Å; F273-C308 HydrophobicContact CD1-CB 3.47Å; F273-C308 VanDerWaalsContact CD1-CB 3.47Å; F273-C308 HydrophobicContact CD2-CB 3.65Å; F273-C308 HydrophobicContact CE1-CB 3.84Å; F273-C308 HydrophobicContact CE2-CB 4.03Å; F273-C308 HydrophobicContact CG-CB 3.34Å; F273-C308 HydrophobicContact CZ-CB 4.1Å; F273-D311 HydrophobicContact CD1-CB 3.71Å; F273-D311 HydrophobicContact CE1-CB 4.23Å
274	R	98.7	Very high	98.3	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.008	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-103.8	133.7	-178.8	-69.2	-82.2	179.4	-179.5	-8.4	109.8	V270 A271 K276 R277 C296 S297 D311 E350	V270-R274 WeakPolarHBondContact O-CG 3.11Å; V270-R274 PolarHBondContact O-N 3.2Å; A271-R274 PolarHBondContact O-N 2.86Å; A271-R274 VanDerWaalsContact O-O 3.08Å; R274-K276 PolarHBondContact O-N 2.79Å; R274-R277 VanDerWaalsContact O-CA 3.31Å; R274-R277 WeakPolarHBondContact O-CA 3.32Å; R274-R277 PolarHBondContact O-N 2.86Å; R274-C296 PolarHBondContact NH1-SG 3.11Å; R274-C296 VanDerWaalsContact NH1-SG 3.42Å; R274-S297 WeakPolarHBondContact CD-O 3.49Å; R274-S297 PolarHBondContact NH1-O 2.95Å; R274-D311 IonicContact CZ-OD1 4Å; R274-D311 IonicContact CZ-OD2 3.66Å; R274-D311 IonicContact NE-OD1 2.84Å; R274-D311 PolarHBondContact NE-OD1 2.82Å; R274-D311 IonicContact NE-OD2 3.46Å; R274-D311 IonicContact NH2-OD1 3.15Å; R274-D311 PolarHBondContact NH2-OD1 3.21Å; R274-D311 IonicContact NH2-OD2 2.97Å; R274-D311 PolarHBondContact NH2-OD2 2.9Å; R274-E350 IonicContact CZ-OE1 3.63Å; R274-E350 IonicContact NH1-OE1 2.77Å; R274-E350 PolarHBondContact NH1-OE1 2.88Å; R274-E350 IonicContact NH2-OE1 3.71Å; R274-E350 PolarHBondContact NH2-OE1 2.76Å
275	A	98.6	Very high	98.5	Very high	8 Å²	8	29.4 Å²	29.4	7%	0.066	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-54.3	133.4	-177.4	0	0	0	0	0	112.2	R277 R278 S297 Q298 L300	A275-R277 PolarHBondContact O-N 3.39Å; A275-R278 PolarHBondContact O-N 2.83Å; A275-S297 PolarHBondContact N-OG 2.64Å; A275-S297 VanDerWaalsContact N-OG 3.07Å; A275-S297 VanDerWaalsContact O-CB 3.24Å; A275-S297 WeakPolarHBondContact O-CB 3.5Å; A275-S297 PolarHBondContact O-OG 2.69Å; A275-Q298 HydrophobicContact CB-CG 3.79Å; A275-Q298 PolarHBondContact N-O 3.19Å; A275-L300 HydrophobicContact CB-CD2 3.94Å
276	K	98.3	Very high	98.5	Very high	125 Å²	125	23.7 Å²	23.7	54%	0.543	11%	0.111	S	C	.	.	G	3₁₀ helix	trans	57.4	20.3	-174.7	-48.4	-58.5	-180	-172.2	0	114.1	C249 R274 R278 W433	C249-K276 PolarHBondContact SG-O 2.89Å; R274-K276 PolarHBondContact O-N 2.79Å; K276-R278 HydrophobicContact CB-CG 4.21Å; K276-R278 PolarHBondContact O-N 2.92Å; K276-W433 HydrophobicContact CB-CZ3 4.47Å; K276-W433 HydrophobicContact CG-CH2 4.13Å; K276-W433 HydrophobicContact CG-CZ3 4.03Å
277	R	98.6	Very high	98.5	Very high	81 Å²	81	26.6 Å²	26.6	31%	0.306	13%	0.13	S	C	.	.	G	3₁₀ helix	trans	63.5	21.4	-179.6	-59.3	170.1	59.3	98.5	-6.4	115	L248 C249 E268 A271 S272 R274 A275 L279	L248-R277 WeakPolarHBondContact O-CB 3.27Å; L248-R277 PolarHBondContact O-NE 2.82Å; L248-R277 PolarHBondContact O-NH2 3.27Å; C249-R277 HydrophobicContact CB-CB 4.33Å; C249-R277 WeakPolarHBondContact CB-O 3.13Å; E268-R277 IonicContact OE1-NH2 3.2Å; E268-R277 IonicContact OE2-CZ 3.84Å; E268-R277 IonicContact OE2-NH1 3.11Å; E268-R277 IonicContact OE2-NH2 3.21Å; E268-R277 PolarHBondContact OE2-NH2 3.32Å; A271-R277 HydrophobicContact CB-CB 4.2Å; A271-R277 VanDerWaalsContact O-CA 3.24Å; A271-R277 WeakPolarHBondContact O-CA 3.11Å; S272-R277 PolarHBondContact OG-NH1 3.05Å; R274-R277 VanDerWaalsContact O-CA 3.31Å; R274-R277 WeakPolarHBondContact O-CA 3.32Å; R274-R277 PolarHBondContact O-N 2.86Å; A275-R277 PolarHBondContact O-N 3.39Å; R277-L279 VanDerWaalsContact C-N 3.3Å; R277-L279 PolarHBondContact O-N 3.06Å
278	R	98.8	Very high	98.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.164	C	C	.	.			trans	-86.9	72.8	-176.8	-65.4	172.1	69.6	82.8	1.9	110.4	C249 T251 Y252 A275 K276 C296 S297 D431 G432 F468	C249-R278 WeakPolarHBondContact SG-CG 3.4Å; T251-R278 VanDerWaalsContact C-NH1 3.34Å; T251-R278 VanDerWaalsContact CB-NH1 3.29Å; T251-R278 PolarHBondContact O-NH1 3.49Å; T251-R278 PolarHBondContact OG1-NH1 3.45Å; Y252-R278 HydrophobicContact CD1-CB 4.46Å; Y252-R278 HydrophobicContact CD1-CG 4.06Å; Y252-R278 VanDerWaalsContact CD1-NH1 3.33Å; Y252-R278 HydrophobicContact CE1-CB 3.75Å; Y252-R278 HydrophobicContact CE1-CG 3.79Å; Y252-R278 HydrophobicContact CE2-CB 4.49Å; A275-R278 PolarHBondContact O-N 2.83Å; K276-R278 HydrophobicContact CB-CG 4.21Å; K276-R278 PolarHBondContact O-N 2.92Å; R278-C296 WeakPolarHBondContact O-CA 3.45Å; R278-C296 VanDerWaalsContact O-CB 3.25Å; R278-C296 WeakPolarHBondContact O-CB 3.24Å; R278-S297 PolarHBondContact O-N 3.24Å; R278-S297 PolarHBondContact O-OG 2.95Å; R278-D431 WeakPolarHBondContact CD-O 3.37Å; R278-D431 PolarHBondContact NE-O 3.35Å; R278-G432 PolarHBondContact NH2-O 3.02Å; R278-F468 PolarHBondContact NH1-O 3.24Å; R278-F468 PolarHBondContact NH2-O 3.35Å
279	L	98.7	Very high	98.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.151	C	C	.	.			trans	-58.2	159.3	177.5	72.2	171.5	0	0	0	113.6	L248 Y252 L256 L258 T267 V270 A271 R277 V281	L248-L279 HydrophobicContact CD2-CD1 4.12Å; L248-L279 HydrophobicContact CD2-CD2 4.1Å; L248-L279 HydrophobicContact CG-CD2 4.33Å; Y252-L279 HydrophobicContact CD2-CD2 3.96Å; Y252-L279 HydrophobicContact CE2-CD2 3.76Å; Y252-L279 VanDerWaalsContact CE2-O 3.28Å; Y252-L279 WeakPolarHBondContact CE2-O 3.21Å; Y252-L279 PolarHBondContact OH-O 3.44Å; L256-L279 HydrophobicContact CD1-CD2 4.48Å; L258-L279 HydrophobicContact CD2-CD1 4.32Å; T267-L279 HydrophobicContact CG2-CD1 3.5Å; V270-L279 HydrophobicContact CG1-CB 3.97Å; A271-L279 HydrophobicContact CB-CB 4.4Å; A271-L279 HydrophobicContact CB-CD1 4.49Å; R277-L279 VanDerWaalsContact C-N 3.3Å; R277-L279 PolarHBondContact O-N 3.06Å; L279-V281 HydrophobicContact CD2-CG1 4.22Å; L279-V281 HydrophobicContact CG-CG1 4.01Å; L279-V281 PolarHBondContact O-N 3.15Å
280	P	98.8	Very high	98.2	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.151	C	C	.	.			trans	-59.7	121	173.4	-21.3	33.5	0	0	0	112.1	V294 R295 C296 F314 L315 I318	P280-V294 HydrophobicContact CB-CG1 3.67Å; P280-R295 WeakPolarHBondContact CA-O 3.31Å; P280-C296 HydrophobicContact CB-CB 4.28Å; P280-C296 HydrophobicContact CG-CB 4.01Å; P280-F314 HydrophobicContact CB-CD1 4.19Å; P280-F314 HydrophobicContact CB-CE1 3.92Å; P280-F314 HydrophobicContact CG-CD1 4.34Å; P280-F314 HydrophobicContact CG-CE1 4.45Å; P280-F314 VanDerWaalsContact O-CE1 3.24Å; P280-F314 WeakPolarHBondContact O-CE1 3.5Å; P280-F314 WeakPolarHBondContact O-CZ 3.49Å; P280-L315 HydrophobicContact CB-CD2 4.26Å; P280-L315 HydrophobicContact CG-CD2 3.88Å; P280-I318 HydrophobicContact CB-CD1 3.94Å
281	V	98.9	Very high	98.2	Very high	1 Å²	1	30 Å²	30	1%	0.006	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	151.4	177.1	-56.5	0	0	0	0	110.9	Y252 L256 L258 L279 V294 R295 F468	Y252-V281 HydrophobicContact CD2-CG1 4.3Å; Y252-V281 HydrophobicContact CD2-CG2 4.35Å; Y252-V281 HydrophobicContact CE2-CB 4.32Å; Y252-V281 HydrophobicContact CE2-CG1 3.68Å; Y252-V281 HydrophobicContact CE2-CG2 3.59Å; L256-V281 HydrophobicContact CB-CG1 4.43Å; L256-V281 HydrophobicContact CD1-CG1 4.37Å; L256-V281 HydrophobicContact CD2-CG1 4.21Å; L256-V281 HydrophobicContact CD2-CG2 4.41Å; L258-V281 HydrophobicContact CD2-CB 4.43Å; L258-V281 HydrophobicContact CD2-CG1 3.58Å; L279-V281 HydrophobicContact CD2-CG1 4.22Å; L279-V281 HydrophobicContact CG-CG1 4.01Å; L279-V281 PolarHBondContact O-N 3.15Å; V281-V294 CarbonylContact O-C 3.47Å; V281-V294 WeakPolarHBondContact O-CA 3.24Å; V281-V294 WeakPolarHBondContact O-CG1 3.38Å; V281-R295 HydrophobicContact CG2-CG 4.19Å; V281-R295 PolarHBondContact N-O 3.11Å; V281-R295 PolarHBondContact O-N 3.2Å; V281-F468 HydrophobicContact CG2-CE1 3.43Å; V281-F468 VanDerWaalsContact CG2-CE1 3.43Å; V281-F468 HydrophobicContact CG2-CZ 3.66Å
282	L	98.8	Very high	98.2	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	131	-174.7	-179.5	150.3	0	0	0	111.8	Y227 L232 W237 V257 I285 A292	Y227-L282 HydrophobicContact CD1-CD2 4.41Å; Y227-L282 HydrophobicContact CE1-CD2 4.24Å; L232-L282 HydrophobicContact CD1-CD1 4.13Å; L232-L282 HydrophobicContact CD1-CD2 3.56Å; W237-L282 HydrophobicContact CD2-CD1 3.5Å; W237-L282 VanDerWaalsContact CD2-CD1 3.5Å; W237-L282 HydrophobicContact CE3-CB 4Å; W237-L282 HydrophobicContact CE3-CD1 3.64Å; W237-L282 HydrophobicContact CG-CD1 3.99Å; W237-L282 HydrophobicContact CH2-CB 4.37Å; W237-L282 HydrophobicContact CH2-CD1 4.11Å; W237-L282 HydrophobicContact CZ2-CD1 4Å; W237-L282 HydrophobicContact CZ3-CB 3.82Å; W237-L282 HydrophobicContact CZ3-CD1 3.94Å; V257-L282 HydrophobicContact CB-CB 3.93Å; V257-L282 HydrophobicContact CB-CD2 4.36Å; V257-L282 HydrophobicContact CG1-CB 3.74Å; V257-L282 HydrophobicContact CG1-CD1 4.04Å; V257-L282 HydrophobicContact CG1-CD2 4.17Å; V257-L282 HydrophobicContact CG1-CG 4.22Å; V257-L282 PolarHBondContact O-N 2.8Å; V257-L282 VanDerWaalsContact O-N 3.09Å; L282-I285 HydrophobicContact CD1-CB 4.2Å; L282-A292 HydrophobicContact CD1-CB 4.39Å
283	S	98.9	Very high	98.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	-44.2	168.3	-83.9	0	0	0	0	111.5	V293 R295 K463 E464	S283-V293 WeakPolarHBondContact CA-O 3.37Å; S283-V293 WeakPolarHBondContact CB-O 3.23Å; S283-V293 PolarHBondContact N-O 2.73Å; S283-R295 WeakPolarHBondContact OG-CD 3.32Å; S283-R295 WeakPolarHBondContact OG-CG 3.49Å; S283-K463 PolarHBondContact O-NZ 2.99Å; S283-E464 WeakPolarHBondContact CB-OE1 3.24Å; S283-E464 PolarHBondContact OG-OE1 3.08Å; S283-E464 PolarHBondContact OG-OE2 3.12Å
284	W	98.9	Very high	98.2	Very high	8 Å²	8	25.9 Å²	25.9	3%	0.03	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	151.7	-177.4	-173.8	83.4	0	0	0	111.3	Q230 H286 A292 V293 V418 M444 L447 D448 Y451	Q230-W284 VanDerWaalsContact OE1-CA 3.29Å; W284-H286 HydrophobicContact CH2-CB 3.75Å; W284-H286 HydrophobicContact CZ3-CB 3.6Å; W284-A292 CarbonylContact O-C 3.58Å; W284-A292 WeakPolarHBondContact O-CA 3.35Å; W284-V293 HydrophobicContact CB-CB 4.23Å; W284-V293 HydrophobicContact CE3-CG2 4.21Å; W284-V293 PolarHBondContact N-O 3.36Å; W284-V293 VanDerWaalsContact N-O 3.15Å; W284-V293 PolarHBondContact O-N 3.44Å; W284-V418 HydrophobicContact CE3-CG1 4.36Å; W284-V418 HydrophobicContact CZ3-CG1 3.67Å; W284-M444 HydrophobicContact CB-CE 4.47Å; W284-M444 HydrophobicContact CB-CG 3.8Å; W284-M444 HydrophobicContact CB-SD 4.22Å; W284-M444 HydrophobicContact CG-CG 4.13Å; W284-L447 HydrophobicContact CE3-CD1 3.97Å; W284-L447 HydrophobicContact CH2-CB 3.84Å; W284-L447 HydrophobicContact CH2-CD1 4.22Å; W284-L447 HydrophobicContact CH2-CG 4.42Å; W284-L447 HydrophobicContact CZ2-CB 3.98Å; W284-L447 HydrophobicContact CZ3-CB 4.25Å; W284-L447 HydrophobicContact CZ3-CD1 3.77Å; W284-L447 HydrophobicContact CZ3-CG 4.44Å; W284-D448 HydrophobicContact CZ2-CB 4.22Å; W284-D448 PolarHBondContact NE1-OD2 3.1Å; W284-Y451 AromaticContact CD1-CE2 3.88Å
285	I	98.6	Very high	98.2	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.015	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	136	174	-171.4	164.6	0	0	0	110.9	Q230 L232 L282 Q290	Q230-I285 HydrophobicContact CB-CG2 3.95Å; Q230-I285 WeakPolarHBondContact O-CG2 3.43Å; L232-I285 HydrophobicContact CD1-CG2 3.98Å; L232-I285 HydrophobicContact CD2-CD1 4.43Å; L232-I285 HydrophobicContact CD2-CG2 4.39Å; L232-I285 HydrophobicContact CG-CG2 4.14Å; L282-I285 HydrophobicContact CD1-CB 4.2Å; I285-Q290 HydrophobicContact CD1-CB 4.39Å
286	H	98.2	Very high	98.3	Very high	9 Å²	9	25.4 Å²	25.4	4%	0.042	12%	0.121	C	C	.	.			trans	-69.7	128.2	178.5	-172	-62.1	0	0	0	110.3	W284 E288 S289 Q290 A291 V418 E419 K422	W284-H286 HydrophobicContact CH2-CB 3.75Å; W284-H286 HydrophobicContact CZ3-CB 3.6Å; H286-E288 VanDerWaalsContact C-N 3.3Å; H286-E288 PolarHBondContact ND1-N 3.3Å; H286-E288 PolarHBondContact O-N 3.13Å; H286-S289 WeakPolarHBondContact CB-OG 3.48Å; H286-S289 PolarHBondContact ND1-N 2.62Å; H286-S289 VanDerWaalsContact ND1-N 3.16Å; H286-S289 PolarHBondContact ND1-OG 3.49Å; H286-Q290 WeakPolarHBondContact O-CA 3.46Å; H286-Q290 PolarHBondContact O-N 3.26Å; H286-Q290 VanDerWaalsContact O-N 3.14Å; H286-Q290 PolarHBondContact O-NE2 3.45Å; H286-A291 HydrophobicContact CB-CB 4.31Å; H286-A291 WeakPolarHBondContact CB-O 3.37Å; H286-A291 PolarHBondContact N-O 2.93Å; H286-V418 HydrophobicContact CB-CG1 4.43Å; H286-E419 IonicContact CD2-OE2 3.2Å; H286-E419 IonicContact NE2-OE1 2.81Å; H286-E419 IonicContact NE2-OE2 3.7Å; H286-E419 PolarHBondContact NE2-OE2 3.19Å; H286-E419 VanDerWaalsContact NE2-OE2 3.11Å; H286-K422 PolarHBondContact NE2-NZ 2.99Å
287	P	96.1	Very high	98.3	Very high	79 Å²	79	19.5 Å²	19.5	51%	0.513	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-37.9	-172.6	22	-33.5	0	0	0	113	Q290	P287-Q290 PolarHBondContact O-NE2 3.14Å; P287-Q290 VanDerWaalsContact O-NE2 3.09Å
288	E	94.9	Very high	98.3	Very high	152 Å²	152	16.1 Å²	16.1	71%	0.71	8%	0.083	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-58.3	-179.7	-54.7	179.6	172.9	0	0	113.9	H286 Q290	H286-E288 VanDerWaalsContact C-N 3.3Å; H286-E288 PolarHBondContact ND1-N 3.3Å; H286-E288 PolarHBondContact O-N 3.13Å; E288-Q290 VanDerWaalsContact C-N 3.31Å; E288-Q290 PolarHBondContact O-N 3.13Å
289	S	96.4	Very high	98.3	Very high	12 Å²	12	16.1 Å²	16.1	8%	0.084	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-12.1	-171.6	66.6	0	0	0	0	115.1	H286 A291 N322	H286-S289 WeakPolarHBondContact CB-OG 3.48Å; H286-S289 PolarHBondContact ND1-N 2.62Å; H286-S289 VanDerWaalsContact ND1-N 3.16Å; H286-S289 PolarHBondContact ND1-OG 3.49Å; S289-A291 PolarHBondContact O-N 3.31Å; S289-A291 VanDerWaalsContact O-N 3.13Å; S289-A291 WeakPolarHBondContact OG-CB 3.43Å; S289-A291 PolarHBondContact OG-N 3.42Å; S289-N322 PolarHBondContact O-OD1 2.98Å
290	Q	97.6	Very high	98.3	Very high	64 Å²	64	18.6 Å²	18.6	30%	0.299	10%	0.096	S	C	.	.			trans	60.3	13.3	-171.9	-54.5	-61.7	-65.7	0	0	114.2	N234 I285 H286 P287 E288 A292	N234-Q290 PolarHBondContact ND2-OE1 2.95Å; N234-Q290 VanDerWaalsContact ND2-OE1 3.16Å; I285-Q290 HydrophobicContact CD1-CB 4.39Å; H286-Q290 WeakPolarHBondContact O-CA 3.46Å; H286-Q290 PolarHBondContact O-N 3.26Å; H286-Q290 VanDerWaalsContact O-N 3.14Å; H286-Q290 PolarHBondContact O-NE2 3.45Å; P287-Q290 PolarHBondContact O-NE2 3.14Å; P287-Q290 VanDerWaalsContact O-NE2 3.09Å; E288-Q290 VanDerWaalsContact C-N 3.31Å; E288-Q290 PolarHBondContact O-N 3.13Å; Q290-A292 PolarHBondContact O-N 3.31Å
291	A	98.4	Very high	98.2	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.098	C	C	.	.			trans	-63.6	127.3	170.4	0	0	0	0	0	110.1	H286 S289 V418	H286-A291 HydrophobicContact CB-CB 4.31Å; H286-A291 WeakPolarHBondContact CB-O 3.37Å; H286-A291 PolarHBondContact N-O 2.93Å; S289-A291 PolarHBondContact O-N 3.31Å; S289-A291 VanDerWaalsContact O-N 3.13Å; S289-A291 WeakPolarHBondContact OG-CB 3.43Å; S289-A291 PolarHBondContact OG-N 3.42Å; A291-V418 HydrophobicContact CB-CG1 4.02Å
292	A	98.7	Very high	98.1	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	142.5	-173.3	0	0	0	0	0	112.2	W237 L282 W284 Q290 V294 S424 V425	W237-A292 HydrophobicContact CH2-CB 4.23Å; W237-A292 HydrophobicContact CZ2-CB 3.62Å; L282-A292 HydrophobicContact CD1-CB 4.39Å; W284-A292 CarbonylContact O-C 3.58Å; W284-A292 WeakPolarHBondContact O-CA 3.35Å; Q290-A292 PolarHBondContact O-N 3.31Å; A292-V294 HydrophobicContact CB-CG2 4.15Å; A292-S424 PolarHBondContact N-OG 3.34Å; A292-S424 CarbonylContact O-C 3.41Å; A292-S424 WeakPolarHBondContact O-CA 3.46Å; A292-V425 PolarHBondContact O-N 2.74Å
293	V	98.9	Very high	97.9	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	114.1	162	-179.4	0	0	0	0	107.6	S283 W284 V418 V425 V427 T440 L447	S283-V293 WeakPolarHBondContact CA-O 3.37Å; S283-V293 WeakPolarHBondContact CB-O 3.23Å; S283-V293 PolarHBondContact N-O 2.73Å; W284-V293 HydrophobicContact CB-CB 4.23Å; W284-V293 HydrophobicContact CE3-CG2 4.21Å; W284-V293 PolarHBondContact N-O 3.36Å; W284-V293 VanDerWaalsContact N-O 3.15Å; W284-V293 PolarHBondContact O-N 3.44Å; V293-V418 HydrophobicContact CG2-CG2 3.88Å; V293-V425 HydrophobicContact CB-CG2 4.24Å; V293-V425 HydrophobicContact CG1-CG2 4.25Å; V293-V425 HydrophobicContact CG2-CG2 3.97Å; V293-V427 HydrophobicContact CG1-CG2 4.33Å; V293-T440 HydrophobicContact CG1-CG2 4.13Å; V293-L447 HydrophobicContact CG2-CD1 4.4Å
294	V	98.9	Very high	97.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	145.7	-179.2	-179.5	0	0	0	0	109.2	W237 P280 V281 A292 I318 V425 V426 V427	W237-V294 HydrophobicContact CH2-CG2 3.79Å; P280-V294 HydrophobicContact CB-CG1 3.67Å; V281-V294 CarbonylContact O-C 3.47Å; V281-V294 WeakPolarHBondContact O-CA 3.24Å; V281-V294 WeakPolarHBondContact O-CG1 3.38Å; A292-V294 HydrophobicContact CB-CG2 4.15Å; V294-I318 HydrophobicContact CG1-CD1 4.04Å; V294-I318 HydrophobicContact CG2-CD1 4.44Å; V294-I318 HydrophobicContact CG2-CG2 3.95Å; V294-V425 PolarHBondContact N-O 3.43Å; V294-V426 HydrophobicContact CB-CG2 4.24Å; V294-V426 HydrophobicContact CG1-CG2 4.47Å; V294-V426 CarbonylContact O-C 3.23Å; V294-V426 WeakPolarHBondContact O-CA 3.45Å; V294-V427 PolarHBondContact O-N 3.47Å
295	R	98.9	Very high	97.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	147.4	178.1	64.6	-178.5	-68.3	173.2	-1.7	113.2	Y252 P280 V281 S283 V427 G432 T436 T440 E464 F468	Y252-R295 PolarHBondContact OH-O 2.94Å; P280-R295 WeakPolarHBondContact CA-O 3.31Å; V281-R295 HydrophobicContact CG2-CG 4.19Å; V281-R295 PolarHBondContact N-O 3.11Å; V281-R295 PolarHBondContact O-N 3.2Å; S283-R295 WeakPolarHBondContact OG-CD 3.32Å; S283-R295 WeakPolarHBondContact OG-CG 3.49Å; R295-V427 WeakPolarHBondContact CA-O 3.45Å; R295-G432 PolarHBondContact NH2-O 2.71Å; R295-G432 VanDerWaalsContact NH2-O 3.1Å; R295-T436 HydrophobicContact CB-CG2 3.75Å; R295-T440 HydrophobicContact CB-CG2 4.06Å; R295-E464 IonicContact CZ-OE2 3.21Å; R295-E464 PolarHBondContact NH1-O 2.92Å; R295-E464 IonicContact NH1-OE2 3.76Å; R295-E464 PolarHBondContact NH1-OE2 2.86Å; R295-F468 HydrophobicContact CG-CD1 4.48Å; R295-F468 HydrophobicContact CG-CE1 4.09Å; R295-F468 HydrophobicContact CG-CZ 4.41Å
296	C	98.9	Very high	97.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	-178.1	174	53.4	0	0	0	0	112.5	R274 R278 P280 V426 V427 H428 G432	R274-C296 PolarHBondContact NH1-SG 3.11Å; R274-C296 VanDerWaalsContact NH1-SG 3.42Å; R278-C296 WeakPolarHBondContact O-CA 3.45Å; R278-C296 VanDerWaalsContact O-CB 3.25Å; R278-C296 WeakPolarHBondContact O-CB 3.24Å; P280-C296 HydrophobicContact CB-CB 4.28Å; P280-C296 HydrophobicContact CG-CB 4.01Å; C296-V426 WeakPolarHBondContact SG-CG1 3.46Å; C296-V427 PolarHBondContact N-O 2.72Å; C296-H428 WeakPolarHBondContact O-CA 3.39Å; C296-H428 WeakPolarHBondContact O-CB 3.42Å; C296-G432 VanDerWaalsContact O-CA 3.28Å; C296-G432 WeakPolarHBondContact O-CA 3.5Å
297	S	98.9	Very high	97.4	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	172.5	158.5	62.6	0	0	0	0	112	R274 A275 R278 S430	R274-S297 WeakPolarHBondContact CD-O 3.49Å; R274-S297 PolarHBondContact NH1-O 2.95Å; A275-S297 PolarHBondContact N-OG 2.64Å; A275-S297 VanDerWaalsContact N-OG 3.07Å; A275-S297 VanDerWaalsContact O-CB 3.24Å; A275-S297 WeakPolarHBondContact O-CB 3.5Å; A275-S297 PolarHBondContact O-OG 2.69Å; R278-S297 PolarHBondContact O-N 3.24Å; R278-S297 PolarHBondContact O-OG 2.95Å; S297-S430 WeakPolarHBondContact CB-O 3.33Å
298	Q	98.7	Very high	97.4	Very high	11 Å²	11	37.7 Å²	37.7	5%	0.051	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-57.2	153.2	171.6	70.3	-171.6	-44.9	0	0	113.2	A275 S342 G348 C429 S430	A275-Q298 HydrophobicContact CB-CG 3.79Å; A275-Q298 PolarHBondContact N-O 3.19Å; Q298-S342 VanDerWaalsContact CD-OG 3.27Å; Q298-S342 PolarHBondContact NE2-OG 3.11Å; Q298-S342 VanDerWaalsContact NE2-OG 3.15Å; Q298-S342 PolarHBondContact OE1-OG 3.27Å; Q298-G348 WeakPolarHBondContact CB-O 3.41Å; Q298-C429 WeakPolarHBondContact CB-O 3.29Å; Q298-C429 PolarHBondContact N-O 3.25Å; Q298-C429 VanDerWaalsContact N-O 3.13Å; Q298-S430 VanDerWaalsContact CG-O 3.28Å; Q298-S430 WeakPolarHBondContact CG-O 3.48Å; Q298-S430 PolarHBondContact N-O 2.72Å; Q298-S430 VanDerWaalsContact N-O 3.1Å; Q298-S430 PolarHBondContact NE2-O 3.13Å
299	P	98.5	Very high	97.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-74.4	152	167.5	33.3	-36	0	0	0	111.6	F273 V301 G347 G348 E350	F273-P299 HydrophobicContact CD1-CB 4.15Å; F273-P299 HydrophobicContact CE1-CB 3.58Å; F273-P299 HydrophobicContact CZ-CB 4.13Å; P299-V301 VanDerWaalsContact C-N 3.32Å; P299-V301 HydrophobicContact CB-CG1 4.11Å; P299-V301 HydrophobicContact CG-CG1 4.12Å; P299-V301 PolarHBondContact O-N 2.6Å; P299-G347 CarbonylContact O-C 3.56Å; P299-G347 VanDerWaalsContact O-C 3.23Å; P299-G347 WeakPolarHBondContact O-CA 3.5Å; P299-G348 PolarHBondContact O-N 3.36Å; P299-E350 HydrophobicContact CG-CG 4.27Å
300	L	98.3	Very high	97.6	Very high	52 Å²	52	39.6 Å²	39.6	27%	0.272	20%	0.201	S	C	.	.			trans	-92.2	57.6	179.1	-62.6	176.4	0	0	0	111.5	F273 A275 D346	F273-L300 HydrophobicContact CD2-CB 4.4Å; F273-L300 WeakPolarHBondContact CE2-O 3.35Å; F273-L300 WeakPolarHBondContact O-CB 3.12Å; F273-L300 WeakPolarHBondContact O-CG 2.9Å; F273-L300 PolarHBondContact O-N 3.29Å; A275-L300 HydrophobicContact CB-CD2 3.94Å; L300-D346 CarbonylContact C-O 3.46Å; L300-D346 WeakPolarHBondContact CA-O 3.2Å
301	V	97.4	Very high	97.7	Very high	7 Å²	7	36.5 Å²	36.5	4%	0.042	19%	0.186	C	C	.	.			trans	-72	-37.5	-179	-62.1	0	0	0	0	111.9	F273 P299 S306 K343 G347	F273-V301 HydrophobicContact CZ-CG1 3.86Å; P299-V301 VanDerWaalsContact C-N 3.32Å; P299-V301 HydrophobicContact CB-CG1 4.11Å; P299-V301 HydrophobicContact CG-CG1 4.12Å; P299-V301 PolarHBondContact O-N 2.6Å; V301-S306 VanDerWaalsContact O-CB 3.24Å; V301-S306 WeakPolarHBondContact O-CB 3.45Å; V301-S306 PolarHBondContact O-N 3.04Å; V301-S306 PolarHBondContact O-OG 2.89Å; V301-K343 HydrophobicContact CG2-CG 4.22Å; V301-G347 WeakPolarHBondContact CG2-O 3.16Å
302	G	96.6	Very high	97.6	Very high	6 Å²	6	38 Å²	38	6%	0.062	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	-171	-176.1	0	0	0	0	0	114.4	L304 D305 K343 D346 G347	G302-L304 PolarHBondContact O-N 3.49Å; G302-D305 PolarHBondContact O-N 2.99Å; G302-K343 CarbonylContact C-O 3.56Å; G302-K343 WeakPolarHBondContact CA-O 3.45Å; G302-K343 WeakPolarHBondContact O-CG 3.07Å; G302-D346 PolarHBondContact N-O 2.54Å; G302-G347 WeakPolarHBondContact CA-O 3.43Å; G302-G347 PolarHBondContact N-O 2.99Å
303	P	95.6	Very high	97.5	Very high	81 Å²	81	44.3 Å²	44.3	53%	0.526	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-16.6	-176.7	26.9	-36.1	0	0	0	113.3	K343 K345	P303-K343 WeakPolarHBondContact CD-O 3.31Å; P303-K345 WeakPolarHBondContact CD-O 3.46Å
304	L	95.1	Very high	97.5	Very high	151 Å²	151	44.3 Å²	44.3	79%	0.791	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.5	3.5	-178.9	-60.7	179.3	0	0	0	113.3	G302 S306	G302-L304 PolarHBondContact O-N 3.49Å; L304-S306 VanDerWaalsContact C-N 3.27Å; L304-S306 PolarHBondContact O-N 3.05Å
305	D	94.5	Very high	97.4	Very high	53 Å²	53	44.4 Å²	44.4	28%	0.283	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	46.8	-174.7	-75.5	-62.3	0	0	0	111.7	G302 K343 F354	G302-D305 PolarHBondContact O-N 2.99Å; D305-K343 WeakPolarHBondContact OD1-CE 3.5Å; D305-K343 IonicContact OD1-NZ 3.11Å; D305-K343 PolarHBondContact OD1-NZ 3.31Å; D305-K343 IonicContact OD2-NZ 3.5Å; D305-K343 PolarHBondContact OD2-NZ 2.92Å; D305-F354 HydrophobicContact CB-CE2 4.15Å
306	S	96.5	Very high	97.3	Very high	60 Å²	60	47.1 Å²	47.1	42%	0.42	23%	0.23	S	C	.	.			trans	-55.2	139.9	173.9	-59	0	0	0	0	110.3	V301 L304	V301-S306 VanDerWaalsContact O-CB 3.24Å; V301-S306 WeakPolarHBondContact O-CB 3.45Å; V301-S306 PolarHBondContact O-N 3.04Å; V301-S306 PolarHBondContact O-OG 2.89Å; L304-S306 VanDerWaalsContact C-N 3.27Å; L304-S306 PolarHBondContact O-N 3.05Å
307	R	96.9	Very high	97.2	Very high	133 Å²	133	48.4 Å²	48.4	50%	0.502	24%	0.237	S	C	.	.			trans	-120.2	150.4	-175.8	-66.2	178.2	59.6	-173.3	0.4	111.1	E312 F354	R307-E312 IonicContact CZ-OE1 3.98Å; R307-E312 IonicContact CZ-OE2 3.48Å; R307-E312 IonicContact NE-OE1 2.72Å; R307-E312 PolarHBondContact NE-OE1 3.42Å; R307-E312 IonicContact NE-OE2 3.6Å; R307-E312 VanDerWaalsContact NH2-CD 3.3Å; R307-E312 IonicContact NH2-OE1 2.71Å; R307-E312 PolarHBondContact NH2-OE1 3.37Å; R307-E312 IonicContact NH2-OE2 3.72Å; R307-E312 PolarHBondContact NH2-OE2 2.98Å; R307-F354 HydrophobicContact CG-CD2 4.24Å; R307-F354 HydrophobicContact CG-CG 4.36Å
308	C	97.6	Very high	97.1	Very high	10 Å²	10	48.4 Å²	48.4	7%	0.068	24%	0.237	C	C	.	.			trans	-128.2	111.7	172.4	176	0	0	0	0	108.3	F273 E310 D311 E312	F273-C308 HydrophobicContact CB-CB 3.81Å; F273-C308 HydrophobicContact CD1-CB 3.47Å; F273-C308 VanDerWaalsContact CD1-CB 3.47Å; F273-C308 HydrophobicContact CD2-CB 3.65Å; F273-C308 HydrophobicContact CE1-CB 3.84Å; F273-C308 HydrophobicContact CE2-CB 4.03Å; F273-C308 HydrophobicContact CG-CB 3.34Å; F273-C308 HydrophobicContact CZ-CB 4.1Å; C308-E310 PolarHBondContact O-N 2.88Å; C308-E310 PolarHBondContact SG-OE2 2.65Å; C308-D311 HydrophobicContact CB-CB 3.89Å; C308-D311 PolarHBondContact O-N 3Å; C308-D311 PolarHBondContact SG-N 3.49Å; C308-D311 VanDerWaalsContact SG-N 3.35Å; C308-E312 WeakPolarHBondContact O-CG 3.45Å; C308-E312 PolarHBondContact O-N 3Å
309	K	97.3	Very high	97	Very high	162 Å²	162	48.3 Å²	48.3	70%	0.704	24%	0.236	S	C	*	.	H	α-helix	trans	-63.4	-31.4	-178.4	-67	-179.8	-179.5	176.6	0	111.3	R313	K309-R313 VanDerWaalsContact O-CB 3.27Å; K309-R313 WeakPolarHBondContact O-CB 3.41Å; K309-R313 PolarHBondContact O-N 3.46Å
310	E	98.1	Very high	96.9	Very high	41 Å²	41	53.3 Å²	53.3	19%	0.192	26%	0.263	C	S	.	.	H	α-helix	trans	-70.1	-41.1	178.4	-59	73	-164.6	0	0	110.8	D266 R269 V270 C308 R313 F314	D266-E310 HydrophobicContact CB-CG 4.28Å; R269-E310 HydrophobicContact CB-CB 4.18Å; R269-E310 HydrophobicContact CB-CG 3.93Å; R269-E310 IonicContact CZ-OE1 3.63Å; R269-E310 VanDerWaalsContact NH1-CD 3.3Å; R269-E310 IonicContact NH1-OE1 3.72Å; R269-E310 PolarHBondContact NH1-OE1 2.95Å; V270-E310 HydrophobicContact CG2-CB 3.8Å; C308-E310 PolarHBondContact O-N 2.88Å; C308-E310 PolarHBondContact SG-OE2 2.65Å; E310-R313 PolarHBondContact O-N 2.92Å; E310-F314 WeakPolarHBondContact O-CB 3.45Å; E310-F314 PolarHBondContact O-N 2.99Å
311	D	98.2	Very high	96.8	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-67.9	-44.9	175.8	-170.6	89	0	0	0	111.2	V270 F273 R274 C308 R313 F314 L315 Y355	V270-D311 HydrophobicContact CG1-CB 4.48Å; V270-D311 HydrophobicContact CG2-CB 4.45Å; F273-D311 HydrophobicContact CD1-CB 3.71Å; F273-D311 HydrophobicContact CE1-CB 4.23Å; R274-D311 IonicContact CZ-OD1 4Å; R274-D311 IonicContact CZ-OD2 3.66Å; R274-D311 IonicContact NE-OD1 2.84Å; R274-D311 PolarHBondContact NE-OD1 2.82Å; R274-D311 IonicContact NE-OD2 3.46Å; R274-D311 IonicContact NH2-OD1 3.15Å; R274-D311 PolarHBondContact NH2-OD1 3.21Å; R274-D311 IonicContact NH2-OD2 2.97Å; R274-D311 PolarHBondContact NH2-OD2 2.9Å; C308-D311 HydrophobicContact CB-CB 3.89Å; C308-D311 PolarHBondContact O-N 3Å; C308-D311 PolarHBondContact SG-N 3.49Å; C308-D311 VanDerWaalsContact SG-N 3.35Å; D311-R313 VanDerWaalsContact C-N 3.31Å; D311-R313 PolarHBondContact O-N 3.27Å; D311-F314 WeakPolarHBondContact O-CB 2.97Å; D311-F314 PolarHBondContact O-N 3Å; D311-F314 VanDerWaalsContact O-N 3.12Å; D311-L315 WeakPolarHBondContact O-CG 3.27Å; D311-L315 PolarHBondContact O-N 3.32Å; D311-Y355 PolarHBondContact OD2-OH 3.06Å
312	E	97.6	Very high	96.8	Very high	32 Å²	32	51.2 Å²	51.2	15%	0.15	25%	0.254	C	S	.	.	H	α-helix	trans	-55.2	-47.2	173.2	-70.1	171.7	-156.3	0	0	111.1	R307 C308 Q316 Y355	R307-E312 IonicContact CZ-OE1 3.98Å; R307-E312 IonicContact CZ-OE2 3.48Å; R307-E312 IonicContact NE-OE1 2.72Å; R307-E312 PolarHBondContact NE-OE1 3.42Å; R307-E312 IonicContact NE-OE2 3.6Å; R307-E312 VanDerWaalsContact NH2-CD 3.3Å; R307-E312 IonicContact NH2-OE1 2.71Å; R307-E312 PolarHBondContact NH2-OE1 3.37Å; R307-E312 IonicContact NH2-OE2 3.72Å; R307-E312 PolarHBondContact NH2-OE2 2.98Å; C308-E312 WeakPolarHBondContact O-CG 3.45Å; C308-E312 PolarHBondContact O-N 3Å; E312-Q316 WeakPolarHBondContact O-CB 3.16Å; E312-Q316 PolarHBondContact O-N 3.34Å; E312-Y355 HydrophobicContact CB-CE1 4.38Å; E312-Y355 HydrophobicContact CG-CD1 4.06Å; E312-Y355 HydrophobicContact CG-CE1 3.72Å
313	R	96.6	Very high	96.6	Very high	132 Å²	132	55.2 Å²	55.2	50%	0.498	29%	0.286	S	S	.	.	H	α-helix	trans	-66.6	-38.4	175.9	-178	178.8	174.6	-168.2	-4.6	112.4	K309 E310 D311 Q316 I317	K309-R313 VanDerWaalsContact O-CB 3.27Å; K309-R313 WeakPolarHBondContact O-CB 3.41Å; K309-R313 PolarHBondContact O-N 3.46Å; E310-R313 PolarHBondContact O-N 2.92Å; D311-R313 VanDerWaalsContact C-N 3.31Å; D311-R313 PolarHBondContact O-N 3.27Å; R313-Q316 WeakPolarHBondContact O-CB 3.25Å; R313-Q316 PolarHBondContact O-N 2.92Å; R313-I317 HydrophobicContact CG-CD1 4.02Å; R313-I317 HydrophobicContact CG-CG1 4.47Å; R313-I317 VanDerWaalsContact O-CG1 3.32Å; R313-I317 WeakPolarHBondContact O-CG1 3.26Å; R313-I317 PolarHBondContact O-N 3.1Å
314	F	97.6	Very high	96.5	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-62.1	-45.8	179.7	-163.5	-74.7	0	0	0	110.6	L258 P259 M262 V270 P280 E310 D311 I317 I318	L258-F314 HydrophobicContact CD2-CZ 4.23Å; P259-F314 HydrophobicContact CG-CD1 4.32Å; P259-F314 HydrophobicContact CG-CE1 3.76Å; P259-F314 HydrophobicContact CG-CZ 3.99Å; M262-F314 HydrophobicContact CE-CB 4.27Å; M262-F314 HydrophobicContact CE-CD2 3.7Å; M262-F314 HydrophobicContact CE-CG 4.44Å; M262-F314 HydrophobicContact CG-CD2 3.84Å; M262-F314 HydrophobicContact CG-CE2 4.06Å; M262-F314 HydrophobicContact SD-CD2 4.35Å; V270-F314 HydrophobicContact CB-CD2 4.39Å; V270-F314 HydrophobicContact CG1-CD2 4.24Å; V270-F314 HydrophobicContact CG1-CG 4.28Å; V270-F314 HydrophobicContact CG2-CB 3.97Å; V270-F314 HydrophobicContact CG2-CD2 3.86Å; V270-F314 HydrophobicContact CG2-CG 4.2Å; P280-F314 HydrophobicContact CB-CD1 4.19Å; P280-F314 HydrophobicContact CB-CE1 3.92Å; P280-F314 HydrophobicContact CG-CD1 4.34Å; P280-F314 HydrophobicContact CG-CE1 4.45Å; P280-F314 VanDerWaalsContact O-CE1 3.24Å; P280-F314 WeakPolarHBondContact O-CE1 3.5Å; P280-F314 WeakPolarHBondContact O-CZ 3.49Å; E310-F314 WeakPolarHBondContact O-CB 3.45Å; E310-F314 PolarHBondContact O-N 2.99Å; D311-F314 WeakPolarHBondContact O-CB 2.97Å; D311-F314 PolarHBondContact O-N 3Å; D311-F314 VanDerWaalsContact O-N 3.12Å; F314-I317 PolarHBondContact O-N 2.96Å; F314-I318 HydrophobicContact CD1-CD1 3.7Å; F314-I318 HydrophobicContact CD1-CG1 4.32Å; F314-I318 HydrophobicContact CE1-CD1 3.76Å; F314-I318 HydrophobicContact CE1-CG1 4.37Å; F314-I318 WeakPolarHBondContact O-CG1 3.38Å; F314-I318 PolarHBondContact O-N 2.96Å; F314-I318 VanDerWaalsContact O-N 3.1Å
315	L	97.6	Very high	96.4	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-66.8	-36.4	175.3	-63.9	-171.6	0	0	0	112.4	P280 D311 I317 I318 M319 L328 I330 E350 Y355 I358 V426	P280-L315 HydrophobicContact CB-CD2 4.26Å; P280-L315 HydrophobicContact CG-CD2 3.88Å; D311-L315 WeakPolarHBondContact O-CG 3.27Å; D311-L315 PolarHBondContact O-N 3.32Å; L315-I317 PolarHBondContact O-N 2.86Å; L315-I318 HydrophobicContact CD2-CD1 4Å; L315-I318 WeakPolarHBondContact O-CB 3.47Å; L315-I318 PolarHBondContact O-N 3.21Å; L315-M319 PolarHBondContact O-N 3.18Å; L315-L328 HydrophobicContact CB-CD2 4.02Å; L315-L328 HydrophobicContact CD2-CD2 4.49Å; L315-L328 WeakPolarHBondContact O-CD2 3.33Å; L315-I330 HydrophobicContact CD1-CD1 4.02Å; L315-E350 HydrophobicContact CD1-CG 4.23Å; L315-Y355 HydrophobicContact CD1-CD1 3.82Å; L315-Y355 HydrophobicContact CD1-CE1 3.77Å; L315-I358 HydrophobicContact CB-CD1 3.96Å; L315-I358 HydrophobicContact CD1-CD1 3.72Å; L315-V426 HydrophobicContact CD2-CG2 4.14Å
316	Q	96.4	Very high	96.3	Very high	57 Å²	57	56.3 Å²	56.3	27%	0.266	28%	0.28	S	S	.	.	H	α-helix	trans	-60.3	-43.7	172.9	179.3	61.5	51.6	0	0	111.5	E312 R313 I318 M319 D320	E312-Q316 WeakPolarHBondContact O-CB 3.16Å; E312-Q316 PolarHBondContact O-N 3.34Å; R313-Q316 WeakPolarHBondContact O-CB 3.25Å; R313-Q316 PolarHBondContact O-N 2.92Å; Q316-I318 VanDerWaalsContact C-N 3.34Å; Q316-I318 PolarHBondContact O-N 3.27Å; Q316-M319 VanDerWaalsContact CD-CE 3.46Å; Q316-M319 WeakPolarHBondContact O-CB 3.34Å; Q316-M319 PolarHBondContact O-N 2.8Å; Q316-M319 VanDerWaalsContact O-N 3.14Å; Q316-M319 VanDerWaalsContact OE1-CE 3.28Å; Q316-D320 PolarHBondContact NE2-OD1 3.08Å; Q316-D320 PolarHBondContact NE2-OD2 3.4Å; Q316-D320 VanDerWaalsContact O-CG 3.25Å; Q316-D320 PolarHBondContact O-N 3.36Å
317	I	96.9	Very high	96.3	Very high	27 Å²	27	59.4 Å²	59.4	14%	0.138	29%	0.286	C	S	.	.	H	α-helix	trans	-65.1	-37.6	177	-65.4	163.5	0	0	0	111.4	P259 N260 M262 R313 F314 L315 M319 D320 A321	P259-I317 HydrophobicContact CB-CB 4.41Å; P259-I317 HydrophobicContact CB-CG2 3.53Å; N260-I317 WeakPolarHBondContact O-CG2 3.28Å; M262-I317 HydrophobicContact CG-CD1 3.95Å; M262-I317 HydrophobicContact SD-CD1 3.32Å; M262-I317 WeakPolarHBondContact SD-CD1 3.43Å; R313-I317 HydrophobicContact CG-CD1 4.02Å; R313-I317 HydrophobicContact CG-CG1 4.47Å; R313-I317 VanDerWaalsContact O-CG1 3.32Å; R313-I317 WeakPolarHBondContact O-CG1 3.26Å; R313-I317 PolarHBondContact O-N 3.1Å; F314-I317 PolarHBondContact O-N 2.96Å; L315-I317 PolarHBondContact O-N 2.86Å; I317-M319 VanDerWaalsContact C-N 3.28Å; I317-M319 PolarHBondContact O-N 3.48Å; I317-D320 PolarHBondContact O-N 3.2Å; I317-A321 WeakPolarHBondContact O-CB 3.31Å; I317-A321 PolarHBondContact O-N 3.28Å
318	I	97.6	Very high	96.3	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-60.2	-40.5	173.2	-70.6	166.5	0	0	0	111.2	W237 P259 P280 V294 F314 L315 Q316 L328	W237-I318 HydrophobicContact CH2-CB 4.47Å; W237-I318 HydrophobicContact CH2-CG1 3.93Å; W237-I318 HydrophobicContact CH2-CG2 4.16Å; W237-I318 HydrophobicContact CZ2-CG2 4.47Å; W237-I318 HydrophobicContact CZ3-CG1 4.5Å; P259-I318 HydrophobicContact CG-CD1 4.3Å; P259-I318 HydrophobicContact CG-CG1 3.53Å; P280-I318 HydrophobicContact CB-CD1 3.94Å; V294-I318 HydrophobicContact CG1-CD1 4.04Å; V294-I318 HydrophobicContact CG2-CD1 4.44Å; V294-I318 HydrophobicContact CG2-CG2 3.95Å; F314-I318 HydrophobicContact CD1-CD1 3.7Å; F314-I318 HydrophobicContact CD1-CG1 4.32Å; F314-I318 HydrophobicContact CE1-CD1 3.76Å; F314-I318 HydrophobicContact CE1-CG1 4.37Å; F314-I318 WeakPolarHBondContact O-CG1 3.38Å; F314-I318 PolarHBondContact O-N 2.96Å; F314-I318 VanDerWaalsContact O-N 3.1Å; L315-I318 HydrophobicContact CD2-CD1 4Å; L315-I318 WeakPolarHBondContact O-CB 3.47Å; L315-I318 PolarHBondContact O-N 3.21Å; Q316-I318 VanDerWaalsContact C-N 3.34Å; Q316-I318 PolarHBondContact O-N 3.27Å; I318-L328 HydrophobicContact CG2-CD1 4Å; I318-L328 HydrophobicContact CG2-CD2 4.3Å
319	M	96.9	Very high	96.4	Very high	9 Å²	9	52.7 Å²	52.7	4%	0.044	26%	0.259	C	S	.	.	H	α-helix	trans	-65.2	-48.1	175.8	-171.5	178	62	0	0	110.7	L315 Q316 I317 A321 N322 H326 K327 L328 N357	L315-M319 PolarHBondContact O-N 3.18Å; Q316-M319 VanDerWaalsContact CD-CE 3.46Å; Q316-M319 WeakPolarHBondContact O-CB 3.34Å; Q316-M319 PolarHBondContact O-N 2.8Å; Q316-M319 VanDerWaalsContact O-N 3.14Å; Q316-M319 VanDerWaalsContact OE1-CE 3.28Å; I317-M319 VanDerWaalsContact C-N 3.28Å; I317-M319 PolarHBondContact O-N 3.48Å; M319-A321 PolarHBondContact O-N 3.45Å; M319-N322 PolarHBondContact O-N 3.28Å; M319-H326 VanDerWaalsContact SD-C 3.55Å; M319-K327 VanDerWaalsContact SD-CA 3.6Å; M319-L328 HydrophobicContact CB-CB 4.06Å; M319-L328 HydrophobicContact CG-CB 4.1Å; M319-L328 HydrophobicContact SD-CB 4.25Å; M319-N357 HydrophobicContact CE-CB 3.91Å; M319-N357 HydrophobicContact SD-CB 3.65Å
320	D	95.9	Very high	96.5	Very high	105 Å²	105	45 Å²	45	56%	0.561	23%	0.226	S	C	*	.	H	α-helix	trans	-66.6	-22	-178.2	-64.5	-27.3	0	0	0	113.1	Q316 I317 N322	Q316-D320 PolarHBondContact NE2-OD1 3.08Å; Q316-D320 PolarHBondContact NE2-OD2 3.4Å; Q316-D320 VanDerWaalsContact O-CG 3.25Å; Q316-D320 PolarHBondContact O-N 3.36Å; I317-D320 PolarHBondContact O-N 3.2Å; D320-N322 PolarHBondContact O-N 3.06Å
321	A	96.3	Very high	96.5	Very high	12 Å²	12	43.1 Å²	43.1	10%	0.099	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-15.7	171.7	0	0	0	0	0	113.4	W237 I317 M319	W237-A321 HydrophobicContact CZ2-CB 4.22Å; I317-A321 WeakPolarHBondContact O-CB 3.31Å; I317-A321 PolarHBondContact O-N 3.28Å; M319-A321 PolarHBondContact O-N 3.45Å
322	N	96.2	Very high	96.5	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.016	22%	0.217	C	C	.	.			trans	-112.3	102.3	176.3	176.7	-0.1	0	0	0	110.5	S289 M319 D320 Q324 S325 K422 S424	S289-N322 PolarHBondContact O-OD1 2.98Å; M319-N322 PolarHBondContact O-N 3.28Å; D320-N322 PolarHBondContact O-N 3.06Å; N322-Q324 PolarHBondContact O-N 2.92Å; N322-Q324 VanDerWaalsContact O-N 3.1Å; N322-Q324 WeakPolarHBondContact OD1-CB 3.42Å; N322-Q324 PolarHBondContact OD1-N 3.28Å; N322-S325 PolarHBondContact O-N 2.74Å; N322-K422 PolarHBondContact ND2-O 3.28Å; N322-S424 WeakPolarHBondContact CB-OG 3.33Å; N322-S424 PolarHBondContact ND2-N 3.45Å; N322-S424 PolarHBondContact ND2-OG 3.15Å
323	A	93.8	Very high	96.6	Very high	90 Å²	90	41.6 Å²	41.6	74%	0.744	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-12.1	-179.5	0	0	0	0	0	114.6
324	Q	93.7	Very high	96.7	Very high	132 Å²	132	35.3 Å²	35.3	62%	0.617	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-13.1	-176.1	-57.4	-61.7	-52.9	0	0	113.6	N322 K422	N322-Q324 PolarHBondContact O-N 2.92Å; N322-Q324 VanDerWaalsContact O-N 3.1Å; N322-Q324 WeakPolarHBondContact OD1-CB 3.42Å; N322-Q324 PolarHBondContact OD1-N 3.28Å; Q324-K422 HydrophobicContact CB-CB 4.14Å
325	S	93.2	Very high	96.7	Very high	16 Å²	16	38.1 Å²	38.1	11%	0.112	20%	0.199	C	C	.	.			trans	-138.9	133.2	-174.5	-179.1	0	0	0	0	111.9	N322 K327 T423	N322-S325 PolarHBondContact O-N 2.74Å; S325-K327 VanDerWaalsContact C-N 3.29Å; S325-K327 PolarHBondContact OG-N 3.06Å; S325-K327 VanDerWaalsContact OG-N 3.14Å; S325-K327 PolarHBondContact OG-O 2.89Å; S325-T423 PolarHBondContact OG-OG1 3.01Å
326	H	92.4	Very high	96.7	Very high	161 Å²	161	40.7 Å²	40.7	75%	0.745	22%	0.215	S	C	*	.	S	Bend	trans	-93.7	18.3	170	-58.2	-58.2	0	0	0	112.8	M319 N357	M319-H326 VanDerWaalsContact SD-C 3.55Å; H326-N357 WeakPolarHBondContact O-CB 3.33Å
327	K	95.4	Very high	96.7	Very high	125 Å²	125	41.6 Å²	41.6	54%	0.543	23%	0.228	S	C	.	.			trans	-134.2	150.8	177.4	-69.9	-170.8	177.1	-172.1	0	110.9	M319 S325 N357 T423	M319-K327 VanDerWaalsContact SD-CA 3.6Å; S325-K327 VanDerWaalsContact C-N 3.29Å; S325-K327 PolarHBondContact OG-N 3.06Å; S325-K327 VanDerWaalsContact OG-N 3.14Å; S325-K327 PolarHBondContact OG-O 2.89Å; K327-N357 VanDerWaalsContact CA-O 3.3Å; K327-N357 WeakPolarHBondContact CA-O 3.44Å; K327-T423 VanDerWaalsContact O-CG2 3.31Å; K327-T423 WeakPolarHBondContact O-CG2 3.43Å
328	L	97.9	Very high	96.7	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	121.7	171.3	179.2	63	0	0	0	108.9	L315 I318 M319 N357 I358 E359 S424 V426	L315-L328 HydrophobicContact CB-CD2 4.02Å; L315-L328 HydrophobicContact CD2-CD2 4.49Å; L315-L328 WeakPolarHBondContact O-CD2 3.33Å; I318-L328 HydrophobicContact CG2-CD1 4Å; I318-L328 HydrophobicContact CG2-CD2 4.3Å; M319-L328 HydrophobicContact CB-CB 4.06Å; M319-L328 HydrophobicContact CG-CB 4.1Å; M319-L328 HydrophobicContact SD-CB 4.25Å; L328-N357 PolarHBondContact N-O 3.35Å; L328-N357 VanDerWaalsContact N-O 3.08Å; L328-I358 HydrophobicContact CB-CG1 3.96Å; L328-I358 HydrophobicContact CD2-CD1 4.18Å; L328-I358 HydrophobicContact CD2-CG1 4.17Å; L328-I358 HydrophobicContact CG-CG1 4.29Å; L328-I358 VanDerWaalsContact O-CA 3.25Å; L328-I358 WeakPolarHBondContact O-CA 3.4Å; L328-E359 PolarHBondContact O-N 2.95Å; L328-S424 WeakPolarHBondContact CD1-O 3.24Å; L328-V426 HydrophobicContact CD1-CG2 4.02Å; L328-V426 HydrophobicContact CD2-CG2 3.97Å; L328-V426 HydrophobicContact CG-CG2 4.17Å
329	T	98.6	Very high	96.7	Very high	1 Å²	1	42 Å²	42	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	126.5	178.1	-58.5	0	0	0	0	110.1	F331 E359 I361 S424 V425 V426	T329-F331 HydrophobicContact CG2-CD2 4.06Å; T329-F331 HydrophobicContact CG2-CE1 4.24Å; T329-F331 HydrophobicContact CG2-CE2 3.59Å; T329-F331 HydrophobicContact CG2-CZ 3.71Å; T329-E359 CarbonylContact C-O 3.46Å; T329-E359 WeakPolarHBondContact CA-O 3.45Å; T329-E359 HydrophobicContact CG2-CG 4.41Å; T329-E359 PolarHBondContact OG1-OE2 3.14Å; T329-I361 HydrophobicContact CG2-CD1 3.71Å; T329-I361 HydrophobicContact CG2-CG1 4.19Å; T329-S424 PolarHBondContact N-O 2.97Å; T329-V425 CarbonylContact O-C 3.51Å; T329-V425 WeakPolarHBondContact O-CA 3.33Å; T329-V426 PolarHBondContact O-N 3.46Å
330	I	98.8	Very high	96.7	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	122.9	172.9	-56.4	-173.1	0	0	0	108.9	L315 E350 I358 E359 L360 I361 V426 H428	L315-I330 HydrophobicContact CD1-CD1 4.02Å; I330-E350 HydrophobicContact CD1-CB 3.83Å; I330-E350 HydrophobicContact CD1-CG 3.59Å; I330-I358 HydrophobicContact CD1-CD1 4.08Å; I330-I358 HydrophobicContact CD1-CG1 4.4Å; I330-I358 HydrophobicContact CD1-CG2 3.59Å; I330-I358 HydrophobicContact CG1-CG2 3.76Å; I330-E359 PolarHBondContact N-O 2.64Å; I330-L360 HydrophobicContact CB-CD1 3.81Å; I330-L360 HydrophobicContact CG2-CD1 3.62Å; I330-I361 PolarHBondContact O-N 3.43Å; I330-V426 CarbonylContact C-O 3.03Å; I330-V426 WeakPolarHBondContact CA-O 3.41Å; I330-V426 HydrophobicContact CG1-CB 4.11Å; I330-V426 HydrophobicContact CG1-CG2 4.45Å; I330-V426 HydrophobicContact CG2-CB 4.44Å; I330-H428 VanDerWaalsContact CG2-CD2 3.44Å; I330-H428 WeakPolarHBondContact CG2-CD2 3.35Å; I330-H428 VanDerWaalsContact CG2-NE2 3.32Å; I330-H428 WeakPolarHBondContact CG2-NE2 3.29Å
331	F	98.9	Very high	96.8	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.009	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	101.5	172.3	-69.9	-77.5	0	0	0	109.7	T329 S333 I361 L363 K413 I414 K417 V425 V426 H428	T329-F331 HydrophobicContact CG2-CD2 4.06Å; T329-F331 HydrophobicContact CG2-CE1 4.24Å; T329-F331 HydrophobicContact CG2-CE2 3.59Å; T329-F331 HydrophobicContact CG2-CZ 3.71Å; F331-S333 PolarHBondContact O-N 3.41Å; F331-I361 WeakPolarHBondContact CA-O 3.35Å; F331-I361 HydrophobicContact CD1-CB 3.91Å; F331-I361 HydrophobicContact CD1-CD1 4.44Å; F331-I361 HydrophobicContact CD1-CG2 4.09Å; F331-I361 HydrophobicContact CE1-CB 4.08Å; F331-I361 HydrophobicContact CE1-CD1 3.77Å; F331-I361 HydrophobicContact CE1-CG1 4.46Å; F331-I361 HydrophobicContact CE1-CG2 4.11Å; F331-I361 HydrophobicContact CZ-CD1 4.22Å; F331-L363 HydrophobicContact CB-CD1 4.1Å; F331-L363 HydrophobicContact CB-CG 4.42Å; F331-L363 HydrophobicContact CD1-CD1 4.39Å; F331-L363 HydrophobicContact CD1-CD2 3.69Å; F331-L363 HydrophobicContact CD1-CG 4.2Å; F331-L363 HydrophobicContact CE1-CD2 4.26Å; F331-K413 HydrophobicContact CE1-CB 3.92Å; F331-K413 HydrophobicContact CZ-CB 4.21Å; F331-I414 HydrophobicContact CB-CD1 4.39Å; F331-I414 HydrophobicContact CB-CG1 4.23Å; F331-I414 HydrophobicContact CD1-CG1 4.35Å; F331-I414 HydrophobicContact CD2-CG1 3.53Å; F331-I414 HydrophobicContact CE2-CB 4.49Å; F331-I414 HydrophobicContact CE2-CG1 3.86Å; F331-I414 HydrophobicContact CG-CD1 4.45Å; F331-I414 HydrophobicContact CG-CG1 3.78Å; F331-I414 HydrophobicContact CZ-CG1 4.38Å; F331-K417 HydrophobicContact CE2-CB 4.21Å; F331-K417 HydrophobicContact CE2-CG 4.32Å; F331-K417 HydrophobicContact CZ-CB 4.21Å; F331-K417 HydrophobicContact CZ-CG 4.48Å; F331-V425 HydrophobicContact CD2-CB 4.11Å; F331-V425 HydrophobicContact CD2-CG1 4.25Å; F331-V425 HydrophobicContact CE2-CB 4.15Å; F331-V425 HydrophobicContact CE2-CG1 3.77Å; F331-V426 PolarHBondContact N-O 3.47Å; F331-H428 PolarHBondContact O-N 3.11Å; F331-H428 VanDerWaalsContact O-N 3.07Å
332	D	98.8	Very high	96.8	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	113.7	167.6	-171.1	-23.4	0	0	0	108.7	R334 L360 I361 F362 L363 H428	D332-R334 PolarHBondContact O-N 3Å; D332-R334 VanDerWaalsContact O-N 3.12Å; D332-R334 VanDerWaalsContact OD1-CB 3.25Å; D332-R334 WeakPolarHBondContact OD1-CB 3.34Å; D332-R334 VanDerWaalsContact OD1-CG 3.25Å; D332-R334 WeakPolarHBondContact OD1-CG 3.45Å; D332-R334 IonicContact OD1-CZ 2.64Å; D332-R334 PolarHBondContact OD1-N 3.28Å; D332-R334 IonicContact OD1-NE 3.3Å; D332-R334 PolarHBondContact OD1-NE 2.97Å; D332-R334 IonicContact OD1-NH2 3.32Å; D332-R334 IonicContact OD2-CZ 2.69Å; D332-R334 VanDerWaalsContact OD2-CZ 3.24Å; D332-R334 IonicContact OD2-NE 3.56Å; D332-R334 PolarHBondContact OD2-NE 3.37Å; D332-R334 IonicContact OD2-NH2 2.93Å; D332-R334 PolarHBondContact OD2-NH2 3.47Å; D332-L360 HydrophobicContact CB-CD1 4.13Å; D332-I361 PolarHBondContact N-O 3.4Å; D332-F362 HydrophobicContact CB-CD1 3.73Å; D332-F362 HydrophobicContact CB-CE1 3.84Å; D332-F362 CarbonylContact O-C 3.6Å; D332-F362 WeakPolarHBondContact O-CA 3.17Å; D332-F362 WeakPolarHBondContact OD2-CE1 3.28Å; D332-L363 PolarHBondContact O-N 3.42Å; D332-H428 IonicContact OD2-CE1 2.78Å; D332-H428 PolarHBondContact OD2-CE1 2.9Å
333	S	98.5	Very high	96.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.251	C	S	.	.			trans	-63.7	-18.5	-178	63.3	0	0	0	0	114.4	F331 I365 H428 C429 R435	F331-S333 PolarHBondContact O-N 3.41Å; S333-I365 WeakPolarHBondContact O-CA 3.32Å; S333-I365 VanDerWaalsContact O-CB 3.22Å; S333-I365 WeakPolarHBondContact O-CB 3.45Å; S333-I365 PolarHBondContact O-N 3.11Å; S333-H428 PolarHBondContact N-O 3.44Å; S333-H428 PolarHBondContact OG-O 2.96Å; S333-H428 VanDerWaalsContact OG-O 3.13Å; S333-C429 WeakPolarHBondContact OG-CB 3.48Å; S333-R435 WeakPolarHBondContact OG-CB 3.39Å
334	R	98.6	Very high	97	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.244	C	C	.	.	S	Bend	trans	-72.7	164.4	-170.1	-65.1	176.5	-66.9	-175.4	1.3	112.8	D332 E338 G348 E364 C429 S430	D332-R334 PolarHBondContact O-N 3Å; D332-R334 VanDerWaalsContact O-N 3.12Å; D332-R334 VanDerWaalsContact OD1-CB 3.25Å; D332-R334 WeakPolarHBondContact OD1-CB 3.34Å; D332-R334 VanDerWaalsContact OD1-CG 3.25Å; D332-R334 WeakPolarHBondContact OD1-CG 3.45Å; D332-R334 IonicContact OD1-CZ 2.64Å; D332-R334 PolarHBondContact OD1-N 3.28Å; D332-R334 IonicContact OD1-NE 3.3Å; D332-R334 PolarHBondContact OD1-NE 2.97Å; D332-R334 IonicContact OD1-NH2 3.32Å; D332-R334 IonicContact OD2-CZ 2.69Å; D332-R334 VanDerWaalsContact OD2-CZ 3.24Å; D332-R334 IonicContact OD2-NE 3.56Å; D332-R334 PolarHBondContact OD2-NE 3.37Å; D332-R334 IonicContact OD2-NH2 2.93Å; D332-R334 PolarHBondContact OD2-NH2 3.47Å; R334-E338 HydrophobicContact CB-CB 4.29Å; R334-G348 PolarHBondContact NH2-O 3.48Å; R334-E364 PolarHBondContact O-N 3.28Å; R334-E364 VanDerWaalsContact O-N 3.12Å; R334-C429 HydrophobicContact CG-CB 4.48Å; R334-S430 WeakPolarHBondContact CD-OG 3.46Å
335	Q	97.8	Very high	97.1	Very high	60 Å²	60	45.5 Å²	45.5	28%	0.28	25%	0.246	S	C	.	.			trans	-69.4	142	158.8	-63.2	-178.1	-33.2	0	0	109.9	S337 E338 A339 E364	Q335-S337 PolarHBondContact O-N 3.42Å; Q335-S337 VanDerWaalsContact O-N 3.15Å; Q335-E338 HydrophobicContact CB-CG 4.23Å; Q335-E338 WeakPolarHBondContact O-CB 3.38Å; Q335-E338 PolarHBondContact O-N 3.03Å; Q335-A339 PolarHBondContact O-N 3.42Å; Q335-E364 WeakPolarHBondContact CA-OE2 3.37Å; Q335-E364 WeakPolarHBondContact CB-OE2 3.5Å; Q335-E364 HydrophobicContact CG-CB 4.46Å; Q335-E364 WeakPolarHBondContact CG-OE2 3.46Å
336	T	97.6	Very high	97.1	Very high	54 Å²	54	49.7 Å²	49.7	33%	0.331	27%	0.266	S	S	.	.	H	α-helix	trans	-53.6	-38.8	-179.4	-59.4	0	0	0	0	111.7	E338 A339 L340 F362 E364	T336-E338 PolarHBondContact O-N 3.3Å; T336-A339 PolarHBondContact O-N 2.79Å; T336-L340 HydrophobicContact CG2-CD1 4.14Å; T336-L340 WeakPolarHBondContact O-CG 3.37Å; T336-L340 PolarHBondContact O-N 3.15Å; T336-F362 HydrophobicContact CG2-CD2 4.49Å; T336-F362 HydrophobicContact CG2-CE2 4.47Å; T336-E364 WeakPolarHBondContact CB-OE1 3.48Å; T336-E364 PolarHBondContact N-OE1 3.5Å; T336-E364 PolarHBondContact N-OE2 2.89Å; T336-E364 PolarHBondContact OG1-OE1 2.71Å
337	S	97.1	Very high	97.4	Very high	77 Å²	77	42 Å²	42	54%	0.538	23%	0.231	S	C	.	.	H	α-helix	trans	-62.6	-38.9	176.4	56.7	0	0	0	0	113.4	Q335 S341	Q335-S337 PolarHBondContact O-N 3.42Å; Q335-S337 VanDerWaalsContact O-N 3.15Å; S337-S341 WeakPolarHBondContact O-CB 3.49Å; S337-S341 PolarHBondContact O-N 2.99Å
338	E	97	Very high	97.4	Very high	34 Å²	34	36 Å²	36	16%	0.159	21%	0.205	C	C	.	.	H	α-helix	trans	-68.4	-41.5	175.7	-67.6	-176.6	-177.6	0	0	111.2	R334 Q335 T336 L340 S341 S342 N367 R435	R334-E338 HydrophobicContact CB-CB 4.29Å; Q335-E338 HydrophobicContact CB-CG 4.23Å; Q335-E338 WeakPolarHBondContact O-CB 3.38Å; Q335-E338 PolarHBondContact O-N 3.03Å; T336-E338 PolarHBondContact O-N 3.3Å; E338-L340 VanDerWaalsContact C-N 3.35Å; E338-S341 PolarHBondContact O-N 3.41Å; E338-S342 WeakPolarHBondContact O-CB 3.19Å; E338-S342 PolarHBondContact O-N 3.33Å; E338-N367 VanDerWaalsContact OE1-CB 3.3Å; E338-N367 WeakPolarHBondContact OE1-CB 3.5Å; E338-N367 PolarHBondContact OE1-N 3.26Å; E338-N367 PolarHBondContact OE1-ND2 3.2Å; E338-R435 IonicContact OE2-CZ 2.71Å; E338-R435 IonicContact OE2-NH1 2.8Å; E338-R435 PolarHBondContact OE2-NH1 3.41Å; E338-R435 IonicContact OE2-NH2 2.77Å; E338-R435 PolarHBondContact OE2-NH2 3.11Å
339	A	97.3	Very high	97.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63	-42.1	177.5	0	0	0	0	0	111.5	Q335 T336 S342 K343 Y349 F362	Q335-A339 PolarHBondContact O-N 3.42Å; T336-A339 PolarHBondContact O-N 2.79Å; A339-S342 WeakPolarHBondContact O-CB 3.39Å; A339-S342 PolarHBondContact O-N 3.48Å; A339-K343 PolarHBondContact O-N 3.42Å; A339-Y349 HydrophobicContact CB-CD1 4.06Å; A339-F362 HydrophobicContact CB-CD1 4.23Å; A339-F362 HydrophobicContact CB-CE1 3.43Å; A339-F362 VanDerWaalsContact CB-CE1 3.43Å; A339-F362 HydrophobicContact CB-CZ 4.06Å
340	L	97.3	Very high	97.4	Very high	85 Å²	85	38.4 Å²	38.4	45%	0.445	21%	0.214	S	C	.	.	H	α-helix	trans	-64.5	-42	173.7	-70.8	170	0	0	0	112.4	T336 E338 S342 K343 A344 Y349	T336-L340 HydrophobicContact CG2-CD1 4.14Å; T336-L340 WeakPolarHBondContact O-CG 3.37Å; T336-L340 PolarHBondContact O-N 3.15Å; E338-L340 VanDerWaalsContact C-N 3.35Å; L340-S342 VanDerWaalsContact C-N 3.29Å; L340-S342 PolarHBondContact O-N 3.47Å; L340-K343 WeakPolarHBondContact O-CB 3.36Å; L340-K343 PolarHBondContact O-N 3.36Å; L340-A344 PolarHBondContact O-N 2.94Å; L340-Y349 HydrophobicContact CD2-CE1 4.14Å
341	S	97.3	Very high	97.1	Very high	67 Å²	67	40.1 Å²	40.1	47%	0.469	22%	0.223	S	C	.	.	H	α-helix	trans	-63.5	-36.4	175.2	-175.8	0	0	0	0	112.1	S337 E338 A344	S337-S341 WeakPolarHBondContact O-CB 3.49Å; S337-S341 PolarHBondContact O-N 2.99Å; E338-S341 PolarHBondContact O-N 3.41Å; S341-A344 PolarHBondContact O-N 3.25Å
342	S	96.3	Very high	96.7	Very high	17 Å²	17	45 Å²	45	12%	0.119	25%	0.246	C	C	.	.	H	α-helix	trans	-67	-42.7	174.1	-154.7	0	0	0	0	111.6	Q298 E338 A339 L340 A344 K345 D346 G347	Q298-S342 VanDerWaalsContact CD-OG 3.27Å; Q298-S342 PolarHBondContact NE2-OG 3.11Å; Q298-S342 VanDerWaalsContact NE2-OG 3.15Å; Q298-S342 PolarHBondContact OE1-OG 3.27Å; E338-S342 WeakPolarHBondContact O-CB 3.19Å; E338-S342 PolarHBondContact O-N 3.33Å; A339-S342 WeakPolarHBondContact O-CB 3.39Å; A339-S342 PolarHBondContact O-N 3.48Å; L340-S342 VanDerWaalsContact C-N 3.29Å; L340-S342 PolarHBondContact O-N 3.47Å; S342-A344 VanDerWaalsContact C-N 3.3Å; S342-A344 PolarHBondContact O-N 3.1Å; S342-K345 PolarHBondContact O-N 2.87Å; S342-K345 VanDerWaalsContact O-N 3.08Å; S342-D346 PolarHBondContact O-N 3.3Å; S342-G347 PolarHBondContact O-N 3.44Å; S342-G347 VanDerWaalsContact O-N 3.15Å
343	K	97.5	Very high	96.3	Very high	36 Å²	36	51.6 Å²	51.6	16%	0.157	28%	0.282	C	S	.	.	H	α-helix	trans	-58.4	-40.2	174	-173.1	-178.7	179.5	-174.9	0	112.2	V301 G302 P303 D305 A339 L340 K345 G347 Y349	V301-K343 HydrophobicContact CG2-CG 4.22Å; G302-K343 CarbonylContact C-O 3.56Å; G302-K343 WeakPolarHBondContact CA-O 3.45Å; G302-K343 WeakPolarHBondContact O-CG 3.07Å; P303-K343 WeakPolarHBondContact CD-O 3.31Å; D305-K343 WeakPolarHBondContact OD1-CE 3.5Å; D305-K343 IonicContact OD1-NZ 3.11Å; D305-K343 PolarHBondContact OD1-NZ 3.31Å; D305-K343 IonicContact OD2-NZ 3.5Å; D305-K343 PolarHBondContact OD2-NZ 2.92Å; A339-K343 PolarHBondContact O-N 3.42Å; L340-K343 WeakPolarHBondContact O-CB 3.36Å; L340-K343 PolarHBondContact O-N 3.36Å; K343-K345 PolarHBondContact O-N 2.89Å; K343-K345 VanDerWaalsContact O-N 3.08Å; K343-G347 WeakPolarHBondContact CA-O 3.4Å; K343-Y349 HydrophobicContact CD-CE1 4.35Å
344	A	97.2	Very high	96	Very high	72 Å²	72	54.5 Å²	54.5	60%	0.595	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-12.8	178.5	0	0	0	0	0	114	L340 S341 S342	L340-A344 PolarHBondContact O-N 2.94Å; S341-A344 PolarHBondContact O-N 3.25Å; S342-A344 VanDerWaalsContact C-N 3.3Å; S342-A344 PolarHBondContact O-N 3.1Å
345	K	95.4	Very high	95.7	Very high	149 Å²	149	54.9 Å²	54.9	65%	0.648	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-96.5	175	-62.8	175.1	-176.9	175.7	0	109.7	P303 S342 K343	P303-K345 WeakPolarHBondContact CD-O 3.46Å; S342-K345 PolarHBondContact O-N 2.87Å; S342-K345 VanDerWaalsContact O-N 3.08Å; K343-K345 PolarHBondContact O-N 2.89Å; K343-K345 VanDerWaalsContact O-N 3.08Å
346	D	94.4	Very high	95.2	Very high	103 Å²	103	55.7 Å²	55.7	55%	0.551	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.7	-20.3	-173.9	59	-22.4	0	0	0	112.4	L300 G302 S342	L300-D346 CarbonylContact C-O 3.46Å; L300-D346 WeakPolarHBondContact CA-O 3.2Å; G302-D346 PolarHBondContact N-O 2.54Å; S342-D346 PolarHBondContact O-N 3.3Å
347	G	97.1	Very high	95	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.313	C	S	.	.			trans	-83.2	-148.5	176.3	0	0	0	0	0	113.5	P299 V301 G302 S342 K343	P299-G347 CarbonylContact O-C 3.56Å; P299-G347 VanDerWaalsContact O-C 3.23Å; P299-G347 WeakPolarHBondContact O-CA 3.5Å; V301-G347 WeakPolarHBondContact CG2-O 3.16Å; G302-G347 WeakPolarHBondContact CA-O 3.43Å; G302-G347 PolarHBondContact N-O 2.99Å; S342-G347 PolarHBondContact O-N 3.44Å; S342-G347 VanDerWaalsContact O-N 3.15Å; K343-G347 WeakPolarHBondContact CA-O 3.4Å
348	G	96.9	Very high	95	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.292	C	S	.	.			trans	139.9	-144.6	173.5	0	0	0	0	0	112	Q298 P299 R334	Q298-G348 WeakPolarHBondContact CB-O 3.41Å; P299-G348 PolarHBondContact O-N 3.36Å; R334-G348 PolarHBondContact NH2-O 3.48Å
349	Y	97.9	Very high	95	Very high	50 Å²	50	56 Å²	56	20%	0.196	30%	0.299	C	S	.	.			trans	-150.4	162.9	-174.8	57.7	-94.5	0	0	0	110.5	A339 L340 K343 N351 L360 F362	A339-Y349 HydrophobicContact CB-CD1 4.06Å; L340-Y349 HydrophobicContact CD2-CE1 4.14Å; K343-Y349 HydrophobicContact CD-CE1 4.35Å; Y349-N351 PolarHBondContact O-N 2.79Å; Y349-L360 HydrophobicContact CD2-CD2 3.33Å; Y349-L360 HydrophobicContact CE2-CD2 4.15Å; Y349-L360 HydrophobicContact CG-CD2 3.87Å; Y349-F362 AromaticContact CD1-CZ 3.99Å; Y349-F362 HydrophobicContact CD1-CZ 3.99Å; Y349-F362 HydrophobicContact CD2-CZ 4.27Å; Y349-F362 HydrophobicContact CE1-CZ 4.3Å; Y349-F362 AromaticContact CG-CZ 3.97Å; Y349-F362 HydrophobicContact CG-CZ 3.97Å
350	E	97.5	Very high	95	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.306	C	S	.	.			trans	-70	111.9	-179.2	-66.6	85.3	165.7	0	0	110.7	R274 P299 L315 I330 Y355 L360 H428	R274-E350 IonicContact CZ-OE1 3.63Å; R274-E350 IonicContact NH1-OE1 2.77Å; R274-E350 PolarHBondContact NH1-OE1 2.88Å; R274-E350 IonicContact NH2-OE1 3.71Å; R274-E350 PolarHBondContact NH2-OE1 2.76Å; P299-E350 HydrophobicContact CG-CG 4.27Å; L315-E350 HydrophobicContact CD1-CG 4.23Å; I330-E350 HydrophobicContact CD1-CB 3.83Å; I330-E350 HydrophobicContact CD1-CG 3.59Å; E350-Y355 HydrophobicContact CB-CD1 4.41Å; E350-Y355 HydrophobicContact CB-CD2 3.68Å; E350-Y355 HydrophobicContact CB-CE1 4.49Å; E350-Y355 HydrophobicContact CB-CE2 3.79Å; E350-Y355 HydrophobicContact CB-CG 4.01Å; E350-Y355 HydrophobicContact CG-CD1 4.27Å; E350-Y355 HydrophobicContact CG-CD2 4.21Å; E350-Y355 HydrophobicContact CG-CE1 3.99Å; E350-Y355 HydrophobicContact CG-CE2 3.95Å; E350-Y355 HydrophobicContact CG-CG 4.37Å; E350-L360 WeakPolarHBondContact O-CD2 3.36Å; E350-H428 IonicContact OE1-NE2 3.79Å; E350-H428 IonicContact OE2-CE1 3.45Å; E350-H428 IonicContact OE2-NE2 2.92Å; E350-H428 PolarHBondContact OE2-NE2 2.62Å; E350-H428 VanDerWaalsContact OE2-NE2 3.15Å
351	N	92.8	Very high	95.1	Very high	36 Å²	36	55.2 Å²	55.2	19%	0.193	30%	0.295	C	S	.	.			trans	-80.3	119.1	178.5	-174.7	-28.1	0	0	0	110.5	Y349 N353 F354 Y355	Y349-N351 PolarHBondContact O-N 2.79Å; N351-N353 PolarHBondContact O-N 3.36Å; N351-N353 WeakPolarHBondContact OD1-CB 3.48Å; N351-N353 PolarHBondContact OD1-N 3.45Å; N351-N353 VanDerWaalsContact OD1-N 3.12Å; N351-N353 PolarHBondContact OD1-ND2 3.14Å; N351-F354 HydrophobicContact CB-CD2 3.78Å; N351-F354 HydrophobicContact CB-CE2 4.18Å; N351-F354 PolarHBondContact O-N 2.68Å; N351-Y355 WeakPolarHBondContact O-CD2 3.39Å; N351-Y355 PolarHBondContact O-N 3.39Å; N351-Y355 VanDerWaalsContact O-N 3.15Å
352	E	91.2	Very high	95.1	Very high	104 Å²	104	54.2 Å²	54.2	49%	0.486	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-20.5	-176.9	-60.2	-177.1	157.3	0	0	114.1	F354 L360	E352-F354 VanDerWaalsContact C-N 3.33Å; E352-F354 PolarHBondContact O-N 2.85Å; E352-L360 HydrophobicContact CG-CB 4.49Å; E352-L360 PolarHBondContact OE1-N 3.4Å
353	N	90.5	Very high	95.2	Very high	140 Å²	140	53.9 Å²	53.9	75%	0.749	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-26.6	173.3	-65.8	-51.3	0	0	0	114	N351	N351-N353 PolarHBondContact O-N 3.36Å; N351-N353 WeakPolarHBondContact OD1-CB 3.48Å; N351-N353 PolarHBondContact OD1-N 3.45Å; N351-N353 VanDerWaalsContact OD1-N 3.12Å; N351-N353 PolarHBondContact OD1-ND2 3.14Å
354	F	91.4	Very high	95.3	Very high	61 Å²	61	55.5 Å²	55.5	27%	0.268	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-21.2	-179.1	-53.4	-45	0	0	0	112.7	D305 R307 N351 E352 P356	D305-F354 HydrophobicContact CB-CE2 4.15Å; R307-F354 HydrophobicContact CG-CD2 4.24Å; R307-F354 HydrophobicContact CG-CG 4.36Å; N351-F354 HydrophobicContact CB-CD2 3.78Å; N351-F354 HydrophobicContact CB-CE2 4.18Å; N351-F354 PolarHBondContact O-N 2.68Å; E352-F354 VanDerWaalsContact C-N 3.33Å; E352-F354 PolarHBondContact O-N 2.85Å; F354-P356 VanDerWaalsContact O-CD 3.24Å; F354-P356 WeakPolarHBondContact O-CD 3.33Å
355	Y	91.8	Very high	95.3	Very high	7 Å²	7	52 Å²	52	3%	0.027	26%	0.258	C	S	.	.	S	Bend	trans	-109.1	84.9	178.3	-68.2	-88.9	0	0	0	108.8	D311 E312 L315 E350 N351 I358	D311-Y355 PolarHBondContact OD2-OH 3.06Å; E312-Y355 HydrophobicContact CB-CE1 4.38Å; E312-Y355 HydrophobicContact CG-CD1 4.06Å; E312-Y355 HydrophobicContact CG-CE1 3.72Å; L315-Y355 HydrophobicContact CD1-CD1 3.82Å; L315-Y355 HydrophobicContact CD1-CE1 3.77Å; E350-Y355 HydrophobicContact CB-CD1 4.41Å; E350-Y355 HydrophobicContact CB-CD2 3.68Å; E350-Y355 HydrophobicContact CB-CE1 4.49Å; E350-Y355 HydrophobicContact CB-CE2 3.79Å; E350-Y355 HydrophobicContact CB-CG 4.01Å; E350-Y355 HydrophobicContact CG-CD1 4.27Å; E350-Y355 HydrophobicContact CG-CD2 4.21Å; E350-Y355 HydrophobicContact CG-CE1 3.99Å; E350-Y355 HydrophobicContact CG-CE2 3.95Å; E350-Y355 HydrophobicContact CG-CG 4.37Å; N351-Y355 WeakPolarHBondContact O-CD2 3.39Å; N351-Y355 PolarHBondContact O-N 3.39Å; N351-Y355 VanDerWaalsContact O-N 3.15Å; Y355-I358 HydrophobicContact CD1-CD1 3.78Å; Y355-I358 HydrophobicContact CG-CD1 4.08Å; Y355-I358 PolarHBondContact O-N 2.99Å
356	P	88.8	Confident	95.4	Very high	78 Å²	78	45 Å²	45	51%	0.506	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	145.7	-178.9	28.2	-35.1	0	0	0	110.2	F354 I358	F354-P356 VanDerWaalsContact O-CD 3.24Å; F354-P356 WeakPolarHBondContact O-CD 3.33Å; P356-I358 PolarHBondContact O-N 2.93Å; P356-I358 VanDerWaalsContact O-N 3.09Å
357	N	93.5	Very high	95.6	Very high	89 Å²	89	42.1 Å²	42.1	48%	0.476	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	9.2	179.2	-50.4	-51.6	0	0	0	115.6	M319 H326 K327 L328	M319-N357 HydrophobicContact CE-CB 3.91Å; M319-N357 HydrophobicContact SD-CB 3.65Å; H326-N357 WeakPolarHBondContact O-CB 3.33Å; K327-N357 VanDerWaalsContact CA-O 3.3Å; K327-N357 WeakPolarHBondContact CA-O 3.44Å; L328-N357 PolarHBondContact N-O 3.35Å; L328-N357 VanDerWaalsContact N-O 3.08Å
358	I	95.6	Very high	95.6	Very high	18 Å²	18	43 Å²	43	9%	0.092	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	137	170.7	-81.3	164.4	0	0	0	110.5	L315 L328 I330 Y355 P356	L315-I358 HydrophobicContact CB-CD1 3.96Å; L315-I358 HydrophobicContact CD1-CD1 3.72Å; L328-I358 HydrophobicContact CB-CG1 3.96Å; L328-I358 HydrophobicContact CD2-CD1 4.18Å; L328-I358 HydrophobicContact CD2-CG1 4.17Å; L328-I358 HydrophobicContact CG-CG1 4.29Å; L328-I358 VanDerWaalsContact O-CA 3.25Å; L328-I358 WeakPolarHBondContact O-CA 3.4Å; I330-I358 HydrophobicContact CD1-CD1 4.08Å; I330-I358 HydrophobicContact CD1-CG1 4.4Å; I330-I358 HydrophobicContact CD1-CG2 3.59Å; I330-I358 HydrophobicContact CG1-CG2 3.76Å; Y355-I358 HydrophobicContact CD1-CD1 3.78Å; Y355-I358 HydrophobicContact CG-CD1 4.08Å; Y355-I358 PolarHBondContact O-N 2.99Å; P356-I358 PolarHBondContact O-N 2.93Å; P356-I358 VanDerWaalsContact O-N 3.09Å
359	E	96.9	Very high	95.6	Very high	65 Å²	65	46.8 Å²	46.8	30%	0.304	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	117.1	171	174	-174.1	-138.8	0	0	108.6	L328 T329 I330 I361 K417	L328-E359 PolarHBondContact O-N 2.95Å; T329-E359 CarbonylContact C-O 3.46Å; T329-E359 WeakPolarHBondContact CA-O 3.45Å; T329-E359 HydrophobicContact CG2-CG 4.41Å; T329-E359 PolarHBondContact OG1-OE2 3.14Å; I330-E359 PolarHBondContact N-O 2.64Å; E359-I361 HydrophobicContact CG-CD1 4.27Å; E359-I361 HydrophobicContact CG-CG1 4.13Å; E359-K417 IonicContact OE2-NZ 3.14Å; E359-K417 PolarHBondContact OE2-NZ 3.43Å
360	L	98	Very high	95.6	Very high	27 Å²	27	46.6 Å²	46.6	14%	0.141	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	126.7	179.1	179.9	66.7	0	0	0	111.8	I330 D332 Y349 E350 E352 F362	I330-L360 HydrophobicContact CB-CD1 3.81Å; I330-L360 HydrophobicContact CG2-CD1 3.62Å; D332-L360 HydrophobicContact CB-CD1 4.13Å; Y349-L360 HydrophobicContact CD2-CD2 3.33Å; Y349-L360 HydrophobicContact CE2-CD2 4.15Å; Y349-L360 HydrophobicContact CG-CD2 3.87Å; E350-L360 WeakPolarHBondContact O-CD2 3.36Å; E352-L360 HydrophobicContact CG-CB 4.49Å; E352-L360 PolarHBondContact OE1-N 3.4Å; L360-F362 HydrophobicContact CD2-CE2 4.1Å; L360-F362 HydrophobicContact CD2-CZ 3.85Å; L360-F362 HydrophobicContact CG-CE2 4.48Å; L360-F362 HydrophobicContact CG-CZ 4.46Å
361	I	98.4	Very high	95.7	Very high	41 Å²	41	46.7 Å²	46.7	21%	0.21	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	121.4	-179.5	-56.8	178.8	0	0	0	110.3	T329 I330 F331 D332 E359 L363	T329-I361 HydrophobicContact CG2-CD1 3.71Å; T329-I361 HydrophobicContact CG2-CG1 4.19Å; I330-I361 PolarHBondContact O-N 3.43Å; F331-I361 WeakPolarHBondContact CA-O 3.35Å; F331-I361 HydrophobicContact CD1-CB 3.91Å; F331-I361 HydrophobicContact CD1-CD1 4.44Å; F331-I361 HydrophobicContact CD1-CG2 4.09Å; F331-I361 HydrophobicContact CE1-CB 4.08Å; F331-I361 HydrophobicContact CE1-CD1 3.77Å; F331-I361 HydrophobicContact CE1-CG1 4.46Å; F331-I361 HydrophobicContact CE1-CG2 4.11Å; F331-I361 HydrophobicContact CZ-CD1 4.22Å; D332-I361 PolarHBondContact N-O 3.4Å; E359-I361 HydrophobicContact CG-CD1 4.27Å; E359-I361 HydrophobicContact CG-CG1 4.13Å; I361-L363 HydrophobicContact CG2-CD2 4.4Å
362	F	98.6	Very high	95.9	Very high	46 Å²	46	48.7 Å²	48.7	20%	0.202	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	129.9	169.1	-64.5	-74.9	0	0	0	111.1	D332 T336 A339 Y349 L360	D332-F362 HydrophobicContact CB-CD1 3.73Å; D332-F362 HydrophobicContact CB-CE1 3.84Å; D332-F362 CarbonylContact O-C 3.6Å; D332-F362 WeakPolarHBondContact O-CA 3.17Å; D332-F362 WeakPolarHBondContact OD2-CE1 3.28Å; T336-F362 HydrophobicContact CG2-CD2 4.49Å; T336-F362 HydrophobicContact CG2-CE2 4.47Å; A339-F362 HydrophobicContact CB-CD1 4.23Å; A339-F362 HydrophobicContact CB-CE1 3.43Å; A339-F362 VanDerWaalsContact CB-CE1 3.43Å; A339-F362 HydrophobicContact CB-CZ 4.06Å; Y349-F362 AromaticContact CD1-CZ 3.99Å; Y349-F362 HydrophobicContact CD1-CZ 3.99Å; Y349-F362 HydrophobicContact CD2-CZ 4.27Å; Y349-F362 HydrophobicContact CE1-CZ 4.3Å; Y349-F362 AromaticContact CG-CZ 3.97Å; Y349-F362 HydrophobicContact CG-CZ 3.97Å; L360-F362 HydrophobicContact CD2-CE2 4.1Å; L360-F362 HydrophobicContact CD2-CZ 3.85Å; L360-F362 HydrophobicContact CG-CE2 4.48Å; L360-F362 HydrophobicContact CG-CZ 4.46Å
363	L	98.5	Very high	96.2	Very high	9 Å²	9	47.2 Å²	47.2	5%	0.047	24%	0.237	C	C	.	.			trans	-92.8	-8.4	-179.8	-60.3	178	0	0	0	113.8	F331 D332 I361 I365 K413 I414 L439	F331-L363 HydrophobicContact CB-CD1 4.1Å; F331-L363 HydrophobicContact CB-CG 4.42Å; F331-L363 HydrophobicContact CD1-CD1 4.39Å; F331-L363 HydrophobicContact CD1-CD2 3.69Å; F331-L363 HydrophobicContact CD1-CG 4.2Å; F331-L363 HydrophobicContact CE1-CD2 4.26Å; D332-L363 PolarHBondContact O-N 3.42Å; I361-L363 HydrophobicContact CG2-CD2 4.4Å; L363-I365 VanDerWaalsContact C-N 3.28Å; L363-I365 HydrophobicContact CB-CD1 4.08Å; L363-I365 HydrophobicContact CB-CG1 4.09Å; L363-I365 HydrophobicContact CD1-CD1 4.35Å; L363-I365 PolarHBondContact O-N 3Å; L363-K413 HydrophobicContact CD2-CD 3.91Å; L363-I414 HydrophobicContact CD1-CD1 4.46Å; L363-L439 HydrophobicContact CD1-CD1 3.5Å; L363-L439 VanDerWaalsContact CD1-CD1 3.5Å; L363-L439 HydrophobicContact CD1-CD2 3.93Å; L363-L439 HydrophobicContact CD1-CG 4.38Å
364	E	98.3	Very high	96.6	Very high	70 Å²	70	40.7 Å²	40.7	33%	0.327	20%	0.202	S	C	.	.			trans	60.5	32.2	174.9	-58.6	-64.9	143.5	0	0	114.1	R334 Q335 T336	R334-E364 PolarHBondContact O-N 3.28Å; R334-E364 VanDerWaalsContact O-N 3.12Å; Q335-E364 WeakPolarHBondContact CA-OE2 3.37Å; Q335-E364 WeakPolarHBondContact CB-OE2 3.5Å; Q335-E364 HydrophobicContact CG-CB 4.46Å; Q335-E364 WeakPolarHBondContact CG-OE2 3.46Å; T336-E364 WeakPolarHBondContact CB-OE1 3.48Å; T336-E364 PolarHBondContact N-OE1 3.5Å; T336-E364 PolarHBondContact N-OE2 2.89Å; T336-E364 PolarHBondContact OG1-OE1 2.71Å
365	I	98.3	Very high	96.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.195	C	C	.	.			trans	-84.5	124.7	179.2	-56.4	170.3	0	0	0	109.7	S333 L363 L407 R435 L439	S333-I365 WeakPolarHBondContact O-CA 3.32Å; S333-I365 VanDerWaalsContact O-CB 3.22Å; S333-I365 WeakPolarHBondContact O-CB 3.45Å; S333-I365 PolarHBondContact O-N 3.11Å; L363-I365 VanDerWaalsContact C-N 3.28Å; L363-I365 HydrophobicContact CB-CD1 4.08Å; L363-I365 HydrophobicContact CB-CG1 4.09Å; L363-I365 HydrophobicContact CD1-CD1 4.35Å; L363-I365 PolarHBondContact O-N 3Å; I365-L407 HydrophobicContact CD1-CD1 3.96Å; I365-R435 HydrophobicContact CB-CG 4.5Å; I365-R435 HydrophobicContact CG2-CG 3.94Å; I365-R435 PolarHBondContact O-NH1 2.92Å; I365-L439 HydrophobicContact CD1-CD1 4.02Å; I365-L439 HydrophobicContact CD1-CD2 3.87Å; I365-L439 HydrophobicContact CD1-CG 4.18Å
366	P	97.6	Very high	97.1	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.013	21%	0.212	C	C	.	.			trans	-62	155.3	-177.3	-21.3	31	0	0	0	114.5	V370 I371 Y403	P366-V370 HydrophobicContact CB-CB 3.58Å; P366-V370 HydrophobicContact CB-CG1 3.56Å; P366-V370 HydrophobicContact CB-CG2 4.05Å; P366-V370 HydrophobicContact CG-CG1 4.08Å; P366-I371 HydrophobicContact CB-CD1 4.27Å; P366-I371 HydrophobicContact CG-CD1 4.47Å; P366-Y403 HydrophobicContact CG-CD1 3.65Å; P366-Y403 HydrophobicContact CG-CE1 3.57Å; P366-Y403 HydrophobicContact CG-CG 4.37Å
367	N	97.3	Very high	97.5	Very high	41 Å²	41	43.4 Å²	43.4	22%	0.219	20%	0.204	C	C	.	.			trans	-71.8	176.7	174.1	67.8	55.2	0	0	0	114.5	E338 H369 V370 I371	E338-N367 VanDerWaalsContact OE1-CB 3.3Å; E338-N367 WeakPolarHBondContact OE1-CB 3.5Å; E338-N367 PolarHBondContact OE1-N 3.26Å; E338-N367 PolarHBondContact OE1-ND2 3.2Å; N367-H369 PolarHBondContact O-N 3.02Å; N367-H369 VanDerWaalsContact O-N 3.15Å; N367-H369 WeakPolarHBondContact OD1-CB 3.45Å; N367-H369 PolarHBondContact OD1-N 3.32Å; N367-V370 PolarHBondContact O-N 2.8Å; N367-V370 PolarHBondContact OD1-N 2.86Å; N367-I371 PolarHBondContact O-N 3.14Å
368	I	97.7	Very high	97.6	Very high	18 Å²	18	39.2 Å²	39.2	9%	0.092	18%	0.182	C	C	.	.	H	α-helix	trans	-57.8	-31.3	-174.9	75.9	176.1	0	0	0	113.8	R372 S489 L491	I368-R372 WeakPolarHBondContact O-CB 3.47Å; I368-R372 PolarHBondContact O-N 3.26Å; I368-S489 WeakPolarHBondContact CA-OG 3.05Å; I368-S489 WeakPolarHBondContact O-CB 3.34Å; I368-S489 PolarHBondContact O-OG 3.2Å; I368-L491 HydrophobicContact CG2-CD1 3.9Å
369	H	97.3	Very high	97.6	Very high	81 Å²	81	40.3 Å²	40.3	38%	0.375	18%	0.184	S	C	.	.	H	α-helix	trans	-75.2	-39.5	-177.1	-54.6	-46.3	0	0	0	111.4	N367 R372 E373 T486	N367-H369 PolarHBondContact O-N 3.02Å; N367-H369 VanDerWaalsContact O-N 3.15Å; N367-H369 WeakPolarHBondContact OD1-CB 3.45Å; N367-H369 PolarHBondContact OD1-N 3.32Å; H369-R372 PolarHBondContact ND1-NH2 3.35Å; H369-R372 PolarHBondContact O-N 3.17Å; H369-E373 WeakPolarHBondContact O-CB 3.49Å; H369-E373 PolarHBondContact O-N 3.02Å; H369-T486 PolarHBondContact CE1-O 2.79Å; H369-T486 VanDerWaalsContact CE1-O 3.24Å; H369-T486 PolarHBondContact ND1-O 2.88Å
370	V	98.1	Very high	97.5	Very high	46 Å²	46	41.3 Å²	41.3	28%	0.279	19%	0.192	S	C	.	.	H	α-helix	trans	-64.6	-45	176.5	178.8	0	0	0	0	110.3	P366 N367 R372 E373 S374 Y403	P366-V370 HydrophobicContact CB-CB 3.58Å; P366-V370 HydrophobicContact CB-CG1 3.56Å; P366-V370 HydrophobicContact CB-CG2 4.05Å; P366-V370 HydrophobicContact CG-CG1 4.08Å; N367-V370 PolarHBondContact O-N 2.8Å; N367-V370 PolarHBondContact OD1-N 2.86Å; V370-R372 PolarHBondContact O-N 3.16Å; V370-E373 PolarHBondContact O-N 3.49Å; V370-S374 WeakPolarHBondContact O-CB 3.2Å; V370-S374 PolarHBondContact O-N 3.33Å; V370-Y403 HydrophobicContact CG1-CE1 4.35Å; V370-Y403 HydrophobicContact CG1-CE2 3.71Å; V370-Y403 WeakPolarHBondContact CG1-OH 3.3Å
371	I	98.4	Very high	97.3	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-66.9	-37.4	179	-56	-53.3	0	0	0	111.7	P366 N367 S374 L375 W400 Y403 P490 L491	P366-I371 HydrophobicContact CB-CD1 4.27Å; P366-I371 HydrophobicContact CG-CD1 4.47Å; N367-I371 PolarHBondContact O-N 3.14Å; I371-S374 PolarHBondContact O-N 2.83Å; I371-L375 PolarHBondContact O-N 2.91Å; I371-L375 VanDerWaalsContact O-N 3.14Å; I371-W400 HydrophobicContact CG2-CH2 4.41Å; I371-W400 HydrophobicContact CG2-CZ3 3.93Å; I371-Y403 HydrophobicContact CD1-CD2 3.76Å; I371-Y403 HydrophobicContact CD1-CE2 4.5Å; I371-Y403 HydrophobicContact CD1-CG 3.85Å; I371-P490 HydrophobicContact CG2-CG 3.9Å; I371-L491 HydrophobicContact CB-CD2 4.29Å; I371-L491 HydrophobicContact CG1-CD2 4.17Å; I371-L491 HydrophobicContact CG2-CD2 4.24Å
372	R	97.5	Very high	97	Very high	79 Å²	79	39.5 Å²	39.5	30%	0.298	18%	0.184	S	C	.	.	H	α-helix	trans	-59.7	-48	172.2	174.7	177.7	58.7	-134.5	7.1	111.4	I368 H369 V370 S374 L375 R376 T486 R488	I368-R372 WeakPolarHBondContact O-CB 3.47Å; I368-R372 PolarHBondContact O-N 3.26Å; H369-R372 PolarHBondContact ND1-NH2 3.35Å; H369-R372 PolarHBondContact O-N 3.17Å; V370-R372 PolarHBondContact O-N 3.16Å; R372-S374 VanDerWaalsContact C-N 3.32Å; R372-S374 PolarHBondContact O-N 2.85Å; R372-L375 PolarHBondContact O-N 3.35Å; R372-R376 WeakPolarHBondContact O-CB 3.19Å; R372-R376 PolarHBondContact O-N 3.16Å; R372-T486 PolarHBondContact NH1-O 3.44Å; R372-R488 WeakPolarHBondContact CD-O 3.25Å; R372-R488 PolarHBondContact NH1-O 2.84Å
373	E	98.2	Very high	96.6	Very high	72 Å²	72	38.4 Å²	38.4	34%	0.336	18%	0.178	S	C	.	.	H	α-helix	trans	-65.3	-37.8	-178.9	178.8	54.3	-157	0	0	111.9	H369 V370 R376 K377	H369-E373 WeakPolarHBondContact O-CB 3.49Å; H369-E373 PolarHBondContact O-N 3.02Å; V370-E373 PolarHBondContact O-N 3.49Å; E373-R376 VanDerWaalsContact CD-NE 3.31Å; E373-R376 WeakPolarHBondContact O-CB 3.41Å; E373-R376 PolarHBondContact O-N 3.45Å; E373-R376 IonicContact OE1-CZ 2.77Å; E373-R376 IonicContact OE1-NE 2.77Å; E373-R376 PolarHBondContact OE1-NE 2.66Å; E373-R376 VanDerWaalsContact OE1-NE 3.14Å; E373-R376 IonicContact OE1-NH2 3.04Å; E373-R376 PolarHBondContact OE1-NH2 2.91Å; E373-R376 WeakPolarHBondContact OE2-CD 3.27Å; E373-R376 IonicContact OE2-CZ 3.6Å; E373-R376 IonicContact OE2-NE 2.98Å; E373-R376 PolarHBondContact OE2-NE 2.86Å; E373-R376 IonicContact OE2-NH2 3.93Å; E373-K377 WeakPolarHBondContact O-CG 3.35Å; E373-K377 PolarHBondContact O-N 3.36Å; E373-K377 WeakPolarHBondContact OE1-CE 3.38Å
374	S	98.6	Very high	95.9	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.021	19%	0.192	C	C	.	.	H	α-helix	trans	-58.1	-49.5	174.2	-174.4	0	0	0	0	112.4	V370 I371 R372 R376 K377 M378 T398 W400	V370-S374 WeakPolarHBondContact O-CB 3.2Å; V370-S374 PolarHBondContact O-N 3.33Å; I371-S374 PolarHBondContact O-N 2.83Å; R372-S374 VanDerWaalsContact C-N 3.32Å; R372-S374 PolarHBondContact O-N 2.85Å; S374-R376 VanDerWaalsContact C-N 3.33Å; S374-R376 PolarHBondContact O-N 3.31Å; S374-K377 PolarHBondContact O-N 3.48Å; S374-M378 PolarHBondContact O-N 3.06Å; S374-T398 WeakPolarHBondContact CB-O 3.24Å; S374-T398 PolarHBondContact OG-O 3.06Å; S374-W400 WeakPolarHBondContact OG-CA 3.46Å; S374-W400 PolarHBondContact OG-N 3.13Å
375	L	97.4	Very high	95.3	Very high	22 Å²	22	42 Å²	42	12%	0.115	21%	0.207	C	C	.	.	H	α-helix	trans	-66.6	-35.5	177.3	-173	64	0	0	0	112.2	I171 I371 R372 M378 R379 W400 P490 Y592	I171-L375 HydrophobicContact CD1-CD1 3.89Å; I171-L375 HydrophobicContact CD1-CD2 4.46Å; I171-L375 HydrophobicContact CD1-CG 4.11Å; I371-L375 PolarHBondContact O-N 2.91Å; I371-L375 VanDerWaalsContact O-N 3.14Å; R372-L375 PolarHBondContact O-N 3.35Å; L375-M378 HydrophobicContact CD1-CE 3.28Å; L375-M378 HydrophobicContact CD1-SD 3.88Å; L375-M378 PolarHBondContact O-N 3.43Å; L375-R379 PolarHBondContact O-N 3.28Å; L375-W400 HydrophobicContact CB-CE3 4.25Å; L375-W400 HydrophobicContact CB-CZ3 3.84Å; L375-W400 HydrophobicContact CD1-CE3 4.45Å; L375-W400 HydrophobicContact CD1-CH2 4.3Å; L375-W400 HydrophobicContact CD1-CZ3 4.22Å; L375-P490 HydrophobicContact CB-CG 3.78Å; L375-P490 HydrophobicContact CD2-CB 3.36Å; L375-P490 HydrophobicContact CD2-CG 3.48Å; L375-P490 VanDerWaalsContact CD2-CG 3.48Å; L375-P490 HydrophobicContact CG-CG 4.23Å; L375-Y592 HydrophobicContact CD1-CD1 4.46Å; L375-Y592 HydrophobicContact CD1-CE1 3.99Å
376	R	96.6	Very high	94.8	Very high	105 Å²	105	43.4 Å²	43.4	40%	0.396	21%	0.214	S	C	.	.	H	α-helix	trans	-59.7	-47.5	174.7	-169.5	-156.6	66.6	67.7	6.1	110.9	R372 E373 S374 M378 R379 D380	R372-R376 WeakPolarHBondContact O-CB 3.19Å; R372-R376 PolarHBondContact O-N 3.16Å; E373-R376 VanDerWaalsContact CD-NE 3.31Å; E373-R376 WeakPolarHBondContact O-CB 3.41Å; E373-R376 PolarHBondContact O-N 3.45Å; E373-R376 IonicContact OE1-CZ 2.77Å; E373-R376 IonicContact OE1-NE 2.77Å; E373-R376 PolarHBondContact OE1-NE 2.66Å; E373-R376 VanDerWaalsContact OE1-NE 3.14Å; E373-R376 IonicContact OE1-NH2 3.04Å; E373-R376 PolarHBondContact OE1-NH2 2.91Å; E373-R376 WeakPolarHBondContact OE2-CD 3.27Å; E373-R376 IonicContact OE2-CZ 3.6Å; E373-R376 IonicContact OE2-NE 2.98Å; E373-R376 PolarHBondContact OE2-NE 2.86Å; E373-R376 IonicContact OE2-NH2 3.93Å; S374-R376 VanDerWaalsContact C-N 3.33Å; S374-R376 PolarHBondContact O-N 3.31Å; R376-M378 VanDerWaalsContact C-N 3.34Å; R376-M378 PolarHBondContact O-N 3.49Å; R376-R379 WeakPolarHBondContact O-CB 3.43Å; R376-R379 PolarHBondContact O-N 2.85Å; R376-D380 IonicContact CZ-OD2 3.24Å; R376-D380 IonicContact NH1-OD1 2.95Å; R376-D380 IonicContact NH1-OD2 2.64Å; R376-D380 PolarHBondContact NH1-OD2 2.87Å; R376-D380 IonicContact NH2-OD2 3.03Å; R376-D380 PolarHBondContact O-N 3.19Å
377	K	97.5	Very high	94.5	Very high	77 Å²	77	47.3 Å²	47.3	34%	0.335	24%	0.235	S	C	.	.	H	α-helix	trans	-61	-42.1	174.7	-70.5	175.6	176.2	-177.8	0	111.7	E373 S374 R379 D380 V381 T398	E373-K377 WeakPolarHBondContact O-CG 3.35Å; E373-K377 PolarHBondContact O-N 3.36Å; E373-K377 WeakPolarHBondContact OE1-CE 3.38Å; S374-K377 PolarHBondContact O-N 3.48Å; K377-R379 VanDerWaalsContact C-N 3.32Å; K377-R379 PolarHBondContact O-N 3.02Å; K377-D380 PolarHBondContact O-N 3.2Å; K377-D380 VanDerWaalsContact O-N 3.12Å; K377-V381 WeakPolarHBondContact O-CG2 3.38Å; K377-V381 PolarHBondContact O-N 3.4Å; K377-V381 VanDerWaalsContact O-N 3.14Å; K377-T398 HydrophobicContact CB-CG2 4.04Å
378	M	95.6	Very high	94.2	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-61.5	-39.4	177.8	-175.8	-119.6	-78.1	0	0	112.3	S374 L375 R376 D380 V381 I382 T398 W400 Y592	S374-M378 PolarHBondContact O-N 3.06Å; L375-M378 HydrophobicContact CD1-CE 3.28Å; L375-M378 HydrophobicContact CD1-SD 3.88Å; L375-M378 PolarHBondContact O-N 3.43Å; R376-M378 VanDerWaalsContact C-N 3.34Å; R376-M378 PolarHBondContact O-N 3.49Å; M378-D380 VanDerWaalsContact C-N 3.34Å; M378-D380 PolarHBondContact O-N 3.1Å; M378-V381 PolarHBondContact O-N 3.38Å; M378-I382 HydrophobicContact CG-CD1 3.64Å; M378-I382 HydrophobicContact CG-CG1 4.46Å; M378-I382 WeakPolarHBondContact O-CG1 3.5Å; M378-I382 PolarHBondContact O-N 3.28Å; M378-I382 VanDerWaalsContact O-N 3.12Å; M378-I382 HydrophobicContact SD-CD1 3.61Å; M378-T398 HydrophobicContact CB-CG2 4.05Å; M378-W400 HydrophobicContact CE-CD2 3.76Å; M378-W400 HydrophobicContact CE-CE3 4.42Å; M378-W400 HydrophobicContact CE-CG 3.77Å; M378-Y592 HydrophobicContact CE-CD1 3.41Å; M378-Y592 VanDerWaalsContact CE-CD1 3.41Å; M378-Y592 HydrophobicContact CE-CD2 3.82Å; M378-Y592 HydrophobicContact CE-CE1 3.3Å; M378-Y592 HydrophobicContact CE-CE2 3.71Å; M378-Y592 HydrophobicContact CE-CG 3.68Å; M378-Y592 VanDerWaalsContact CE-CZ 3.46Å; M378-Y592 HydrophobicContact SD-CD1 3.4Å; M378-Y592 WeakPolarHBondContact SD-CD1 3.4Å; M378-Y592 HydrophobicContact SD-CD2 4.1Å; M378-Y592 HydrophobicContact SD-CE1 3.96Å; M378-Y592 HydrophobicContact SD-CG 3.49Å
379	R	94.8	Very high	94	Very high	40 Å²	40	56.2 Å²	56.2	15%	0.151	29%	0.291	C	S	.	.	H	α-helix	trans	-57	-46.2	171.2	172.8	177.9	169.3	-107.7	-1.4	112	V167 I171 S173 L375 R376 K377 V381 I382 Y383	V167-R379 VanDerWaalsContact CG1-NH2 3.26Å; I171-R379 HydrophobicContact CD1-CB 4.13Å; I171-R379 HydrophobicContact CG2-CB 4.12Å; I171-R379 HydrophobicContact CG2-CG 4.17Å; S173-R379 PolarHBondContact OG-NH2 3.14Å; L375-R379 PolarHBondContact O-N 3.28Å; R376-R379 WeakPolarHBondContact O-CB 3.43Å; R376-R379 PolarHBondContact O-N 2.85Å; K377-R379 VanDerWaalsContact C-N 3.32Å; K377-R379 PolarHBondContact O-N 3.02Å; R379-V381 PolarHBondContact O-N 3.27Å; R379-I382 PolarHBondContact O-N 2.96Å; R379-Y383 PolarHBondContact O-N 2.92Å
380	D	94.2	Very high	93.9	Very high	86 Å²	86	60.3 Å²	60.3	46%	0.46	30%	0.303	S	S	.	.	H	α-helix	trans	-64.3	-29.3	-178.6	-64.2	-11.4	0	0	0	112.6	R376 K377 M378	R376-D380 IonicContact CZ-OD2 3.24Å; R376-D380 IonicContact NH1-OD1 2.95Å; R376-D380 IonicContact NH1-OD2 2.64Å; R376-D380 PolarHBondContact NH1-OD2 2.87Å; R376-D380 IonicContact NH2-OD2 3.03Å; R376-D380 PolarHBondContact O-N 3.19Å; K377-D380 PolarHBondContact O-N 3.2Å; K377-D380 VanDerWaalsContact O-N 3.12Å; M378-D380 VanDerWaalsContact C-N 3.34Å; M378-D380 PolarHBondContact O-N 3.1Å
381	V	94	Very high	93.6	Very high	26 Å²	26	60.3 Å²	60.3	16%	0.158	30%	0.298	C	S	.	.	H	α-helix	trans	-76.7	-35.2	176.8	177.1	0	0	0	0	112	K377 M378 R379 W391 A394 I395 T398	K377-V381 WeakPolarHBondContact O-CG2 3.38Å; K377-V381 PolarHBondContact O-N 3.4Å; K377-V381 VanDerWaalsContact O-N 3.14Å; M378-V381 PolarHBondContact O-N 3.38Å; R379-V381 PolarHBondContact O-N 3.27Å; V381-W391 HydrophobicContact CG1-CE3 4.22Å; V381-W391 HydrophobicContact CG1-CZ3 4.11Å; V381-A394 HydrophobicContact CG1-CB 3.8Å; V381-A394 HydrophobicContact CG2-CB 3.87Å; V381-I395 HydrophobicContact CB-CD1 4.37Å; V381-I395 HydrophobicContact CG1-CD1 3.66Å; V381-I395 HydrophobicContact CG1-CG1 4.09Å; V381-T398 HydrophobicContact CG2-CG2 4.08Å
382	I	91.8	Very high	93.4	Very high	4 Å²	4	67.8 Å²	67.8	2%	0.021	33%	0.332	C	S	.	.	H	α-helix	trans	-94.6	-31.5	-170.7	-65	174	0	0	0	112.7	M378 R379 W391 L587 Y592 A593	M378-I382 HydrophobicContact CG-CD1 3.64Å; M378-I382 HydrophobicContact CG-CG1 4.46Å; M378-I382 WeakPolarHBondContact O-CG1 3.5Å; M378-I382 PolarHBondContact O-N 3.28Å; M378-I382 VanDerWaalsContact O-N 3.12Å; M378-I382 HydrophobicContact SD-CD1 3.61Å; R379-I382 PolarHBondContact O-N 2.96Å; I382-W391 HydrophobicContact CG1-CH2 4.36Å; I382-W391 HydrophobicContact CG1-CZ3 4.35Å; I382-L587 HydrophobicContact CD1-CD2 4.11Å; I382-Y592 WeakPolarHBondContact CG2-O 3.46Å; I382-A593 HydrophobicContact CG2-CB 3.75Å
383	Y	90.3	Very high	93.3	Very high	23 Å²	23	66.7 Å²	66.7	9%	0.09	34%	0.337	C	S	.	.	S	Bend	trans	-132.5	134.7	-171.2	-165	-84.2	0	0	0	112.3	P110 F111 I171 R172 S173 R379 W595	P110-Y383 HydrophobicContact CG-CE2 4.24Å; P110-Y383 WeakPolarHBondContact CG-OH 3.16Å; F111-Y383 HydrophobicContact CE2-CE2 4.1Å; F111-Y383 HydrophobicContact CZ-CD2 4.17Å; F111-Y383 AromaticContact CZ-CE2 3.81Å; F111-Y383 HydrophobicContact CZ-CE2 3.81Å; I171-Y383 WeakPolarHBondContact O-CB 3.34Å; R172-Y383 HydrophobicContact CB-CD2 4.46Å; R172-Y383 HydrophobicContact CB-CE2 3.94Å; S173-Y383 PolarHBondContact O-OH 2.93Å; R379-Y383 PolarHBondContact O-N 2.92Å; Y383-W595 HydrophobicContact CE2-CB 4.44Å
384	P	84.9	Confident	93.3	Very high	51 Å²	51	64.2 Å²	64.2	33%	0.331	33%	0.329	S	S	.	.	S	Bend	cis	-87.4	-22.9	3.8	32.2	-33.9	0	0	0	114.6	P110 F111	P110-P384 HydrophobicContact CB-CB 3.53Å; P110-P384 HydrophobicContact CG-CB 4.22Å; F111-P384 VanDerWaalsContact CE1-O 3.27Å; F111-P384 WeakPolarHBondContact CE1-O 3.28Å
385	T	86.2	Confident	93.1	Very high	105 Å²	105	64.9 Å²	64.9	64%	0.644	33%	0.332	S	S	*	.			trans	-130.2	141	-172.2	50.9	0	0	0	0	110.2
386	I	87.8	Confident	93	Very high	29 Å²	29	68.6 Å²	68.6	15%	0.149	35%	0.352	C	S	.	.			trans	-100.1	131.2	-176.6	-63.9	171.3	0	0	0	109.3	E388 W391 M599	I386-E388 PolarHBondContact O-N 3.4Å; I386-W391 HydrophobicContact CD1-CZ3 4.28Å; I386-W391 HydrophobicContact CG2-CE3 3.58Å; I386-W391 HydrophobicContact CG2-CZ3 3.94Å; I386-M599 HydrophobicContact CD1-CE 4.4Å; I386-M599 HydrophobicContact CD1-CG 3.8Å; I386-M599 HydrophobicContact CD1-SD 3.04Å; I386-M599 WeakPolarHBondContact CD1-SD 3.5Å
387	D	90.8	Very high	93.1	Very high	84 Å²	84	69.5 Å²	69.5	45%	0.449	36%	0.361	S	S	.	.			trans	-85	94.6	168.1	-176.2	-9	0	0	0	109.5	A389 R390 W391	D387-A389 PolarHBondContact O-N 3.5Å; D387-A389 PolarHBondContact OD1-N 3.05Å; D387-A389 VanDerWaalsContact OD1-N 3.12Å; D387-R390 PolarHBondContact O-N 3.18Å; D387-R390 PolarHBondContact OD1-N 3.47Å; D387-R390 WeakPolarHBondContact OD2-CD 3.48Å; D387-W391 PolarHBondContact O-N 2.86Å
388	E	89.7	Confident	93.1	Very high	151 Å²	151	66 Å²	66	71%	0.706	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-35.5	-179.7	-62.9	-67.2	164.2	0	0	112.6	I386 R390	I386-E388 PolarHBondContact O-N 3.4Å; E388-R390 VanDerWaalsContact C-N 3.27Å; E388-R390 PolarHBondContact O-N 3.06Å
389	A	94.5	Very high	93.2	Very high	95 Å²	95	69.3 Å²	69.3	79%	0.785	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-26.7	-176.7	0	0	0	0	0	112.3	D387	D387-A389 PolarHBondContact O-N 3.5Å; D387-A389 PolarHBondContact OD1-N 3.05Å; D387-A389 VanDerWaalsContact OD1-N 3.12Å
390	R	94.5	Very high	93.4	Very high	167 Å²	167	67.4 Å²	67.4	63%	0.63	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.9	3	-177.9	-64.5	-175.6	179.2	172.9	0.5	113.8	D387 E388 H392 S393 A394	D387-R390 PolarHBondContact O-N 3.18Å; D387-R390 PolarHBondContact OD1-N 3.47Å; D387-R390 WeakPolarHBondContact OD2-CD 3.48Å; E388-R390 VanDerWaalsContact C-N 3.27Å; E388-R390 PolarHBondContact O-N 3.06Å; R390-H392 PolarHBondContact O-N 3.17Å; R390-S393 PolarHBondContact O-N 3.06Å; R390-S393 PolarHBondContact O-OG 3.08Å; R390-A394 WeakPolarHBondContact O-CB 3.38Å; R390-A394 PolarHBondContact O-N 2.67Å
391	W	93	Very high	93.6	Very high	46 Å²	46	65.1 Å²	65.1	17%	0.174	34%	0.341	C	S	.	.	H	α-helix	trans	-41.8	-59.5	-173.3	172.4	-110.7	0	0	0	113.8	V381 I382 I386 D387 S393 A394 I395 L587 M599	V381-W391 HydrophobicContact CG1-CE3 4.22Å; V381-W391 HydrophobicContact CG1-CZ3 4.11Å; I382-W391 HydrophobicContact CG1-CH2 4.36Å; I382-W391 HydrophobicContact CG1-CZ3 4.35Å; I386-W391 HydrophobicContact CD1-CZ3 4.28Å; I386-W391 HydrophobicContact CG2-CE3 3.58Å; I386-W391 HydrophobicContact CG2-CZ3 3.94Å; D387-W391 PolarHBondContact O-N 2.86Å; W391-S393 PolarHBondContact O-N 2.75Å; W391-A394 PolarHBondContact O-N 3.15Å; W391-I395 HydrophobicContact CD2-CG1 4.01Å; W391-I395 HydrophobicContact CE3-CD1 4.41Å; W391-I395 HydrophobicContact CE3-CG1 4.05Å; W391-I395 HydrophobicContact CH2-CD1 3.8Å; W391-I395 HydrophobicContact CH2-CG1 4.01Å; W391-I395 HydrophobicContact CZ2-CD1 4.16Å; W391-I395 HydrophobicContact CZ2-CG1 3.93Å; W391-I395 HydrophobicContact CZ3-CD1 3.93Å; W391-I395 HydrophobicContact CZ3-CG1 4.06Å; W391-I395 WeakPolarHBondContact O-CG1 3.22Å; W391-I395 PolarHBondContact O-N 2.94Å; W391-L587 HydrophobicContact CH2-CD2 3.47Å; W391-L587 VanDerWaalsContact CH2-CD2 3.47Å; W391-L587 HydrophobicContact CZ2-CD2 3.51Å; W391-M599 HydrophobicContact CH2-CE 3.82Å; W391-M599 HydrophobicContact CH2-SD 4.35Å; W391-M599 HydrophobicContact CZ2-CE 4.02Å
392	H	93.9	Very high	93.7	Very high	157 Å²	157	66 Å²	66	73%	0.727	35%	0.345	S	S	*	.	H	α-helix	trans	-62	-45.2	-177.1	-66.2	-63.8	0	0	0	112.6	R390 A394 D396	R390-H392 PolarHBondContact O-N 3.17Å; H392-A394 VanDerWaalsContact C-N 3.35Å; H392-A394 PolarHBondContact O-N 3.08Å; H392-D396 WeakPolarHBondContact O-CB 3.27Å; H392-D396 PolarHBondContact O-N 2.82Å
393	S	96.1	Very high	94.1	Very high	56 Å²	56	67.9 Å²	67.9	39%	0.392	35%	0.352	S	S	.	.	H	α-helix	trans	-67.1	-35.3	178.5	61.1	0	0	0	0	113	R390 W391 Q397	R390-S393 PolarHBondContact O-N 3.06Å; R390-S393 PolarHBondContact O-OG 3.08Å; W391-S393 PolarHBondContact O-N 2.75Å; S393-Q397 WeakPolarHBondContact O-CG 3.48Å; S393-Q397 PolarHBondContact O-N 2.98Å; S393-Q397 VanDerWaalsContact O-N 3.1Å
394	A	96.3	Very high	94.5	Very high	20 Å²	20	66.8 Å²	66.8	17%	0.165	35%	0.348	C	S	.	.	H	α-helix	trans	-71.1	-43	-180	0	0	0	0	0	110.7	V381 R390 W391 H392 Q397 T398	V381-A394 HydrophobicContact CG1-CB 3.8Å; V381-A394 HydrophobicContact CG2-CB 3.87Å; R390-A394 WeakPolarHBondContact O-CB 3.38Å; R390-A394 PolarHBondContact O-N 2.67Å; W391-A394 PolarHBondContact O-N 3.15Å; H392-A394 VanDerWaalsContact C-N 3.35Å; H392-A394 PolarHBondContact O-N 3.08Å; A394-Q397 PolarHBondContact O-N 2.96Å; A394-T398 WeakPolarHBondContact O-CG2 3.47Å; A394-T398 PolarHBondContact O-N 3.44Å
395	I	95.5	Very high	95.1	Very high	18 Å²	18	67.9 Å²	67.9	9%	0.092	35%	0.346	C	S	.	.	H	α-helix	trans	-62.9	-44.7	173.7	-68.2	-64.6	0	0	0	111	V381 W391 Q397 T398 L401 L587	V381-I395 HydrophobicContact CB-CD1 4.37Å; V381-I395 HydrophobicContact CG1-CD1 3.66Å; V381-I395 HydrophobicContact CG1-CG1 4.09Å; W391-I395 HydrophobicContact CD2-CG1 4.01Å; W391-I395 HydrophobicContact CE3-CD1 4.41Å; W391-I395 HydrophobicContact CE3-CG1 4.05Å; W391-I395 HydrophobicContact CH2-CD1 3.8Å; W391-I395 HydrophobicContact CH2-CG1 4.01Å; W391-I395 HydrophobicContact CZ2-CD1 4.16Å; W391-I395 HydrophobicContact CZ2-CG1 3.93Å; W391-I395 HydrophobicContact CZ3-CD1 3.93Å; W391-I395 HydrophobicContact CZ3-CG1 4.06Å; W391-I395 WeakPolarHBondContact O-CG1 3.22Å; W391-I395 PolarHBondContact O-N 2.94Å; I395-Q397 VanDerWaalsContact C-N 3.32Å; I395-Q397 PolarHBondContact O-N 3.33Å; I395-T398 WeakPolarHBondContact O-CB 3.27Å; I395-T398 WeakPolarHBondContact O-CG2 3.5Å; I395-T398 PolarHBondContact O-N 3.28Å; I395-T398 PolarHBondContact O-OG1 3.01Å; I395-L401 HydrophobicContact CG2-CD1 4.34Å; I395-L587 HydrophobicContact CD1-CD2 3.89Å
396	D	95.9	Very high	95.7	Very high	100 Å²	100	64.9 Å²	64.9	54%	0.535	33%	0.325	S	S	.	.	H	α-helix	trans	-57	-43.9	177.2	-172.6	65.8	0	0	0	112	H392 T398 H399	H392-D396 WeakPolarHBondContact O-CB 3.27Å; H392-D396 PolarHBondContact O-N 2.82Å; D396-T398 PolarHBondContact O-N 3.47Å; D396-T398 VanDerWaalsContact O-N 3.11Å; D396-H399 PolarHBondContact O-N 3.42Å
397	Q	97.5	Very high	96.2	Very high	123 Å²	123	63.5 Å²	63.5	58%	0.575	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-12.9	177.7	-72.3	169.4	19.9	0	0	114.9	S393 A394 I395 H399	S393-Q397 WeakPolarHBondContact O-CG 3.48Å; S393-Q397 PolarHBondContact O-N 2.98Å; S393-Q397 VanDerWaalsContact O-N 3.1Å; A394-Q397 PolarHBondContact O-N 2.96Å; I395-Q397 VanDerWaalsContact C-N 3.32Å; I395-Q397 PolarHBondContact O-N 3.33Å; Q397-H399 VanDerWaalsContact C-N 3.3Å
398	T	97.9	Very high	96.6	Very high	3 Å²	3	59.5 Å²	59.5	2%	0.018	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-25.2	170.7	74	0	0	0	0	111.9	S374 K377 M378 V381 A394 I395 D396 W400	S374-T398 WeakPolarHBondContact CB-O 3.24Å; S374-T398 PolarHBondContact OG-O 3.06Å; K377-T398 HydrophobicContact CB-CG2 4.04Å; M378-T398 HydrophobicContact CB-CG2 4.05Å; V381-T398 HydrophobicContact CG2-CG2 4.08Å; A394-T398 WeakPolarHBondContact O-CG2 3.47Å; A394-T398 PolarHBondContact O-N 3.44Å; I395-T398 WeakPolarHBondContact O-CB 3.27Å; I395-T398 WeakPolarHBondContact O-CG2 3.5Å; I395-T398 PolarHBondContact O-N 3.28Å; I395-T398 PolarHBondContact O-OG1 3.01Å; D396-T398 PolarHBondContact O-N 3.47Å; D396-T398 VanDerWaalsContact O-N 3.11Å; T398-W400 PolarHBondContact O-N 3.01Å; T398-W400 VanDerWaalsContact O-N 3.13Å; T398-W400 WeakPolarHBondContact OG1-CB 3.36Å; T398-W400 PolarHBondContact OG1-N 3.47Å; T398-W400 VanDerWaalsContact OG1-N 3.13Å
399	H	98.3	Very high	97	Very high	71 Å²	71	53.6 Å²	53.6	33%	0.329	27%	0.272	S	S	.	.			trans	55.9	12.7	-168.8	-58.5	-66	0	0	0	115.2	D396 Q397 L401 D402 Y403	D396-H399 PolarHBondContact O-N 3.42Å; Q397-H399 VanDerWaalsContact C-N 3.3Å; H399-L401 PolarHBondContact O-N 3.32Å; H399-D402 HydrophobicContact CB-CB 4.4Å; H399-D402 IonicContact ND1-OD2 3.38Å; H399-D402 PolarHBondContact ND1-OD2 3.42Å; H399-D402 WeakPolarHBondContact O-CB 3.34Å; H399-D402 PolarHBondContact O-N 2.81Å; H399-Y403 HydrophobicContact CB-CD2 4.09Å; H399-Y403 HydrophobicContact CB-CE1 4.12Å; H399-Y403 HydrophobicContact CB-CE2 3.53Å; H399-Y403 WeakPolarHBondContact O-CD2 3.46Å; H399-Y403 VanDerWaalsContact O-CG 3.26Å; H399-Y403 PolarHBondContact O-N 3.43Å
400	W	98.2	Very high	97.2	Very high	1 Å²	1	49.1 Å²	49.1	0%	0.004	24%	0.236	C	C	.	.	H	α-helix	trans	-58.8	-51.8	-176.6	-175.9	-102.2	0	0	0	111.4	I371 S374 L375 M378 T398 D402 Y403 L404 P490 Q494 D497 Y592	I371-W400 HydrophobicContact CG2-CH2 4.41Å; I371-W400 HydrophobicContact CG2-CZ3 3.93Å; S374-W400 WeakPolarHBondContact OG-CA 3.46Å; S374-W400 PolarHBondContact OG-N 3.13Å; L375-W400 HydrophobicContact CB-CE3 4.25Å; L375-W400 HydrophobicContact CB-CZ3 3.84Å; L375-W400 HydrophobicContact CD1-CE3 4.45Å; L375-W400 HydrophobicContact CD1-CH2 4.3Å; L375-W400 HydrophobicContact CD1-CZ3 4.22Å; M378-W400 HydrophobicContact CE-CD2 3.76Å; M378-W400 HydrophobicContact CE-CE3 4.42Å; M378-W400 HydrophobicContact CE-CG 3.77Å; T398-W400 PolarHBondContact O-N 3.01Å; T398-W400 VanDerWaalsContact O-N 3.13Å; T398-W400 WeakPolarHBondContact OG1-CB 3.36Å; T398-W400 PolarHBondContact OG1-N 3.47Å; T398-W400 VanDerWaalsContact OG1-N 3.13Å; W400-D402 VanDerWaalsContact C-N 3.3Å; W400-D402 PolarHBondContact O-N 3.35Å; W400-Y403 PolarHBondContact O-N 3.49Å; W400-Y403 VanDerWaalsContact O-N 3.14Å; W400-L404 HydrophobicContact CZ2-CD2 4.46Å; W400-L404 WeakPolarHBondContact O-CG 3.36Å; W400-L404 PolarHBondContact O-N 2.86Å; W400-P490 HydrophobicContact CH2-CG 4.16Å; W400-P490 HydrophobicContact CZ3-CG 4.14Å; W400-Q494 HydrophobicContact CH2-CB 3.93Å; W400-Q494 HydrophobicContact CH2-CG 4.3Å; W400-Q494 HydrophobicContact CZ2-CB 4.19Å; W400-Q494 HydrophobicContact CZ2-CG 4.4Å; W400-D497 PolarHBondContact NE1-OD2 3.12Å; W400-Y592 WeakPolarHBondContact CZ2-OH 3.07Å; W400-Y592 AromaticContact NE1-CE2 3.81Å; W400-Y592 AromaticContact NE1-CZ 3.69Å; W400-Y592 PolarHBondContact NE1-OH 3.01Å
401	L	97.9	Very high	97.4	Very high	37 Å²	37	41.2 Å²	41.2	19%	0.194	21%	0.206	C	C	.	.	H	α-helix	trans	-64.1	-33.3	178.7	-61.4	-178.3	0	0	0	112.6	I395 H399 L404 R405	I395-L401 HydrophobicContact CG2-CD1 4.34Å; H399-L401 PolarHBondContact O-N 3.32Å; L401-L404 HydrophobicContact CD2-CD1 3.91Å; L401-L404 PolarHBondContact O-N 2.86Å; L401-R405 WeakPolarHBondContact O-CB 3.37Å; L401-R405 PolarHBondContact O-N 3.31Å
402	D	97.9	Very high	97.7	Very high	45 Å²	45	40.2 Å²	40.2	24%	0.241	21%	0.205	C	C	.	.	H	α-helix	trans	-66	-39	174.3	-78.6	-36	0	0	0	112	H399 W400 R405 L406	H399-D402 HydrophobicContact CB-CB 4.4Å; H399-D402 IonicContact ND1-OD2 3.38Å; H399-D402 PolarHBondContact ND1-OD2 3.42Å; H399-D402 WeakPolarHBondContact O-CB 3.34Å; H399-D402 PolarHBondContact O-N 2.81Å; W400-D402 VanDerWaalsContact C-N 3.3Å; W400-D402 PolarHBondContact O-N 3.35Å; D402-R405 WeakPolarHBondContact O-CB 3.3Å; D402-R405 PolarHBondContact O-N 3.29Å; D402-R405 IonicContact OD1-NE 2.87Å; D402-L406 WeakPolarHBondContact O-CG 3.31Å; D402-L406 PolarHBondContact O-N 2.99Å
403	Y	98.4	Very high	97.9	Very high	43 Å²	43	37.1 Å²	37.1	17%	0.169	19%	0.189	C	C	.	.	H	α-helix	trans	-72.8	-34	177.3	-59.7	-34	0	0	0	112.2	P366 V370 I371 H399 W400 R405 L406 L407 Q494	P366-Y403 HydrophobicContact CG-CD1 3.65Å; P366-Y403 HydrophobicContact CG-CE1 3.57Å; P366-Y403 HydrophobicContact CG-CG 4.37Å; V370-Y403 HydrophobicContact CG1-CE1 4.35Å; V370-Y403 HydrophobicContact CG1-CE2 3.71Å; V370-Y403 WeakPolarHBondContact CG1-OH 3.3Å; I371-Y403 HydrophobicContact CD1-CD2 3.76Å; I371-Y403 HydrophobicContact CD1-CE2 4.5Å; I371-Y403 HydrophobicContact CD1-CG 3.85Å; H399-Y403 HydrophobicContact CB-CD2 4.09Å; H399-Y403 HydrophobicContact CB-CE1 4.12Å; H399-Y403 HydrophobicContact CB-CE2 3.53Å; H399-Y403 WeakPolarHBondContact O-CD2 3.46Å; H399-Y403 VanDerWaalsContact O-CG 3.26Å; H399-Y403 PolarHBondContact O-N 3.43Å; W400-Y403 PolarHBondContact O-N 3.49Å; W400-Y403 VanDerWaalsContact O-N 3.14Å; Y403-R405 VanDerWaalsContact C-N 3.33Å; Y403-L406 HydrophobicContact CD1-CD1 4.28Å; Y403-L407 WeakPolarHBondContact O-CB 3.41Å; Y403-L407 PolarHBondContact O-N 3.27Å; Y403-L407 VanDerWaalsContact O-N 3.09Å; Y403-Q494 PolarHBondContact O-NE2 2.66Å
404	L	98.6	Very high	98	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61	-44	167.6	-61.9	177.5	0	0	0	111.2	W400 L401 L407 L408 Q494 D497 Q501 L585	W400-L404 HydrophobicContact CZ2-CD2 4.46Å; W400-L404 WeakPolarHBondContact O-CG 3.36Å; W400-L404 PolarHBondContact O-N 2.86Å; L401-L404 HydrophobicContact CD2-CD1 3.91Å; L401-L404 PolarHBondContact O-N 2.86Å; L404-L407 PolarHBondContact O-N 3.27Å; L404-L408 WeakPolarHBondContact O-CB 3.48Å; L404-L408 WeakPolarHBondContact O-CG 3.22Å; L404-L408 PolarHBondContact O-N 2.91Å; L404-Q494 HydrophobicContact CD2-CG 3.59Å; L404-D497 HydrophobicContact CD1-CB 4.37Å; L404-D497 VanDerWaalsContact CD1-CG 3.43Å; L404-D497 WeakPolarHBondContact CD1-OD1 3.42Å; L404-D497 WeakPolarHBondContact CD1-OD2 3.46Å; L404-D497 HydrophobicContact CD2-CB 3.9Å; L404-Q501 HydrophobicContact CD1-CG 4.49Å; L404-L585 HydrophobicContact CB-CD1 4.5Å
405	R	98.3	Very high	98.2	Very high	75 Å²	75	33.5 Å²	33.5	28%	0.283	16%	0.163	S	C	.	.	H	α-helix	trans	-59.7	-46.8	177.6	-174	-173.9	59.8	70.4	3.8	112.1	L401 D402 Y403 L407 S409 L580 L585	L401-R405 WeakPolarHBondContact O-CB 3.37Å; L401-R405 PolarHBondContact O-N 3.31Å; D402-R405 WeakPolarHBondContact O-CB 3.3Å; D402-R405 PolarHBondContact O-N 3.29Å; D402-R405 IonicContact OD1-NE 2.87Å; Y403-R405 VanDerWaalsContact C-N 3.33Å; R405-L407 VanDerWaalsContact C-N 3.33Å; R405-S409 WeakPolarHBondContact O-CB 3.42Å; R405-S409 PolarHBondContact O-N 3.2Å; R405-L580 WeakPolarHBondContact CD-O 3.24Å; R405-L580 WeakPolarHBondContact CG-O 3.31Å; R405-L585 HydrophobicContact CB-CD1 3.61Å; R405-L585 HydrophobicContact CG-CD1 4.23Å
406	L	98.1	Very high	98.3	Very high	41 Å²	41	36.1 Å²	36.1	22%	0.215	18%	0.177	C	C	.	.	H	α-helix	trans	-61.8	-42.8	177.8	-74.1	176.6	0	0	0	111.3	D402 Y403 S409 G410	D402-L406 WeakPolarHBondContact O-CG 3.31Å; D402-L406 PolarHBondContact O-N 2.99Å; Y403-L406 HydrophobicContact CD1-CD1 4.28Å; L406-S409 WeakPolarHBondContact O-CB 3.37Å; L406-S409 PolarHBondContact O-N 3.47Å; L406-G410 PolarHBondContact O-N 2.97Å
407	L	98.6	Very high	98.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-65.2	-48.3	178.9	179.1	58.3	0	0	0	112.2	I365 Y403 L404 R405 S409 G410 A411 Q438 L439 L442 Q494	I365-L407 HydrophobicContact CD1-CD1 3.96Å; Y403-L407 WeakPolarHBondContact O-CB 3.41Å; Y403-L407 PolarHBondContact O-N 3.27Å; Y403-L407 VanDerWaalsContact O-N 3.09Å; L404-L407 PolarHBondContact O-N 3.27Å; R405-L407 VanDerWaalsContact C-N 3.33Å; L407-S409 VanDerWaalsContact C-N 3.29Å; L407-S409 PolarHBondContact O-N 3.14Å; L407-G410 PolarHBondContact O-N 3.18Å; L407-A411 PolarHBondContact O-N 3.05Å; L407-Q438 HydrophobicContact CD1-CB 3.64Å; L407-Q438 HydrophobicContact CD2-CB 3.97Å; L407-Q438 HydrophobicContact CD2-CG 4.23Å; L407-Q438 HydrophobicContact CG-CB 4.38Å; L407-L439 HydrophobicContact CD1-CD2 3.89Å; L407-L439 HydrophobicContact CD1-CG 4.1Å; L407-L442 HydrophobicContact CD1-CD1 4.22Å; L407-L442 HydrophobicContact CD2-CD1 4.01Å; L407-L442 HydrophobicContact CG-CD1 3.7Å; L407-Q494 HydrophobicContact CD2-CG 4.05Å
408	L	98.8	Very high	98.5	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.6	-38	174.7	-75.5	168.5	0	0	0	111.7	L404 A411 V412 L442 M446 C498 Q501 M502 P578 L580 L585	L404-L408 WeakPolarHBondContact O-CB 3.48Å; L404-L408 WeakPolarHBondContact O-CG 3.22Å; L404-L408 PolarHBondContact O-N 2.91Å; L408-A411 PolarHBondContact O-N 3.36Å; L408-V412 WeakPolarHBondContact O-CG2 3.35Å; L408-V412 PolarHBondContact O-N 2.95Å; L408-L442 HydrophobicContact CD2-CD1 4.5Å; L408-L442 HydrophobicContact CD2-CD2 4.43Å; L408-M446 HydrophobicContact CD2-CE 4.14Å; L408-C498 HydrophobicContact CD2-CB 3.85Å; L408-C498 HydrophobicContact CG-CB 4.06Å; L408-Q501 HydrophobicContact CD1-CB 4.16Å; L408-Q501 HydrophobicContact CD1-CG 4.39Å; L408-M502 HydrophobicContact CD2-CG 4.3Å; L408-M502 HydrophobicContact CD2-SD 4.48Å; L408-P578 HydrophobicContact CD2-CG 4.36Å; L408-L580 HydrophobicContact CB-CD2 3.5Å; L408-L585 HydrophobicContact CD1-CD2 3.88Å
409	S	98.6	Very high	98.5	Very high	27 Å²	27	30 Å²	30	19%	0.189	14%	0.144	C	C	.	.	H	α-helix	trans	-62.3	-42.4	175.4	-177.4	0	0	0	0	112.3	R405 L406 L407 V412 K413	R405-S409 WeakPolarHBondContact O-CB 3.42Å; R405-S409 PolarHBondContact O-N 3.2Å; L406-S409 WeakPolarHBondContact O-CB 3.37Å; L406-S409 PolarHBondContact O-N 3.47Å; L407-S409 VanDerWaalsContact C-N 3.29Å; L407-S409 PolarHBondContact O-N 3.14Å; S409-V412 PolarHBondContact O-N 3.09Å; S409-K413 WeakPolarHBondContact O-CG 3.22Å; S409-K413 PolarHBondContact O-N 2.98Å
410	G	98.8	Very high	98.4	Very high	2 Å²	2	30.3 Å²	30.3	2%	0.021	15%	0.154	C	C	.	.	H	α-helix	trans	-60.1	-46.1	173	0	0	0	0	0	112.6	L406 L407 K413 I414	L406-G410 PolarHBondContact O-N 2.97Å; L407-G410 PolarHBondContact O-N 3.18Å; G410-K413 PolarHBondContact O-N 3.03Å; G410-I414 WeakPolarHBondContact O-CG1 3.21Å; G410-I414 PolarHBondContact O-N 3.15Å; G410-I414 VanDerWaalsContact O-N 3.1Å
411	A	98.9	Very high	98.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-64.7	-40.4	177.9	0	0	0	0	0	112.7	L407 L408 K413 I414 A415 L439 L442 S443 M446	L407-A411 PolarHBondContact O-N 3.05Å; L408-A411 PolarHBondContact O-N 3.36Å; A411-K413 PolarHBondContact O-N 3.3Å; A411-I414 PolarHBondContact O-N 3.36Å; A411-A415 WeakPolarHBondContact O-CB 3.33Å; A411-A415 PolarHBondContact O-N 3.06Å; A411-L439 HydrophobicContact CB-CD2 4.45Å; A411-L442 HydrophobicContact CB-CB 3.49Å; A411-L442 VanDerWaalsContact CB-CB 3.49Å; A411-L442 HydrophobicContact CB-CD1 4.33Å; A411-S443 PolarHBondContact O-OG 3.24Å; A411-M446 HydrophobicContact CB-CE 3.69Å; A411-M446 HydrophobicContact CB-SD 4.19Å
412	V	98.8	Very high	98.4	Very high	25 Å²	25	33 Å²	33	15%	0.152	18%	0.175	C	C	.	.	H	α-helix	trans	-61.8	-43	174.3	164.9	0	0	0	0	111.3	L408 S409 I414 A415 D416 M446 F577 P578 L580	L408-V412 WeakPolarHBondContact O-CG2 3.35Å; L408-V412 PolarHBondContact O-N 2.95Å; S409-V412 PolarHBondContact O-N 3.09Å; V412-I414 VanDerWaalsContact C-N 3.3Å; V412-I414 PolarHBondContact O-N 3.04Å; V412-A415 PolarHBondContact O-N 2.98Å; V412-D416 WeakPolarHBondContact O-CB 3.49Å; V412-D416 PolarHBondContact O-N 2.7Å; V412-M446 HydrophobicContact CG2-CE 3.91Å; V412-M446 HydrophobicContact CG2-SD 3.86Å; V412-F577 HydrophobicContact CG1-CD1 4.01Å; V412-F577 HydrophobicContact CG2-CD1 4.48Å; V412-P578 HydrophobicContact CG2-CG 3.9Å; V412-L580 HydrophobicContact CB-CD1 4.14Å; V412-L580 HydrophobicContact CG1-CD1 4.28Å; V412-L580 HydrophobicContact CG2-CD1 4.16Å; V412-L580 HydrophobicContact CG2-CD2 4.13Å; V412-L580 HydrophobicContact CG2-CG 4.45Å
413	K	98.8	Very high	98.4	Very high	92 Å²	92	31.6 Å²	31.6	40%	0.4	17%	0.168	S	C	.	.	H	α-helix	trans	-61.1	-40.3	176.3	-73.5	175.5	-179.9	-175.6	0	112.2	F331 L363 S409 G410 A411 K417	F331-K413 HydrophobicContact CE1-CB 3.92Å; F331-K413 HydrophobicContact CZ-CB 4.21Å; L363-K413 HydrophobicContact CD2-CD 3.91Å; S409-K413 WeakPolarHBondContact O-CG 3.22Å; S409-K413 PolarHBondContact O-N 2.98Å; G410-K413 PolarHBondContact O-N 3.03Å; A411-K413 PolarHBondContact O-N 3.3Å; K413-K417 VanDerWaalsContact O-CB 3.3Å; K413-K417 WeakPolarHBondContact O-CB 3.45Å; K413-K417 PolarHBondContact O-N 2.72Å
414	I	98.9	Very high	98.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64.6	-52.4	176	-71.7	162.3	0	0	0	110	F331 L363 G410 A411 V412 D416 K417 V418 V425 V427 L439 S443	F331-I414 HydrophobicContact CB-CD1 4.39Å; F331-I414 HydrophobicContact CB-CG1 4.23Å; F331-I414 HydrophobicContact CD1-CG1 4.35Å; F331-I414 HydrophobicContact CD2-CG1 3.53Å; F331-I414 HydrophobicContact CE2-CB 4.49Å; F331-I414 HydrophobicContact CE2-CG1 3.86Å; F331-I414 HydrophobicContact CG-CD1 4.45Å; F331-I414 HydrophobicContact CG-CG1 3.78Å; F331-I414 HydrophobicContact CZ-CG1 4.38Å; L363-I414 HydrophobicContact CD1-CD1 4.46Å; G410-I414 WeakPolarHBondContact O-CG1 3.21Å; G410-I414 PolarHBondContact O-N 3.15Å; G410-I414 VanDerWaalsContact O-N 3.1Å; A411-I414 PolarHBondContact O-N 3.36Å; V412-I414 VanDerWaalsContact C-N 3.3Å; V412-I414 PolarHBondContact O-N 3.04Å; I414-D416 PolarHBondContact O-N 3.28Å; I414-K417 PolarHBondContact O-N 3.05Å; I414-V418 WeakPolarHBondContact O-CG2 3.25Å; I414-V418 PolarHBondContact O-N 3.48Å; I414-V418 VanDerWaalsContact O-N 3.15Å; I414-V425 HydrophobicContact CG2-CG2 4.04Å; I414-V427 HydrophobicContact CD1-CG1 4.03Å; I414-V427 HydrophobicContact CD1-CG2 3.69Å; I414-V427 HydrophobicContact CG1-CG2 4.16Å; I414-V427 HydrophobicContact CG2-CG2 4.39Å; I414-L439 HydrophobicContact CD1-CB 3.81Å; I414-L439 HydrophobicContact CD1-CD1 4.32Å; I414-L439 HydrophobicContact CD1-CD2 4.06Å; I414-L439 HydrophobicContact CD1-CG 4.29Å; I414-S443 WeakPolarHBondContact CB-OG 3.48Å; I414-S443 WeakPolarHBondContact CG2-OG 3.21Å
415	A	98.8	Very high	98.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-60.4	-43	-179.9	0	0	0	0	0	112.2	A411 V412 V418 E419 M446 L447 F577	A411-A415 WeakPolarHBondContact O-CB 3.33Å; A411-A415 PolarHBondContact O-N 3.06Å; V412-A415 PolarHBondContact O-N 2.98Å; A415-V418 PolarHBondContact O-N 3.21Å; A415-E419 VanDerWaalsContact O-CB 3.25Å; A415-E419 WeakPolarHBondContact O-CB 3.47Å; A415-E419 PolarHBondContact O-N 2.7Å; A415-M446 HydrophobicContact CB-CB 4.03Å; A415-M446 HydrophobicContact CB-SD 4.07Å; A415-L447 HydrophobicContact CB-CD1 4.39Å; A415-L447 HydrophobicContact CB-CD2 4.06Å; A415-L447 HydrophobicContact CB-CG 4.02Å; A415-F577 HydrophobicContact CB-CE1 4.04Å
416	D	98.6	Very high	98.5	Very high	74 Å²	74	26 Å²	26	40%	0.396	15%	0.147	S	C	.	.	H	α-helix	trans	-66.3	-39.3	178.3	-178.6	61.4	0	0	0	112.4	V412 I414 V418 S420 G421 F577	V412-D416 WeakPolarHBondContact O-CB 3.49Å; V412-D416 PolarHBondContact O-N 2.7Å; I414-D416 PolarHBondContact O-N 3.28Å; D416-V418 VanDerWaalsContact C-N 3.27Å; D416-V418 PolarHBondContact O-N 3.47Å; D416-S420 WeakPolarHBondContact O-CA 3.3Å; D416-S420 VanDerWaalsContact O-CB 3.28Å; D416-S420 WeakPolarHBondContact O-CB 3.28Å; D416-S420 PolarHBondContact O-N 3.12Å; D416-S420 VanDerWaalsContact OD1-CB 3.25Å; D416-S420 WeakPolarHBondContact OD1-CB 3.13Å; D416-S420 PolarHBondContact OD1-OG 3.37Å; D416-G421 PolarHBondContact O-N 3.22Å; D416-F577 HydrophobicContact CB-CE1 3.99Å; D416-F577 HydrophobicContact CB-CZ 4.27Å
417	K	98.6	Very high	98.5	Very high	51 Å²	51	24.1 Å²	24.1	22%	0.222	14%	0.137	C	C	.	.	H	α-helix	trans	-63.1	-36.5	176	-173.7	64.2	61.9	146.2	0	111.8	F331 E359 K413 I414 G421 K422 T423 V425	F331-K417 HydrophobicContact CE2-CB 4.21Å; F331-K417 HydrophobicContact CE2-CG 4.32Å; F331-K417 HydrophobicContact CZ-CB 4.21Å; F331-K417 HydrophobicContact CZ-CG 4.48Å; E359-K417 IonicContact OE2-NZ 3.14Å; E359-K417 PolarHBondContact OE2-NZ 3.43Å; K413-K417 VanDerWaalsContact O-CB 3.3Å; K413-K417 WeakPolarHBondContact O-CB 3.45Å; K413-K417 PolarHBondContact O-N 2.72Å; I414-K417 PolarHBondContact O-N 3.05Å; K417-G421 CarbonylContact O-C 3.53Å; K417-G421 WeakPolarHBondContact O-CA 3.31Å; K417-G421 PolarHBondContact O-N 3.41Å; K417-K422 PolarHBondContact O-N 3.13Å; K417-T423 HydrophobicContact CD-CG2 4.08Å; K417-T423 HydrophobicContact CG-CG2 4.2Å; K417-T423 PolarHBondContact O-N 2.92Å; K417-V425 HydrophobicContact CB-CG1 4Å; K417-V425 HydrophobicContact CG-CG1 3.61Å
418	V	98.6	Very high	98.5	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-77.6	-47.6	177.9	174.8	0	0	0	0	111.8	W284 H286 A291 V293 I414 A415 D416 K422 V425 L447	W284-V418 HydrophobicContact CE3-CG1 4.36Å; W284-V418 HydrophobicContact CZ3-CG1 3.67Å; H286-V418 HydrophobicContact CB-CG1 4.43Å; A291-V418 HydrophobicContact CB-CG1 4.02Å; V293-V418 HydrophobicContact CG2-CG2 3.88Å; I414-V418 WeakPolarHBondContact O-CG2 3.25Å; I414-V418 PolarHBondContact O-N 3.48Å; I414-V418 VanDerWaalsContact O-N 3.15Å; A415-V418 PolarHBondContact O-N 3.21Å; D416-V418 VanDerWaalsContact C-N 3.27Å; D416-V418 PolarHBondContact O-N 3.47Å; V418-K422 VanDerWaalsContact O-CA 3.28Å; V418-K422 WeakPolarHBondContact O-CA 3.25Å; V418-K422 PolarHBondContact O-N 2.88Å; V418-V425 HydrophobicContact CG2-CG1 3.91Å; V418-V425 HydrophobicContact CG2-CG2 3.76Å; V418-L447 HydrophobicContact CB-CD1 4.31Å; V418-L447 HydrophobicContact CG1-CD1 4.11Å; V418-L447 HydrophobicContact CG1-CD2 4.47Å
419	E	97.8	Very high	98.4	Very high	47 Å²	47	24.2 Å²	24.2	22%	0.22	14%	0.138	C	C	.	.	H	α-helix	trans	-78.4	-54.4	-175.7	-179.3	54.4	-129.9	0	0	112.6	H286 A415 K422 L447 V575 F577	H286-E419 IonicContact CD2-OE2 3.2Å; H286-E419 IonicContact NE2-OE1 2.81Å; H286-E419 IonicContact NE2-OE2 3.7Å; H286-E419 PolarHBondContact NE2-OE2 3.19Å; H286-E419 VanDerWaalsContact NE2-OE2 3.11Å; A415-E419 VanDerWaalsContact O-CB 3.25Å; A415-E419 WeakPolarHBondContact O-CB 3.47Å; A415-E419 PolarHBondContact O-N 2.7Å; E419-K422 WeakPolarHBondContact O-CD 3.36Å; E419-K422 WeakPolarHBondContact O-CE 3.49Å; E419-K422 PolarHBondContact O-NZ 3.25Å; E419-K422 IonicContact OE1-NZ 3.64Å; E419-K422 PolarHBondContact OE1-NZ 2.77Å; E419-L447 HydrophobicContact CB-CD2 3.89Å; E419-V575 HydrophobicContact CG-CB 4.35Å; E419-V575 HydrophobicContact CG-CG1 4.32Å; E419-V575 HydrophobicContact CG-CG2 3.81Å; E419-V575 WeakPolarHBondContact OE2-CG2 3.37Å; E419-F577 HydrophobicContact CB-CZ 4.46Å
420	S	96.9	Very high	98.4	Very high	77 Å²	77	24.2 Å²	24.2	54%	0.538	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-41.7	-176.5	-51.3	0	0	0	0	111	D416 K422	D416-S420 WeakPolarHBondContact O-CA 3.3Å; D416-S420 VanDerWaalsContact O-CB 3.28Å; D416-S420 WeakPolarHBondContact O-CB 3.28Å; D416-S420 PolarHBondContact O-N 3.12Å; D416-S420 VanDerWaalsContact OD1-CB 3.25Å; D416-S420 WeakPolarHBondContact OD1-CB 3.13Å; D416-S420 PolarHBondContact OD1-OG 3.37Å; S420-K422 VanDerWaalsContact C-N 3.34Å
421	G	97.3	Very high	98.4	Very high	38 Å²	38	26.3 Å²	26.3	39%	0.392	15%	0.148	S	C	.	.	S	Bend	trans	-78.4	-16.4	-178.7	0	0	0	0	0	114.3	D416 K417 T423	D416-G421 PolarHBondContact O-N 3.22Å; K417-G421 CarbonylContact O-C 3.53Å; K417-G421 WeakPolarHBondContact O-CA 3.31Å; K417-G421 PolarHBondContact O-N 3.41Å; G421-T423 PolarHBondContact O-N 3.23Å; G421-T423 PolarHBondContact O-OG1 3.36Å; G421-T423 VanDerWaalsContact O-OG1 3.07Å
422	K	98.1	Very high	98.3	Very high	56 Å²	56	26.3 Å²	26.3	24%	0.243	15%	0.148	C	C	.	.			trans	49.2	30.5	-171.9	-52.7	-52.8	-173	-169.5	0	112.1	H286 N322 Q324 K417 V418 E419 S420	H286-K422 PolarHBondContact NE2-NZ 2.99Å; N322-K422 PolarHBondContact ND2-O 3.28Å; Q324-K422 HydrophobicContact CB-CB 4.14Å; K417-K422 PolarHBondContact O-N 3.13Å; V418-K422 VanDerWaalsContact O-CA 3.28Å; V418-K422 WeakPolarHBondContact O-CA 3.25Å; V418-K422 PolarHBondContact O-N 2.88Å; E419-K422 WeakPolarHBondContact O-CD 3.36Å; E419-K422 WeakPolarHBondContact O-CE 3.49Å; E419-K422 PolarHBondContact O-NZ 3.25Å; E419-K422 IonicContact OE1-NZ 3.64Å; E419-K422 PolarHBondContact OE1-NZ 2.77Å; S420-K422 VanDerWaalsContact C-N 3.34Å
423	T	98.4	Very high	98.3	Very high	15 Å²	15	25.4 Å²	25.4	9%	0.092	14%	0.142	C	C	.	.			trans	-106.2	134	-175	-60.5	0	0	0	0	110	S325 K327 K417 G421	S325-T423 PolarHBondContact OG-OG1 3.01Å; K327-T423 VanDerWaalsContact O-CG2 3.31Å; K327-T423 WeakPolarHBondContact O-CG2 3.43Å; K417-T423 HydrophobicContact CD-CG2 4.08Å; K417-T423 HydrophobicContact CG-CG2 4.2Å; K417-T423 PolarHBondContact O-N 2.92Å; G421-T423 PolarHBondContact O-N 3.23Å; G421-T423 PolarHBondContact O-OG1 3.36Å; G421-T423 VanDerWaalsContact O-OG1 3.07Å
424	S	98.7	Very high	98.2	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.014	13%	0.126	C	C	.	.			trans	-67.5	151.6	170.7	-61.6	0	0	0	0	110.5	A292 N322 L328 T329	A292-S424 PolarHBondContact N-OG 3.34Å; A292-S424 CarbonylContact O-C 3.41Å; A292-S424 WeakPolarHBondContact O-CA 3.46Å; N322-S424 WeakPolarHBondContact CB-OG 3.33Å; N322-S424 PolarHBondContact ND2-N 3.45Å; N322-S424 PolarHBondContact ND2-OG 3.15Å; L328-S424 WeakPolarHBondContact CD1-O 3.24Å; T329-S424 PolarHBondContact N-O 2.97Å
425	V	98.9	Very high	98.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	145.6	-175.5	-56.8	0	0	0	0	111.5	A292 V293 V294 T329 F331 I414 K417 V418 V427	A292-V425 PolarHBondContact O-N 2.74Å; V293-V425 HydrophobicContact CB-CG2 4.24Å; V293-V425 HydrophobicContact CG1-CG2 4.25Å; V293-V425 HydrophobicContact CG2-CG2 3.97Å; V294-V425 PolarHBondContact N-O 3.43Å; T329-V425 CarbonylContact O-C 3.51Å; T329-V425 WeakPolarHBondContact O-CA 3.33Å; F331-V425 HydrophobicContact CD2-CB 4.11Å; F331-V425 HydrophobicContact CD2-CG1 4.25Å; F331-V425 HydrophobicContact CE2-CB 4.15Å; F331-V425 HydrophobicContact CE2-CG1 3.77Å; I414-V425 HydrophobicContact CG2-CG2 4.04Å; K417-V425 HydrophobicContact CB-CG1 4Å; K417-V425 HydrophobicContact CG-CG1 3.61Å; V418-V425 HydrophobicContact CG2-CG1 3.91Å; V418-V425 HydrophobicContact CG2-CG2 3.76Å; V425-V427 HydrophobicContact CG2-CG2 4.43Å
426	V	98.9	Very high	98.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	127.9	169.1	-174.7	0	0	0	0	108.7	V294 C296 L315 L328 T329 I330 F331	V294-V426 HydrophobicContact CB-CG2 4.24Å; V294-V426 HydrophobicContact CG1-CG2 4.47Å; V294-V426 CarbonylContact O-C 3.23Å; V294-V426 WeakPolarHBondContact O-CA 3.45Å; C296-V426 WeakPolarHBondContact SG-CG1 3.46Å; L315-V426 HydrophobicContact CD2-CG2 4.14Å; L328-V426 HydrophobicContact CD1-CG2 4.02Å; L328-V426 HydrophobicContact CD2-CG2 3.97Å; L328-V426 HydrophobicContact CG-CG2 4.17Å; T329-V426 PolarHBondContact O-N 3.46Å; I330-V426 CarbonylContact C-O 3.03Å; I330-V426 WeakPolarHBondContact CA-O 3.41Å; I330-V426 HydrophobicContact CG1-CB 4.11Å; I330-V426 HydrophobicContact CG1-CG2 4.45Å; I330-V426 HydrophobicContact CG2-CB 4.44Å; F331-V426 PolarHBondContact N-O 3.47Å
427	V	98.9	Very high	98.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	121.8	-179.2	-172.6	0	0	0	0	108.8	V293 V294 R295 C296 I414 V425 T436 L439 T440	V293-V427 HydrophobicContact CG1-CG2 4.33Å; V294-V427 PolarHBondContact O-N 3.47Å; R295-V427 WeakPolarHBondContact CA-O 3.45Å; C296-V427 PolarHBondContact N-O 2.72Å; I414-V427 HydrophobicContact CD1-CG1 4.03Å; I414-V427 HydrophobicContact CD1-CG2 3.69Å; I414-V427 HydrophobicContact CG1-CG2 4.16Å; I414-V427 HydrophobicContact CG2-CG2 4.39Å; V425-V427 HydrophobicContact CG2-CG2 4.43Å; V427-T436 HydrophobicContact CG1-CG2 4.29Å; V427-T436 WeakPolarHBondContact O-CG2 3.29Å; V427-L439 HydrophobicContact CG1-CB 3.84Å; V427-L439 HydrophobicContact CG1-CD1 3.85Å; V427-T440 HydrophobicContact CB-CG2 4.15Å; V427-T440 HydrophobicContact CG1-CG2 4.41Å; V427-T440 HydrophobicContact CG2-CG2 4.4Å
428	H	98.8	Very high	98.3	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	173.7	174.3	73.2	87.1	0	0	0	113.4	C296 I330 F331 D332 S333 E350 T436	C296-H428 WeakPolarHBondContact O-CA 3.39Å; C296-H428 WeakPolarHBondContact O-CB 3.42Å; I330-H428 VanDerWaalsContact CG2-CD2 3.44Å; I330-H428 WeakPolarHBondContact CG2-CD2 3.35Å; I330-H428 VanDerWaalsContact CG2-NE2 3.32Å; I330-H428 WeakPolarHBondContact CG2-NE2 3.29Å; F331-H428 PolarHBondContact O-N 3.11Å; F331-H428 VanDerWaalsContact O-N 3.07Å; D332-H428 IonicContact OD2-CE1 2.78Å; D332-H428 PolarHBondContact OD2-CE1 2.9Å; S333-H428 PolarHBondContact N-O 3.44Å; S333-H428 PolarHBondContact OG-O 2.96Å; S333-H428 VanDerWaalsContact OG-O 3.13Å; E350-H428 IonicContact OE1-NE2 3.79Å; E350-H428 IonicContact OE2-CE1 3.45Å; E350-H428 IonicContact OE2-NE2 2.92Å; E350-H428 PolarHBondContact OE2-NE2 2.62Å; E350-H428 VanDerWaalsContact OE2-NE2 3.15Å; H428-T436 WeakPolarHBondContact CA-OG1 3.39Å
429	C	97.1	Very high	98.3	Very high	3 Å²	3	16.2 Å²	16.2	2%	0.02	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	-146.2	171.4	75.1	0	0	0	0	108	Q298 S333 R334 G432 R435 T436	Q298-C429 WeakPolarHBondContact CB-O 3.29Å; Q298-C429 PolarHBondContact N-O 3.25Å; Q298-C429 VanDerWaalsContact N-O 3.13Å; S333-C429 WeakPolarHBondContact OG-CB 3.48Å; R334-C429 HydrophobicContact CG-CB 4.48Å; C429-G432 PolarHBondContact SG-N 2.85Å; C429-R435 HydrophobicContact CB-CB 4.21Å; C429-T436 PolarHBondContact N-OG1 3.26Å
430	S	98.1	Very high	98.3	Very high	27 Å²	27	14 Å²	14	19%	0.189	9%	0.089	C	C	.	.	S	Bend	trans	-66.2	-70	168.6	-53.3	0	0	0	0	111	S297 Q298 R334	S297-S430 WeakPolarHBondContact CB-O 3.33Å; Q298-S430 VanDerWaalsContact CG-O 3.28Å; Q298-S430 WeakPolarHBondContact CG-O 3.48Å; Q298-S430 PolarHBondContact N-O 2.72Å; Q298-S430 VanDerWaalsContact N-O 3.1Å; Q298-S430 PolarHBondContact NE2-O 3.13Å; R334-S430 WeakPolarHBondContact CD-OG 3.46Å
431	D	97.9	Very high	98.4	Very high	45 Å²	45	10.3 Å²	10.3	24%	0.241	6%	0.063	C	C	.	.	S	Bend	trans	-96.8	-9.7	-174.6	-62	-50.1	0	0	0	114.1	R278 W433	R278-D431 WeakPolarHBondContact CD-O 3.37Å; R278-D431 PolarHBondContact NE-O 3.35Å; D431-W433 HydrophobicContact CB-CD2 3.69Å; D431-W433 HydrophobicContact CB-CE3 4Å; D431-W433 HydrophobicContact CB-CG 4.33Å; D431-W433 HydrophobicContact CB-CH2 3.64Å; D431-W433 HydrophobicContact CB-CZ2 3.35Å; D431-W433 HydrophobicContact CB-CZ3 3.99Å; D431-W433 PolarHBondContact O-N 2.84Å; D431-W433 WeakPolarHBondContact OD2-CZ2 3.49Å
432	G	97.5	Very high	98.5	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.044	C	C	.	.	S	Bend	trans	75.3	13.7	175.7	0	0	0	0	0	116.8	R278 R295 C296 C429 T436	R278-G432 PolarHBondContact NH2-O 3.02Å; R295-G432 PolarHBondContact NH2-O 2.71Å; R295-G432 VanDerWaalsContact NH2-O 3.1Å; C296-G432 VanDerWaalsContact O-CA 3.28Å; C296-G432 WeakPolarHBondContact O-CA 3.5Å; C429-G432 PolarHBondContact SG-N 2.85Å; G432-T436 WeakPolarHBondContact CA-OG1 3.45Å
433	W	97.9	Very high	98.5	Very high	6 Å²	6	5.9 Å²	5.9	2%	0.023	3%	0.033	C	C	.	.	S	Bend	trans	-119.5	-6.4	-179.9	60.3	49.2	0	0	0	115.3	T251 K276 D431 G469 H470 K471	T251-W433 HydrophobicContact CG2-CZ3 4.47Å; K276-W433 HydrophobicContact CB-CZ3 4.47Å; K276-W433 HydrophobicContact CG-CH2 4.13Å; K276-W433 HydrophobicContact CG-CZ3 4.03Å; D431-W433 HydrophobicContact CB-CD2 3.69Å; D431-W433 HydrophobicContact CB-CE3 4Å; D431-W433 HydrophobicContact CB-CG 4.33Å; D431-W433 HydrophobicContact CB-CH2 3.64Å; D431-W433 HydrophobicContact CB-CZ2 3.35Å; D431-W433 HydrophobicContact CB-CZ3 3.99Å; D431-W433 PolarHBondContact O-N 2.84Å; D431-W433 WeakPolarHBondContact OD2-CZ2 3.49Å; W433-G469 WeakPolarHBondContact CB-O 3.31Å; W433-H470 PolarHBondContact O-ND1 2.66Å; W433-K471 HydrophobicContact CD2-CD 4.33Å; W433-K471 HydrophobicContact CD2-CG 4.22Å; W433-K471 HydrophobicContact CH2-CD 4.24Å; W433-K471 HydrophobicContact CZ2-CD 3.84Å; W433-K471 VanDerWaalsContact CZ2-NZ 3.31Å; W433-K471 VanDerWaalsContact CZ3-CE 3.45Å
434	D	98.3	Very high	98.6	Very high	10 Å²	10	5.1 Å²	5.1	5%	0.053	3%	0.028	C	C	.	.	S	Bend	trans	-108.5	-95	-176.7	-78.1	-37.1	0	0	0	110.4	T436 A437 Q438 H470 R475 L491	D434-T436 PolarHBondContact O-N 3.11Å; D434-A437 WeakPolarHBondContact O-CB 3.34Å; D434-A437 PolarHBondContact O-N 2.83Å; D434-Q438 PolarHBondContact O-N 3.49Å; D434-Q438 VanDerWaalsContact O-N 3.15Å; D434-H470 IonicContact OD1-CE1 2.64Å; D434-H470 PolarHBondContact OD1-CE1 3.4Å; D434-H470 IonicContact OD1-ND1 3.92Å; D434-H470 PolarHBondContact OD1-ND1 2.76Å; D434-R475 IonicContact OD1-CZ 3.9Å; D434-R475 IonicContact OD1-NE 3.56Å; D434-R475 PolarHBondContact OD1-NE 3.24Å; D434-R475 IonicContact OD1-NH2 3.91Å; D434-R475 IonicContact OD2-CZ 3.77Å; D434-R475 IonicContact OD2-NE 2.69Å; D434-R475 PolarHBondContact OD2-NE 3.09Å; D434-R475 IonicContact OD2-NH2 3.89Å; D434-R475 PolarHBondContact OD2-NH2 2.91Å; D434-L491 HydrophobicContact CB-CD1 3.47Å; D434-L491 VanDerWaalsContact CB-CD1 3.47Å; D434-L491 WeakPolarHBondContact OD1-CD1 3.33Å
435	R	98.7	Very high	98.6	Very high	15 Å²	15	5 Å²	5	6%	0.057	3%	0.028	C	C	.	.	H	α-helix	trans	-54.9	-36.1	178.1	-71.4	169.3	-78.9	-164.1	-2.7	112.8	S333 E338 I365 C429 Q438 L439	S333-R435 WeakPolarHBondContact OG-CB 3.39Å; E338-R435 IonicContact OE2-CZ 2.71Å; E338-R435 IonicContact OE2-NH1 2.8Å; E338-R435 PolarHBondContact OE2-NH1 3.41Å; E338-R435 IonicContact OE2-NH2 2.77Å; E338-R435 PolarHBondContact OE2-NH2 3.11Å; I365-R435 HydrophobicContact CB-CG 4.5Å; I365-R435 HydrophobicContact CG2-CG 3.94Å; I365-R435 PolarHBondContact O-NH1 2.92Å; C429-R435 HydrophobicContact CB-CB 4.21Å; R435-Q438 WeakPolarHBondContact O-CB 3.29Å; R435-Q438 PolarHBondContact O-N 2.87Å; R435-L439 WeakPolarHBondContact O-CB 3.47Å; R435-L439 VanDerWaalsContact O-CG 3.29Å; R435-L439 WeakPolarHBondContact O-CG 3.46Å; R435-L439 PolarHBondContact O-N 3.38Å
436	T	98.9	Very high	98.5	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-59.9	-46.8	174.3	-55.5	0	0	0	0	111.8	R295 V427 H428 C429 G432 D434 Q438 L439 T440	R295-T436 HydrophobicContact CB-CG2 3.75Å; V427-T436 HydrophobicContact CG1-CG2 4.29Å; V427-T436 WeakPolarHBondContact O-CG2 3.29Å; H428-T436 WeakPolarHBondContact CA-OG1 3.39Å; C429-T436 PolarHBondContact N-OG1 3.26Å; G432-T436 WeakPolarHBondContact CA-OG1 3.45Å; D434-T436 PolarHBondContact O-N 3.11Å; T436-Q438 VanDerWaalsContact C-N 3.32Å; T436-Q438 PolarHBondContact O-N 3.4Å; T436-L439 PolarHBondContact O-N 2.95Å; T436-T440 HydrophobicContact CG2-CG2 4.28Å; T436-T440 WeakPolarHBondContact O-CG2 3.19Å; T436-T440 PolarHBondContact O-N 3Å; T436-T440 PolarHBondContact O-OG1 3.37Å; T436-T440 VanDerWaalsContact O-OG1 3.07Å
437	A	98.9	Very high	98.5	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-64.7	-37.9	178.5	0	0	0	0	0	111.6	D434 T440 S441 W465	D434-A437 WeakPolarHBondContact O-CB 3.34Å; D434-A437 PolarHBondContact O-N 2.83Å; A437-T440 PolarHBondContact O-OG1 3.28Å; A437-S441 WeakPolarHBondContact O-CB 3.3Å; A437-S441 PolarHBondContact O-N 2.67Å; A437-S441 VanDerWaalsContact O-N 3.14Å; A437-S441 PolarHBondContact O-OG 3.19Å; A437-W465 HydrophobicContact CB-CD2 4.09Å; A437-W465 HydrophobicContact CB-CE3 4.16Å; A437-W465 HydrophobicContact CB-CH2 4.48Å; A437-W465 HydrophobicContact CB-CZ2 4.35Å; A437-W465 HydrophobicContact CB-CZ3 4.36Å
438	Q	98.9	Very high	98.5	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-60.5	-49.8	173.7	-62.8	176.2	-51.9	0	0	111.4	L407 D434 R435 T436 L442 W465 L491 F495	L407-Q438 HydrophobicContact CD1-CB 3.64Å; L407-Q438 HydrophobicContact CD2-CB 3.97Å; L407-Q438 HydrophobicContact CD2-CG 4.23Å; L407-Q438 HydrophobicContact CG-CB 4.38Å; D434-Q438 PolarHBondContact O-N 3.49Å; D434-Q438 VanDerWaalsContact O-N 3.15Å; R435-Q438 WeakPolarHBondContact O-CB 3.29Å; R435-Q438 PolarHBondContact O-N 2.87Å; T436-Q438 VanDerWaalsContact C-N 3.32Å; T436-Q438 PolarHBondContact O-N 3.4Å; Q438-L442 WeakPolarHBondContact O-CB 3.42Å; Q438-L442 WeakPolarHBondContact O-CD1 2.95Å; Q438-L442 WeakPolarHBondContact O-CG 3.42Å; Q438-L442 PolarHBondContact O-N 3.08Å; Q438-W465 HydrophobicContact CB-CH2 4.46Å; Q438-W465 HydrophobicContact CB-CZ2 4.4Å; Q438-W465 HydrophobicContact CG-CH2 3.51Å; Q438-W465 HydrophobicContact CG-CZ2 3.91Å; Q438-L491 PolarHBondContact NE2-O 3.07Å; Q438-F495 HydrophobicContact CG-CB 4.3Å
439	L	98.9	Very high	98.4	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-69.1	-47.1	-175.6	-73.4	169	0	0	0	112.9	L363 I365 L407 A411 I414 V427 R435 T436 S443	L363-L439 HydrophobicContact CD1-CD1 3.5Å; L363-L439 VanDerWaalsContact CD1-CD1 3.5Å; L363-L439 HydrophobicContact CD1-CD2 3.93Å; L363-L439 HydrophobicContact CD1-CG 4.38Å; I365-L439 HydrophobicContact CD1-CD1 4.02Å; I365-L439 HydrophobicContact CD1-CD2 3.87Å; I365-L439 HydrophobicContact CD1-CG 4.18Å; L407-L439 HydrophobicContact CD1-CD2 3.89Å; L407-L439 HydrophobicContact CD1-CG 4.1Å; A411-L439 HydrophobicContact CB-CD2 4.45Å; I414-L439 HydrophobicContact CD1-CB 3.81Å; I414-L439 HydrophobicContact CD1-CD1 4.32Å; I414-L439 HydrophobicContact CD1-CD2 4.06Å; I414-L439 HydrophobicContact CD1-CG 4.29Å; V427-L439 HydrophobicContact CG1-CB 3.84Å; V427-L439 HydrophobicContact CG1-CD1 3.85Å; R435-L439 WeakPolarHBondContact O-CB 3.47Å; R435-L439 VanDerWaalsContact O-CG 3.29Å; R435-L439 WeakPolarHBondContact O-CG 3.46Å; R435-L439 PolarHBondContact O-N 3.38Å; T436-L439 PolarHBondContact O-N 2.95Å; L439-S443 VanDerWaalsContact O-CB 3.32Å; L439-S443 WeakPolarHBondContact O-CB 3.44Å; L439-S443 PolarHBondContact O-N 2.79Å; L439-S443 PolarHBondContact O-OG 3.31Å
440	T	98.9	Very high	98.5	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-62.4	-46.6	178.8	56.3	0	0	0	0	110.3	V293 R295 V427 T436 A437 L442 S443 M444 E464	V293-T440 HydrophobicContact CG1-CG2 4.13Å; R295-T440 HydrophobicContact CB-CG2 4.06Å; V427-T440 HydrophobicContact CB-CG2 4.15Å; V427-T440 HydrophobicContact CG1-CG2 4.41Å; V427-T440 HydrophobicContact CG2-CG2 4.4Å; T436-T440 HydrophobicContact CG2-CG2 4.28Å; T436-T440 WeakPolarHBondContact O-CG2 3.19Å; T436-T440 PolarHBondContact O-N 3Å; T436-T440 PolarHBondContact O-OG1 3.37Å; T436-T440 VanDerWaalsContact O-OG1 3.07Å; A437-T440 PolarHBondContact O-OG1 3.28Å; T440-L442 PolarHBondContact O-N 2.8Å; T440-S443 PolarHBondContact O-N 3.31Å; T440-M444 WeakPolarHBondContact O-CB 3.37Å; T440-M444 WeakPolarHBondContact O-CG 3.34Å; T440-M444 PolarHBondContact O-N 2.87Å; T440-E464 VanDerWaalsContact CB-OE2 3.31Å; T440-E464 WeakPolarHBondContact CB-OE2 3.45Å; T440-E464 PolarHBondContact OG1-OE2 2.82Å
441	S	98.9	Very high	98.5	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-62.8	-44.7	-179.9	-55.6	0	0	0	0	113	A437 M444 L445 E464 W465 F495	A437-S441 WeakPolarHBondContact O-CB 3.3Å; A437-S441 PolarHBondContact O-N 2.67Å; A437-S441 VanDerWaalsContact O-N 3.14Å; A437-S441 PolarHBondContact O-OG 3.19Å; S441-M444 PolarHBondContact O-N 3.24Å; S441-L445 WeakPolarHBondContact O-CG 3.35Å; S441-L445 PolarHBondContact O-N 2.96Å; S441-E464 WeakPolarHBondContact OG-CB 3.49Å; S441-W465 PolarHBondContact OG-NE1 3.28Å; S441-F495 VanDerWaalsContact CB-CE2 3.48Å
442	L	98.9	Very high	98.5	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-66.3	-40.9	178.3	-73	170	0	0	0	111.6	L407 L408 A411 Q438 T440 M444 L445 M446 F495 C498 V499 M502	L407-L442 HydrophobicContact CD1-CD1 4.22Å; L407-L442 HydrophobicContact CD2-CD1 4.01Å; L407-L442 HydrophobicContact CG-CD1 3.7Å; L408-L442 HydrophobicContact CD2-CD1 4.5Å; L408-L442 HydrophobicContact CD2-CD2 4.43Å; A411-L442 HydrophobicContact CB-CB 3.49Å; A411-L442 VanDerWaalsContact CB-CB 3.49Å; A411-L442 HydrophobicContact CB-CD1 4.33Å; Q438-L442 WeakPolarHBondContact O-CB 3.42Å; Q438-L442 WeakPolarHBondContact O-CD1 2.95Å; Q438-L442 WeakPolarHBondContact O-CG 3.42Å; Q438-L442 PolarHBondContact O-N 3.08Å; T440-L442 PolarHBondContact O-N 2.8Å; L442-M444 VanDerWaalsContact C-N 3.34Å; L442-L445 PolarHBondContact O-N 3.14Å; L442-M446 VanDerWaalsContact O-CG 3.31Å; L442-M446 WeakPolarHBondContact O-CG 3.28Å; L442-M446 PolarHBondContact O-N 3.18Å; L442-M446 VanDerWaalsContact O-N 3.08Å; L442-F495 HydrophobicContact CD1-CD2 4.46Å; L442-F495 HydrophobicContact CD2-CD2 3.93Å; L442-F495 HydrophobicContact CD2-CE2 3.91Å; L442-F495 HydrophobicContact CG-CD2 3.84Å; L442-F495 HydrophobicContact CG-CE2 3.97Å; L442-C498 HydrophobicContact CD1-CB 3.91Å; L442-C498 HydrophobicContact CD2-CB 3.72Å; L442-C498 HydrophobicContact CG-CB 4.47Å; L442-V499 HydrophobicContact CD2-CG2 4.19Å; L442-M502 HydrophobicContact CD2-CE 3.63Å
443	S	98.9	Very high	98.5	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-64.5	-41.9	176.9	-50.6	0	0	0	0	111	A411 I414 L439 T440 L445 M446 L447	A411-S443 PolarHBondContact O-OG 3.24Å; I414-S443 WeakPolarHBondContact CB-OG 3.48Å; I414-S443 WeakPolarHBondContact CG2-OG 3.21Å; L439-S443 VanDerWaalsContact O-CB 3.32Å; L439-S443 WeakPolarHBondContact O-CB 3.44Å; L439-S443 PolarHBondContact O-N 2.79Å; L439-S443 PolarHBondContact O-OG 3.31Å; T440-S443 PolarHBondContact O-N 3.31Å; S443-L445 VanDerWaalsContact C-N 3.34Å; S443-L445 PolarHBondContact O-N 3.23Å; S443-M446 WeakPolarHBondContact O-CB 3.47Å; S443-M446 PolarHBondContact O-N 3.36Å; S443-M446 VanDerWaalsContact O-N 3.15Å; S443-L447 WeakPolarHBondContact O-CB 3.25Å; S443-L447 WeakPolarHBondContact O-CD1 3.47Å; S443-L447 VanDerWaalsContact O-CG 3.22Å; S443-L447 WeakPolarHBondContact O-CG 3.18Å; S443-L447 PolarHBondContact O-N 3.07Å
444	M	98.8	Very high	98.6	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-63.2	-37	175.5	-73.3	163.8	65.2	0	0	112.4	W284 T440 S441 L442 M446 L447 D448 Y451 L460 E464	W284-M444 HydrophobicContact CB-CE 4.47Å; W284-M444 HydrophobicContact CB-CG 3.8Å; W284-M444 HydrophobicContact CB-SD 4.22Å; W284-M444 HydrophobicContact CG-CG 4.13Å; T440-M444 WeakPolarHBondContact O-CB 3.37Å; T440-M444 WeakPolarHBondContact O-CG 3.34Å; T440-M444 PolarHBondContact O-N 2.87Å; S441-M444 PolarHBondContact O-N 3.24Å; L442-M444 VanDerWaalsContact C-N 3.34Å; M444-M446 VanDerWaalsContact C-N 3.32Å; M444-M446 PolarHBondContact O-N 2.67Å; M444-L447 PolarHBondContact O-N 3.38Å; M444-D448 PolarHBondContact O-N 3.15Å; M444-Y451 HydrophobicContact CB-CD2 3.75Å; M444-Y451 HydrophobicContact CB-CE2 3.78Å; M444-Y451 HydrophobicContact CE-CD2 4.15Å; M444-Y451 HydrophobicContact CE-CE1 4.17Å; M444-Y451 HydrophobicContact CE-CE2 3.3Å; M444-Y451 WeakPolarHBondContact CE-OH 3.18Å; M444-Y451 HydrophobicContact CG-CE2 4.22Å; M444-L460 HydrophobicContact CB-CD1 4.14Å; M444-L460 HydrophobicContact CE-CD1 3.49Å; M444-L460 VanDerWaalsContact CE-CD1 3.49Å; M444-L460 HydrophobicContact SD-CD1 4.14Å; M444-E464 HydrophobicContact CE-CG 3.82Å; M444-E464 HydrophobicContact SD-CG 3.68Å
445	L	98.6	Very high	98.6	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-65.6	-34.9	173.1	-74.8	165.5	0	0	0	113	S441 L442 S443 Y451 R452 F457 L460 F495 V499 M502 F510	S441-L445 WeakPolarHBondContact O-CG 3.35Å; S441-L445 PolarHBondContact O-N 2.96Å; L442-L445 PolarHBondContact O-N 3.14Å; S443-L445 VanDerWaalsContact C-N 3.34Å; S443-L445 PolarHBondContact O-N 3.23Å; L445-Y451 WeakPolarHBondContact CD2-O 3.15Å; L445-R452 HydrophobicContact CD2-CG 4.23Å; L445-R452 WeakPolarHBondContact O-CD 3.18Å; L445-R452 PolarHBondContact O-NE 2.98Å; L445-F457 HydrophobicContact CD1-CD2 4.42Å; L445-F457 HydrophobicContact CD1-CE2 3.87Å; L445-F457 HydrophobicContact CD2-CD2 3.83Å; L445-F457 HydrophobicContact CD2-CE2 4.12Å; L445-L460 HydrophobicContact CD1-CD2 3.81Å; L445-L460 HydrophobicContact CD2-CD2 3.75Å; L445-L460 HydrophobicContact CG-CD2 3.54Å; L445-F495 HydrophobicContact CD1-CE2 4.2Å; L445-F495 HydrophobicContact CD1-CZ 4.19Å; L445-V499 HydrophobicContact CD1-CG2 3.67Å; L445-M502 HydrophobicContact CB-CE 4.07Å; L445-M502 HydrophobicContact CD1-CE 3.95Å; L445-F510 HydrophobicContact CD2-CE1 4.36Å
446	M	98.7	Very high	98.6	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-68.6	-43.4	175.4	-68.1	172.3	-167	0	0	110.9	L408 A411 V412 A415 L442 S443 M444 M502 V575 L576 P578	L408-M446 HydrophobicContact CD2-CE 4.14Å; A411-M446 HydrophobicContact CB-CE 3.69Å; A411-M446 HydrophobicContact CB-SD 4.19Å; V412-M446 HydrophobicContact CG2-CE 3.91Å; V412-M446 HydrophobicContact CG2-SD 3.86Å; A415-M446 HydrophobicContact CB-CB 4.03Å; A415-M446 HydrophobicContact CB-SD 4.07Å; L442-M446 VanDerWaalsContact O-CG 3.31Å; L442-M446 WeakPolarHBondContact O-CG 3.28Å; L442-M446 PolarHBondContact O-N 3.18Å; L442-M446 VanDerWaalsContact O-N 3.08Å; S443-M446 WeakPolarHBondContact O-CB 3.47Å; S443-M446 PolarHBondContact O-N 3.36Å; S443-M446 VanDerWaalsContact O-N 3.15Å; M444-M446 VanDerWaalsContact C-N 3.32Å; M444-M446 PolarHBondContact O-N 2.67Å; M446-M502 HydrophobicContact CE-SD 3.92Å; M446-M502 HydrophobicContact CG-SD 4.16Å; M446-V575 CarbonylContact O-C 3.52Å; M446-V575 VanDerWaalsContact O-CA 3.27Å; M446-V575 WeakPolarHBondContact O-CA 3.49Å; M446-V575 WeakPolarHBondContact O-CG1 3.11Å; M446-L576 VanDerWaalsContact CB-O 3.26Å; M446-L576 WeakPolarHBondContact CB-O 3.48Å; M446-L576 VanDerWaalsContact CG-O 3.25Å; M446-L576 WeakPolarHBondContact CG-O 3.36Å; M446-L576 PolarHBondContact O-N 3.27Å; M446-P578 HydrophobicContact CE-CG 3.8Å
447	L	98.4	Very high	98.6	Very high	8 Å²	8	13.8 Å²	13.8	4%	0.042	6%	0.062	C	C	.	.	H	α-helix	trans	-82.5	-41.5	-172.3	-66.8	166.1	0	0	0	113.7	W284 V293 A415 V418 E419 S443 M444 V575	W284-L447 HydrophobicContact CE3-CD1 3.97Å; W284-L447 HydrophobicContact CH2-CB 3.84Å; W284-L447 HydrophobicContact CH2-CD1 4.22Å; W284-L447 HydrophobicContact CH2-CG 4.42Å; W284-L447 HydrophobicContact CZ2-CB 3.98Å; W284-L447 HydrophobicContact CZ3-CB 4.25Å; W284-L447 HydrophobicContact CZ3-CD1 3.77Å; W284-L447 HydrophobicContact CZ3-CG 4.44Å; V293-L447 HydrophobicContact CG2-CD1 4.4Å; A415-L447 HydrophobicContact CB-CD1 4.39Å; A415-L447 HydrophobicContact CB-CD2 4.06Å; A415-L447 HydrophobicContact CB-CG 4.02Å; V418-L447 HydrophobicContact CB-CD1 4.31Å; V418-L447 HydrophobicContact CG1-CD1 4.11Å; V418-L447 HydrophobicContact CG1-CD2 4.47Å; E419-L447 HydrophobicContact CB-CD2 3.89Å; S443-L447 WeakPolarHBondContact O-CB 3.25Å; S443-L447 WeakPolarHBondContact O-CD1 3.47Å; S443-L447 VanDerWaalsContact O-CG 3.22Å; S443-L447 WeakPolarHBondContact O-CG 3.18Å; S443-L447 PolarHBondContact O-N 3.07Å; M444-L447 PolarHBondContact O-N 3.38Å; L447-V575 HydrophobicContact CD2-CG1 4.23Å; L447-V575 HydrophobicContact CD2-CG2 4.49Å
448	D	98.1	Very high	98.6	Very high	20 Å²	20	13.8 Å²	13.8	11%	0.107	6%	0.062	C	C	.	.			trans	-116.6	118.9	-167.3	-168.5	-24.4	0	0	0	111.4	R229 W284 M444 Y450 Y451 R452	R229-D448 IonicContact CZ-OD2 3.37Å; R229-D448 VanDerWaalsContact CZ-OD2 3.3Å; R229-D448 IonicContact NH1-OD1 3.15Å; R229-D448 PolarHBondContact NH1-OD1 3.31Å; R229-D448 IonicContact NH1-OD2 2.66Å; R229-D448 PolarHBondContact NH1-OD2 3.06Å; R229-D448 IonicContact NH2-OD2 3.42Å; R229-D448 PolarHBondContact NH2-OD2 3.43Å; W284-D448 HydrophobicContact CZ2-CB 4.22Å; W284-D448 PolarHBondContact NE1-OD2 3.1Å; M444-D448 PolarHBondContact O-N 3.15Å; D448-Y450 PolarHBondContact O-N 3.28Å; D448-Y450 WeakPolarHBondContact OD1-CB 3.4Å; D448-Y450 PolarHBondContact OD1-N 2.93Å; D448-Y451 HydrophobicContact CB-CD2 3.71Å; D448-Y451 HydrophobicContact CB-CE2 3.93Å; D448-Y451 PolarHBondContact O-N 3.44Å; D448-R452 PolarHBondContact O-NE 3.21Å
449	S	97.4	Very high	98.6	Very high	24 Å²	24	13.9 Å²	13.9	17%	0.168	6%	0.063	C	C	.	.	S	Bend	trans	-67.9	-22	-179.8	54.5	0	0	0	0	113.2	Y451 R452 Y571	S449-Y451 VanDerWaalsContact C-N 3.35Å; S449-Y451 PolarHBondContact O-N 2.65Å; S449-R452 VanDerWaalsContact CA-NH2 3.28Å; S449-R452 VanDerWaalsContact N-NH2 3.17Å; S449-R452 WeakPolarHBondContact O-CB 3.16Å; S449-R452 PolarHBondContact O-N 2.9Å; S449-R452 VanDerWaalsContact O-N 3.16Å; S449-Y571 WeakPolarHBondContact CB-O 3.28Å
450	Y	97.9	Very high	98.6	Very high	54 Å²	54	13.9 Å²	13.9	21%	0.212	6%	0.063	C	C	.	.	G	3₁₀ helix	trans	-58.7	-46.7	175.3	170.9	-110.9	0	0	0	111.3	E226 R229 D448 R452 T453 G456 V459	E226-Y450 VanDerWaalsContact OE2-CE1 3.29Å; E226-Y450 WeakPolarHBondContact OE2-CE1 3.25Å; R229-Y450 VanDerWaalsContact NE-CD1 3.28Å; D448-Y450 PolarHBondContact O-N 3.28Å; D448-Y450 WeakPolarHBondContact OD1-CB 3.4Å; D448-Y450 PolarHBondContact OD1-N 2.93Å; Y450-R452 PolarHBondContact O-N 3.32Å; Y450-T453 WeakPolarHBondContact O-CB 3.4Å; Y450-T453 WeakPolarHBondContact O-CG2 3.3Å; Y450-T453 PolarHBondContact O-N 3.39Å; Y450-T453 PolarHBondContact O-OG1 3.13Å; Y450-G456 WeakPolarHBondContact O-CA 3.42Å; Y450-V459 HydrophobicContact CE1-CB 4.31Å; Y450-V459 HydrophobicContact CE1-CG1 4.11Å; Y450-V459 WeakPolarHBondContact OH-CG2 3.28Å
451	Y	98.6	Very high	98.6	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	6%	0.063	C	C	.	.	G	3₁₀ helix	trans	-68.3	-9.4	-178.4	-58.9	-52.4	0	0	0	114	E226 R229 Q230 W284 M444 L445 D448 S449 G456 F457 L460	E226-Y451 WeakPolarHBondContact OE1-CE1 3.35Å; E226-Y451 VanDerWaalsContact OE1-CZ 3.32Å; E226-Y451 PolarHBondContact OE1-OH 2.65Å; R229-Y451 PolarHBondContact NH2-OH 3.12Å; Q230-Y451 PolarHBondContact NE2-OH 3.15Å; Q230-Y451 VanDerWaalsContact NE2-OH 3.11Å; W284-Y451 AromaticContact CD1-CE2 3.88Å; M444-Y451 HydrophobicContact CB-CD2 3.75Å; M444-Y451 HydrophobicContact CB-CE2 3.78Å; M444-Y451 HydrophobicContact CE-CD2 4.15Å; M444-Y451 HydrophobicContact CE-CE1 4.17Å; M444-Y451 HydrophobicContact CE-CE2 3.3Å; M444-Y451 WeakPolarHBondContact CE-OH 3.18Å; M444-Y451 HydrophobicContact CG-CE2 4.22Å; L445-Y451 WeakPolarHBondContact CD2-O 3.15Å; D448-Y451 HydrophobicContact CB-CD2 3.71Å; D448-Y451 HydrophobicContact CB-CE2 3.93Å; D448-Y451 PolarHBondContact O-N 3.44Å; S449-Y451 VanDerWaalsContact C-N 3.35Å; S449-Y451 PolarHBondContact O-N 2.65Å; Y451-G456 WeakPolarHBondContact CD1-O 3.42Å; Y451-F457 WeakPolarHBondContact O-CA 3.33Å; Y451-F457 WeakPolarHBondContact O-CB 3.32Å; Y451-F457 PolarHBondContact O-N 3.14Å; Y451-L460 HydrophobicContact CD1-CB 3.85Å; Y451-L460 HydrophobicContact CD1-CD1 4.12Å; Y451-L460 HydrophobicContact CD2-CD1 4.28Å; Y451-L460 HydrophobicContact CE1-CB 4.48Å; Y451-L460 HydrophobicContact CE1-CD1 4.33Å; Y451-L460 HydrophobicContact CE2-CD1 4.48Å; Y451-L460 HydrophobicContact CG-CB 4.26Å; Y451-L460 HydrophobicContact CG-CD1 4.09Å
452	R	98.5	Very high	98.6	Very high	4 Å²	4	14.4 Å²	14.4	2%	0.015	7%	0.065	C	C	.	.	G	3₁₀ helix	trans	-89.5	-8.1	174	-62	178.2	-105.3	158.6	-2.3	113.3	L445 D448 S449 Y450 A509 F510 E511 C574	L445-R452 HydrophobicContact CD2-CG 4.23Å; L445-R452 WeakPolarHBondContact O-CD 3.18Å; L445-R452 PolarHBondContact O-NE 2.98Å; D448-R452 PolarHBondContact O-NE 3.21Å; S449-R452 VanDerWaalsContact CA-NH2 3.28Å; S449-R452 VanDerWaalsContact N-NH2 3.17Å; S449-R452 WeakPolarHBondContact O-CB 3.16Å; S449-R452 PolarHBondContact O-N 2.9Å; S449-R452 VanDerWaalsContact O-N 3.16Å; Y450-R452 PolarHBondContact O-N 3.32Å; R452-A509 WeakPolarHBondContact CB-O 3.45Å; R452-F510 HydrophobicContact CB-CD1 3.88Å; R452-F510 HydrophobicContact CB-CE1 4.25Å; R452-F510 HydrophobicContact CB-CG 4.48Å; R452-F510 HydrophobicContact CG-CD1 3.8Å; R452-F510 HydrophobicContact CG-CE1 3.64Å; R452-F510 HydrophobicContact CG-CZ 4.28Å; R452-F510 WeakPolarHBondContact O-CA 3.33Å; R452-E511 PolarHBondContact O-N 2.7Å; R452-C574 VanDerWaalsContact CZ-O 3.23Å; R452-C574 PolarHBondContact NH1-O 3.23Å; R452-C574 PolarHBondContact NH2-O 3Å
453	T	98.3	Very high	98.6	Very high	27 Å²	27	14.4 Å²	14.4	17%	0.166	7%	0.065	C	C	.	.	S	Bend	trans	-73.3	158	168.5	68.2	0	0	0	0	110.6	Y450 R455 G456 F457 E511	Y450-T453 WeakPolarHBondContact O-CB 3.4Å; Y450-T453 WeakPolarHBondContact O-CG2 3.3Å; Y450-T453 PolarHBondContact O-N 3.39Å; Y450-T453 PolarHBondContact O-OG1 3.13Å; T453-R455 VanDerWaalsContact C-N 3.3Å; T453-R455 PolarHBondContact O-N 2.93Å; T453-G456 PolarHBondContact O-N 3.33Å; T453-G456 WeakPolarHBondContact OG1-CA 3.43Å; T453-G456 PolarHBondContact OG1-N 2.92Å; T453-F457 WeakPolarHBondContact O-CB 3.21Å; T453-F457 PolarHBondContact O-N 3.19Å; T453-E511 VanDerWaalsContact CA-OE2 3.31Å; T453-E511 WeakPolarHBondContact CA-OE2 3.44Å; T453-E511 VanDerWaalsContact CB-OE2 3.24Å; T453-E511 WeakPolarHBondContact CB-OE2 3.36Å
454	L	98.1	Very high	98.6	Very high	10 Å²	10	14.4 Å²	14.4	5%	0.052	7%	0.065	C	C	.	.	H	α-helix	trans	-58.3	-45.1	178.5	178.9	65.1	0	0	0	110.2	Q458 E511 F512 F516 I556 P560 F563	L454-Q458 VanDerWaalsContact O-CG 3.27Å; L454-Q458 WeakPolarHBondContact O-CG 3.36Å; L454-Q458 PolarHBondContact O-NE2 3.32Å; L454-E511 HydrophobicContact CB-CG 4.25Å; L454-E511 PolarHBondContact N-OE2 2.93Å; L454-F512 HydrophobicContact CD1-CB 3.85Å; L454-F516 HydrophobicContact CD1-CD2 3.61Å; L454-F516 HydrophobicContact CD1-CE1 4.43Å; L454-F516 HydrophobicContact CD1-CE2 3.56Å; L454-F516 HydrophobicContact CD1-CG 4.09Å; L454-F516 HydrophobicContact CD1-CZ 3.97Å; L454-I556 HydrophobicContact CD1-CG2 4.33Å; L454-P560 HydrophobicContact CD2-CB 4.05Å; L454-F563 HydrophobicContact CD1-CB 4.11Å
455	R	98.5	Very high	98.6	Very high	142 Å²	142	14.4 Å²	14.4	54%	0.536	7%	0.065	S	C	.	.	H	α-helix	trans	-73.5	-43.7	177.5	-174.5	174.8	179	-142.5	-3.3	112.3	V220 T453 F457 Q458 V459	V220-R455 HydrophobicContact CG2-CG 3.94Å; V220-R455 PolarHBondContact O-NH2 2.8Å; T453-R455 VanDerWaalsContact C-N 3.3Å; T453-R455 PolarHBondContact O-N 2.93Å; R455-F457 VanDerWaalsContact C-N 3.29Å; R455-F457 PolarHBondContact O-N 3.33Å; R455-Q458 WeakPolarHBondContact O-CB 3.2Å; R455-Q458 PolarHBondContact O-N 3Å; R455-Q458 VanDerWaalsContact O-N 3.1Å; R455-V459 PolarHBondContact O-N 3.32Å
456	G	98.7	Very high	98.6	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-64.1	-34.2	-178.6	0	0	0	0	0	112.6	Y450 Y451 T453 Q458 V459 L460	Y450-G456 WeakPolarHBondContact O-CA 3.42Å; Y451-G456 WeakPolarHBondContact CD1-O 3.42Å; T453-G456 PolarHBondContact O-N 3.33Å; T453-G456 WeakPolarHBondContact OG1-CA 3.43Å; T453-G456 PolarHBondContact OG1-N 2.92Å; G456-Q458 VanDerWaalsContact C-N 3.35Å; G456-Q458 PolarHBondContact O-N 3.06Å; G456-V459 WeakPolarHBondContact O-CB 3.48Å; G456-V459 PolarHBondContact O-N 3.39Å; G456-L460 PolarHBondContact O-N 2.8Å
457	F	98.9	Very high	98.6	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-63.9	-40.3	172.4	-166.3	-98.1	0	0	0	112	L445 Y451 T453 R455 V459 L460 L461 F495 I496 V499 F512 F516 L517 I520	L445-F457 HydrophobicContact CD1-CD2 4.42Å; L445-F457 HydrophobicContact CD1-CE2 3.87Å; L445-F457 HydrophobicContact CD2-CD2 3.83Å; L445-F457 HydrophobicContact CD2-CE2 4.12Å; Y451-F457 WeakPolarHBondContact O-CA 3.33Å; Y451-F457 WeakPolarHBondContact O-CB 3.32Å; Y451-F457 PolarHBondContact O-N 3.14Å; T453-F457 WeakPolarHBondContact O-CB 3.21Å; T453-F457 PolarHBondContact O-N 3.19Å; R455-F457 VanDerWaalsContact C-N 3.29Å; R455-F457 PolarHBondContact O-N 3.33Å; F457-V459 VanDerWaalsContact C-N 3.33Å; F457-V459 PolarHBondContact O-N 2.77Å; F457-L460 HydrophobicContact CD2-CD2 4.36Å; F457-L460 HydrophobicContact CE2-CD2 4.44Å; F457-L460 WeakPolarHBondContact O-CB 3.47Å; F457-L460 PolarHBondContact O-N 3.15Å; F457-L461 HydrophobicContact CD1-CD1 3.99Å; F457-L461 HydrophobicContact CD1-CG 4.14Å; F457-L461 HydrophobicContact CE1-CD1 3.67Å; F457-L461 HydrophobicContact CE1-CD2 4.01Å; F457-L461 HydrophobicContact CE1-CG 3.99Å; F457-L461 HydrophobicContact CZ-CD2 4.15Å; F457-L461 WeakPolarHBondContact O-CG 3.43Å; F457-L461 PolarHBondContact O-N 3.18Å; F457-F495 HydrophobicContact CE2-CZ 4.24Å; F457-F495 HydrophobicContact CZ-CE1 4.04Å; F457-F495 HydrophobicContact CZ-CZ 4.16Å; F457-I496 HydrophobicContact CE1-CD1 4.13Å; F457-I496 HydrophobicContact CZ-CD1 3.93Å; F457-V499 HydrophobicContact CE2-CB 4.46Å; F457-V499 HydrophobicContact CE2-CG1 3.79Å; F457-V499 HydrophobicContact CE2-CG2 3.91Å; F457-V499 HydrophobicContact CZ-CB 4.48Å; F457-V499 HydrophobicContact CZ-CG1 4.04Å; F457-V499 HydrophobicContact CZ-CG2 4.04Å; F457-F512 HydrophobicContact CB-CD1 3.96Å; F457-F512 HydrophobicContact CB-CE1 3.56Å; F457-F512 HydrophobicContact CB-CZ 4.37Å; F457-F512 HydrophobicContact CD1-CE1 4.45Å; F457-F512 AromaticContact CD2-CE1 3.59Å; F457-F512 HydrophobicContact CD2-CE1 3.59Å; F457-F512 AromaticContact CD2-CZ 3.57Å; F457-F512 HydrophobicContact CD2-CZ 3.57Å; F457-F512 HydrophobicContact CE2-CE1 4.39Å; F457-F512 AromaticContact CE2-CZ 3.92Å; F457-F512 HydrophobicContact CE2-CZ 3.92Å; F457-F512 HydrophobicContact CG-CD1 4.27Å; F457-F512 AromaticContact CG-CE1 3.62Å; F457-F512 HydrophobicContact CG-CE1 3.62Å; F457-F512 AromaticContact CG-CZ 3.93Å; F457-F512 HydrophobicContact CG-CZ 3.93Å; F457-F516 HydrophobicContact CB-CE1 4.36Å; F457-F516 AromaticContact CD1-CE1 3.37Å; F457-F516 HydrophobicContact CD1-CE1 3.37Å; F457-F516 AromaticContact CD1-CZ 3.71Å; F457-F516 HydrophobicContact CD1-CZ 3.71Å; F457-F516 AromaticContact CE1-CE1 3.87Å; F457-F516 HydrophobicContact CE1-CE1 3.87Å; F457-F516 HydrophobicContact CE1-CZ 4.44Å; F457-F516 HydrophobicContact CG-CE1 4.07Å; F457-F516 HydrophobicContact CG-CZ 4.49Å; F457-L517 HydrophobicContact CE1-CD2 4.17Å; F457-L517 HydrophobicContact CZ-CD2 4.19Å; F457-I520 HydrophobicContact CD1-CD1 4.26Å; F457-I520 HydrophobicContact CE1-CD1 3.91Å
458	Q	98.9	Very high	98.6	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-62.3	-42.2	175.3	-59.8	167.6	18.8	0	0	111	V220 L454 R455 G456 L460 L461 E462 F516 W553 N557	V220-Q458 HydrophobicContact CG1-CB 4.46Å; V220-Q458 HydrophobicContact CG2-CB 3.86Å; L454-Q458 VanDerWaalsContact O-CG 3.27Å; L454-Q458 WeakPolarHBondContact O-CG 3.36Å; L454-Q458 PolarHBondContact O-NE2 3.32Å; R455-Q458 WeakPolarHBondContact O-CB 3.2Å; R455-Q458 PolarHBondContact O-N 3Å; R455-Q458 VanDerWaalsContact O-N 3.1Å; G456-Q458 VanDerWaalsContact C-N 3.35Å; G456-Q458 PolarHBondContact O-N 3.06Å; Q458-L460 VanDerWaalsContact C-N 3.34Å; Q458-L460 PolarHBondContact O-N 3.21Å; Q458-L461 PolarHBondContact O-N 2.92Å; Q458-E462 PolarHBondContact O-N 3.23Å; Q458-F516 HydrophobicContact CG-CE2 4.41Å; Q458-F516 HydrophobicContact CG-CZ 4.19Å; Q458-W553 HydrophobicContact CB-CD2 3.96Å; Q458-W553 HydrophobicContact CB-CE3 4.11Å; Q458-W553 HydrophobicContact CB-CG 4.42Å; Q458-W553 HydrophobicContact CB-CZ2 4.41Å; Q458-W553 HydrophobicContact CB-CZ3 4.41Å; Q458-W553 HydrophobicContact CG-CD2 3.83Å; Q458-W553 HydrophobicContact CG-CE3 3.48Å; Q458-W553 VanDerWaalsContact CG-CE3 3.48Å; Q458-W553 HydrophobicContact CG-CG 4.48Å; Q458-W553 HydrophobicContact CG-CH2 4.32Å; Q458-W553 HydrophobicContact CG-CZ3 3.75Å; Q458-N557 PolarHBondContact NE2-OD1 3.45Å; Q458-N557 PolarHBondContact OE1-ND2 3.09Å; Q458-N557 PolarHBondContact OE1-OD1 3.18Å
459	V	98.9	Very high	98.6	Very high	3 Å²	3	13.7 Å²	13.7	2%	0.018	6%	0.061	C	C	.	.	H	α-helix	trans	-60.7	-41.8	172.8	167.7	0	0	0	0	111.6	V220 Y221 E226 Y450 R455 G456 F457 L461 E462 K463	V220-V459 HydrophobicContact CG2-CG2 4.31Å; V220-V459 VanDerWaalsContact O-CG2 3.29Å; V220-V459 WeakPolarHBondContact O-CG2 3.01Å; Y221-V459 HydrophobicContact CD2-CG1 3.85Å; Y221-V459 HydrophobicContact CE2-CG1 4.37Å; E226-V459 HydrophobicContact CB-CG1 4.49Å; E226-V459 HydrophobicContact CG-CG1 4.14Å; Y450-V459 HydrophobicContact CE1-CB 4.31Å; Y450-V459 HydrophobicContact CE1-CG1 4.11Å; Y450-V459 WeakPolarHBondContact OH-CG2 3.28Å; R455-V459 PolarHBondContact O-N 3.32Å; G456-V459 WeakPolarHBondContact O-CB 3.48Å; G456-V459 PolarHBondContact O-N 3.39Å; F457-V459 VanDerWaalsContact C-N 3.33Å; F457-V459 PolarHBondContact O-N 2.77Å; V459-L461 VanDerWaalsContact C-N 3.31Å; V459-L461 PolarHBondContact O-N 3.29Å; V459-E462 PolarHBondContact O-N 3.13Å; V459-K463 WeakPolarHBondContact O-CB 3.23Å; V459-K463 PolarHBondContact O-N 3.16Å
460	L	98.9	Very high	98.7	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-58.2	-43.5	175.9	-178	68.9	0	0	0	111.6	M444 L445 Y451 G456 F457 Q458 E464 F495	M444-L460 HydrophobicContact CB-CD1 4.14Å; M444-L460 HydrophobicContact CE-CD1 3.49Å; M444-L460 VanDerWaalsContact CE-CD1 3.49Å; M444-L460 HydrophobicContact SD-CD1 4.14Å; L445-L460 HydrophobicContact CD1-CD2 3.81Å; L445-L460 HydrophobicContact CD2-CD2 3.75Å; L445-L460 HydrophobicContact CG-CD2 3.54Å; Y451-L460 HydrophobicContact CD1-CB 3.85Å; Y451-L460 HydrophobicContact CD1-CD1 4.12Å; Y451-L460 HydrophobicContact CD2-CD1 4.28Å; Y451-L460 HydrophobicContact CE1-CB 4.48Å; Y451-L460 HydrophobicContact CE1-CD1 4.33Å; Y451-L460 HydrophobicContact CE2-CD1 4.48Å; Y451-L460 HydrophobicContact CG-CB 4.26Å; Y451-L460 HydrophobicContact CG-CD1 4.09Å; G456-L460 PolarHBondContact O-N 2.8Å; F457-L460 HydrophobicContact CD2-CD2 4.36Å; F457-L460 HydrophobicContact CE2-CD2 4.44Å; F457-L460 WeakPolarHBondContact O-CB 3.47Å; F457-L460 PolarHBondContact O-N 3.15Å; Q458-L460 VanDerWaalsContact C-N 3.34Å; Q458-L460 PolarHBondContact O-N 3.21Å; L460-E464 HydrophobicContact CD1-CB 4.42Å; L460-E464 HydrophobicContact CD1-CG 3.83Å; L460-E464 WeakPolarHBondContact O-CB 3.34Å; L460-E464 PolarHBondContact O-N 3.19Å; L460-F495 HydrophobicContact CD2-CZ 4.44Å
461	L	98.9	Very high	98.7	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-69.9	-44.9	178.7	-57.5	-172.7	0	0	0	112.2	F457 Q458 V459 K463 W465 I466 F492 F495 I520 F532 W553	F457-L461 HydrophobicContact CD1-CD1 3.99Å; F457-L461 HydrophobicContact CD1-CG 4.14Å; F457-L461 HydrophobicContact CE1-CD1 3.67Å; F457-L461 HydrophobicContact CE1-CD2 4.01Å; F457-L461 HydrophobicContact CE1-CG 3.99Å; F457-L461 HydrophobicContact CZ-CD2 4.15Å; F457-L461 WeakPolarHBondContact O-CG 3.43Å; F457-L461 PolarHBondContact O-N 3.18Å; Q458-L461 PolarHBondContact O-N 2.92Å; V459-L461 VanDerWaalsContact C-N 3.31Å; V459-L461 PolarHBondContact O-N 3.29Å; L461-K463 PolarHBondContact O-N 2.76Å; L461-W465 WeakPolarHBondContact O-CB 3.43Å; L461-W465 PolarHBondContact O-N 2.87Å; L461-I466 PolarHBondContact O-N 2.94Å; L461-F492 HydrophobicContact CD1-CZ 3.99Å; L461-F492 HydrophobicContact CD2-CE2 3.99Å; L461-F492 HydrophobicContact CD2-CZ 4.15Å; L461-F495 HydrophobicContact CD2-CE1 3.54Å; L461-F495 HydrophobicContact CD2-CZ 4.09Å; L461-I520 HydrophobicContact CD1-CD1 3.99Å; L461-F532 HydrophobicContact CD1-CZ 4.5Å; L461-W553 HydrophobicContact CB-CZ2 4.34Å; L461-W553 HydrophobicContact CD1-CH2 3.74Å; L461-W553 HydrophobicContact CD1-CZ2 4.24Å
462	E	98.9	Very high	98.8	Very high	11 Å²	11	12.7 Å²	12.7	5%	0.051	6%	0.055	C	C	.	.	I	π-helix	trans	-60.6	-37.2	176.3	-73.8	-67	171.3	0	0	111.7	V220 Y221 Q458 V459 I466 S467 W553	V220-E462 HydrophobicContact CG1-CG 3.89Å; Y221-E462 HydrophobicContact CD1-CB 3.64Å; Y221-E462 HydrophobicContact CE1-CB 4.5Å; Y221-E462 HydrophobicContact CG-CB 3.73Å; Q458-E462 PolarHBondContact O-N 3.23Å; V459-E462 PolarHBondContact O-N 3.13Å; E462-I466 HydrophobicContact CG-CD1 4.36Å; E462-I466 WeakPolarHBondContact OE2-CD1 3.32Å; E462-S467 VanDerWaalsContact O-CB 3.25Å; E462-S467 WeakPolarHBondContact O-CB 3.44Å; E462-S467 PolarHBondContact O-N 2.92Å; E462-W553 PolarHBondContact OE1-NE1 2.96Å
463	K	98.9	Very high	98.7	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.065	C	C	.	.	I	π-helix	trans	-77.2	-74.4	176.8	-178.8	166.6	170.1	-72.5	0	112.5	Y221 E226 S283 V459 L461 W465 S467 F468	Y221-K463 HydrophobicContact CE1-CB 4.35Å; Y221-K463 HydrophobicContact CE2-CB 3.84Å; Y221-K463 HydrophobicContact CE2-CD 4.19Å; Y221-K463 HydrophobicContact CE2-CG 4.32Å; E226-K463 HydrophobicContact CG-CD 3.79Å; S283-K463 PolarHBondContact O-NZ 2.99Å; V459-K463 WeakPolarHBondContact O-CB 3.23Å; V459-K463 PolarHBondContact O-N 3.16Å; L461-K463 PolarHBondContact O-N 2.76Å; K463-W465 VanDerWaalsContact C-N 3.29Å; K463-W465 PolarHBondContact O-N 2.91Å; K463-S467 PolarHBondContact O-OG 3.01Å; K463-F468 HydrophobicContact CG-CE2 4.49Å; K463-F468 WeakPolarHBondContact O-CD2 3.12Å; K463-F468 PolarHBondContact O-N 2.85Å
464	E	98.9	Very high	98.6	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.068	C	C	.	.	I	π-helix	trans	-72.9	-20	-164.3	-70.3	-61.8	123.6	0	0	114.3	S283 R295 T440 S441 M444 L460	S283-E464 WeakPolarHBondContact CB-OE1 3.24Å; S283-E464 PolarHBondContact OG-OE1 3.08Å; S283-E464 PolarHBondContact OG-OE2 3.12Å; R295-E464 IonicContact CZ-OE2 3.21Å; R295-E464 PolarHBondContact NH1-O 2.92Å; R295-E464 IonicContact NH1-OE2 3.76Å; R295-E464 PolarHBondContact NH1-OE2 2.86Å; T440-E464 VanDerWaalsContact CB-OE2 3.31Å; T440-E464 WeakPolarHBondContact CB-OE2 3.45Å; T440-E464 PolarHBondContact OG1-OE2 2.82Å; S441-E464 WeakPolarHBondContact OG-CB 3.49Å; M444-E464 HydrophobicContact CE-CG 3.82Å; M444-E464 HydrophobicContact SD-CG 3.68Å; L460-E464 HydrophobicContact CD1-CB 4.42Å; L460-E464 HydrophobicContact CD1-CG 3.83Å; L460-E464 WeakPolarHBondContact O-CB 3.34Å; L460-E464 PolarHBondContact O-N 3.19Å
465	W	98.9	Very high	98.6	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.067	C	C	.	.	I	π-helix	trans	-108.6	-54.5	-179	-68	81.7	0	0	0	112.5	A437 Q438 S441 L461 K463 G469 H470 F472 F492 F495	A437-W465 HydrophobicContact CB-CD2 4.09Å; A437-W465 HydrophobicContact CB-CE3 4.16Å; A437-W465 HydrophobicContact CB-CH2 4.48Å; A437-W465 HydrophobicContact CB-CZ2 4.35Å; A437-W465 HydrophobicContact CB-CZ3 4.36Å; Q438-W465 HydrophobicContact CB-CH2 4.46Å; Q438-W465 HydrophobicContact CB-CZ2 4.4Å; Q438-W465 HydrophobicContact CG-CH2 3.51Å; Q438-W465 HydrophobicContact CG-CZ2 3.91Å; S441-W465 PolarHBondContact OG-NE1 3.28Å; L461-W465 WeakPolarHBondContact O-CB 3.43Å; L461-W465 PolarHBondContact O-N 2.87Å; K463-W465 VanDerWaalsContact C-N 3.29Å; K463-W465 PolarHBondContact O-N 2.91Å; W465-G469 PolarHBondContact O-N 3.27Å; W465-H470 HydrophobicContact CB-CB 4.47Å; W465-H470 HydrophobicContact CE3-CB 3.82Å; W465-H470 AromaticContact CE3-CD2 3.73Å; W465-H470 AromaticContact CE3-CG 3.52Å; W465-H470 AromaticContact CE3-ND1 3.89Å; W465-H470 AromaticContact CZ3-CD2 3.93Å; W465-H470 AromaticContact CZ3-CE1 3.8Å; W465-H470 AromaticContact CZ3-CG 3.82Å; W465-H470 AromaticContact CZ3-ND1 3.73Å; W465-H470 AromaticContact CZ3-NE2 3.92Å; W465-H470 WeakPolarHBondContact O-CB 3.29Å; W465-H470 PolarHBondContact O-N 2.78Å; W465-F472 HydrophobicContact CB-CE2 3.97Å; W465-F472 HydrophobicContact CB-CZ 3.94Å; W465-F472 HydrophobicContact CE3-CZ 4.28Å; W465-F492 AromaticContact CD2-CD2 3.59Å; W465-F492 HydrophobicContact CD2-CD2 3.59Å; W465-F492 AromaticContact CD2-CE2 3.78Å; W465-F492 HydrophobicContact CD2-CE2 3.78Å; W465-F492 AromaticContact CE2-CD2 3.91Å; W465-F492 AromaticContact CE3-CD2 3.44Å; W465-F492 HydrophobicContact CE3-CD2 3.44Å; W465-F492 VanDerWaalsContact CE3-CD2 3.44Å; W465-F492 HydrophobicContact CE3-CE2 4.09Å; W465-F492 HydrophobicContact CE3-CG 4.41Å; W465-F492 HydrophobicContact CG-CD2 4.25Å; W465-F492 AromaticContact CG-CE2 3.99Å; W465-F492 HydrophobicContact CG-CE2 3.99Å; W465-F492 HydrophobicContact CH2-CB 4.46Å; W465-F492 AromaticContact CH2-CD2 3.9Å; W465-F492 HydrophobicContact CH2-CD2 3.9Å; W465-F492 HydrophobicContact CZ2-CD2 4.09Å; W465-F492 HydrophobicContact CZ3-CB 4.03Å; W465-F492 AromaticContact CZ3-CD2 3.6Å; W465-F492 HydrophobicContact CZ3-CD2 3.6Å; W465-F492 HydrophobicContact CZ3-CG 4.32Å; W465-F495 AromaticContact CE2-CD1 3.83Å; W465-F495 AromaticContact CE2-CG 3.93Å; W465-F495 HydrophobicContact CH2-CB 3.67Å; W465-F495 HydrophobicContact CH2-CD1 4.42Å; W465-F495 HydrophobicContact CH2-CG 4.06Å; W465-F495 HydrophobicContact CZ2-CB 3.39Å; W465-F495 AromaticContact CZ2-CD1 3.6Å; W465-F495 HydrophobicContact CZ2-CD1 3.6Å; W465-F495 AromaticContact CZ2-CD2 3.74Å; W465-F495 HydrophobicContact CZ2-CD2 3.74Å; W465-F495 HydrophobicContact CZ2-CE1 4.31Å; W465-F495 HydrophobicContact CZ2-CE2 4.43Å; W465-F495 AromaticContact CZ2-CG 3.27Å; W465-F495 HydrophobicContact CZ2-CG 3.27Å; W465-F495 AromaticContact NE1-CD1 3.92Å; W465-F495 AromaticContact NE1-CE1 3.76Å; W465-F495 AromaticContact NE1-CZ 3.87Å
466	I	98.9	Very high	98.6	Very high	8 Å²	8	7.6 Å²	7.6	4%	0.041	4%	0.044	C	C	.	.	I	π-helix	trans	-78.9	-57.4	-171.6	-64	166.4	0	0	0	110.6	L461 E462 F468 G469 F472 T531 F532 K540	L461-I466 PolarHBondContact O-N 2.94Å; E462-I466 HydrophobicContact CG-CD1 4.36Å; E462-I466 WeakPolarHBondContact OE2-CD1 3.32Å; I466-F468 VanDerWaalsContact C-N 3.34Å; I466-F468 PolarHBondContact O-N 3.42Å; I466-G469 PolarHBondContact O-N 3.49Å; I466-G469 VanDerWaalsContact O-N 3.12Å; I466-F472 HydrophobicContact CG1-CD2 4.49Å; I466-F472 HydrophobicContact CG1-CE2 3.78Å; I466-F472 HydrophobicContact CG1-CZ 4.45Å; I466-T531 HydrophobicContact CD1-CG2 3.84Å; I466-T531 WeakPolarHBondContact CD1-O 3.12Å; I466-F532 HydrophobicContact CD1-CD1 4.22Å; I466-F532 HydrophobicContact CD1-CE1 4.1Å; I466-F532 HydrophobicContact CG1-CD1 4.5Å; I466-K540 HydrophobicContact CG2-CD 4.05Å
467	S	98.8	Very high	98.5	Very high	4 Å²	4	7.7 Å²	7.7	3%	0.028	5%	0.045	C	C	.	.	I	π-helix	trans	-66.9	-37.9	-176.7	87.5	0	0	0	0	111.5	P253 E462 K463 G469 E537	P253-S467 WeakPolarHBondContact CD-O 3.07Å; E462-S467 VanDerWaalsContact O-CB 3.25Å; E462-S467 WeakPolarHBondContact O-CB 3.44Å; E462-S467 PolarHBondContact O-N 2.92Å; K463-S467 PolarHBondContact O-OG 3.01Å; S467-G469 PolarHBondContact O-N 2.93Å; S467-E537 WeakPolarHBondContact CB-OE2 3.28Å
468	F	98.9	Very high	98.4	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	6.6	174.9	-89	-74.4	0	0	0	115.2	T251 Y252 P253 R278 V281 R295 K463 I466	T251-F468 CarbonylContact O-C 3.32Å; Y252-F468 AromaticContact CD1-CD1 3.84Å; Y252-F468 HydrophobicContact CD1-CD1 3.84Å; Y252-F468 HydrophobicContact CD1-CE1 4.13Å; Y252-F468 AromaticContact CE1-CD1 3.75Å; Y252-F468 HydrophobicContact CE1-CD1 3.75Å; Y252-F468 AromaticContact CE1-CE1 3.94Å; Y252-F468 HydrophobicContact CE1-CE1 3.94Å; Y252-F468 HydrophobicContact CE2-CE1 4.45Å; Y252-F468 HydrophobicContact CG-CE1 4.46Å; P253-F468 HydrophobicContact CG-CE1 4.29Å; P253-F468 HydrophobicContact CG-CE2 4.29Å; P253-F468 HydrophobicContact CG-CZ 4.17Å; R278-F468 PolarHBondContact NH1-O 3.24Å; R278-F468 PolarHBondContact NH2-O 3.35Å; V281-F468 HydrophobicContact CG2-CE1 3.43Å; V281-F468 VanDerWaalsContact CG2-CE1 3.43Å; V281-F468 HydrophobicContact CG2-CZ 3.66Å; R295-F468 HydrophobicContact CG-CD1 4.48Å; R295-F468 HydrophobicContact CG-CE1 4.09Å; R295-F468 HydrophobicContact CG-CZ 4.41Å; K463-F468 HydrophobicContact CG-CE2 4.49Å; K463-F468 WeakPolarHBondContact O-CD2 3.12Å; K463-F468 PolarHBondContact O-N 2.85Å; I466-F468 VanDerWaalsContact C-N 3.34Å; I466-F468 PolarHBondContact O-N 3.42Å
469	G	98.7	Very high	98.2	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	35.8	163.9	0	0	0	0	0	115.4	W433 W465 I466 S467 K471 N535	W433-G469 WeakPolarHBondContact CB-O 3.31Å; W465-G469 PolarHBondContact O-N 3.27Å; I466-G469 PolarHBondContact O-N 3.49Å; I466-G469 VanDerWaalsContact O-N 3.12Å; S467-G469 PolarHBondContact O-N 2.93Å; G469-K471 PolarHBondContact O-N 2.93Å; G469-N535 CarbonylContact C-O 3.21Å; G469-N535 WeakPolarHBondContact CA-O 3.22Å
470	H	98.9	Very high	98	Very high	3 Å²	3	9.3 Å²	9.3	1%	0.014	5%	0.054	C	C	.	.			trans	-58	128.8	161.1	-176.7	69.1	0	0	0	109	W433 D434 W465 F472	W433-H470 PolarHBondContact O-ND1 2.66Å; D434-H470 IonicContact OD1-CE1 2.64Å; D434-H470 PolarHBondContact OD1-CE1 3.4Å; D434-H470 IonicContact OD1-ND1 3.92Å; D434-H470 PolarHBondContact OD1-ND1 2.76Å; W465-H470 HydrophobicContact CB-CB 4.47Å; W465-H470 HydrophobicContact CE3-CB 3.82Å; W465-H470 AromaticContact CE3-CD2 3.73Å; W465-H470 AromaticContact CE3-CG 3.52Å; W465-H470 AromaticContact CE3-ND1 3.89Å; W465-H470 AromaticContact CZ3-CD2 3.93Å; W465-H470 AromaticContact CZ3-CE1 3.8Å; W465-H470 AromaticContact CZ3-CG 3.82Å; W465-H470 AromaticContact CZ3-ND1 3.73Å; W465-H470 AromaticContact CZ3-NE2 3.92Å; W465-H470 WeakPolarHBondContact O-CB 3.29Å; W465-H470 PolarHBondContact O-N 2.78Å; H470-F472 HydrophobicContact CB-CD2 4.25Å; H470-F472 HydrophobicContact CB-CE2 4.02Å; H470-F472 AromaticContact CD2-CD1 3.89Å; H470-F472 AromaticContact CD2-CD2 3.85Å; H470-F472 AromaticContact CD2-CE1 3.91Å; H470-F472 AromaticContact CD2-CE2 3.87Å; H470-F472 AromaticContact CD2-CG 3.86Å; H470-F472 AromaticContact CD2-CZ 3.9Å; H470-F472 WeakPolarHBondContact O-CD2 3.21Å; H470-F472 PolarHBondContact O-N 3.34Å
471	K	98.5	Very high	97.6	Very high	50 Å²	50	13 Å²	13	22%	0.217	7%	0.071	C	C	.	.			trans	-78.1	63	-172.5	-61.2	-167	166	179.8	0	112.7	W433 G469 A473 S474 R475 N535	W433-K471 HydrophobicContact CD2-CD 4.33Å; W433-K471 HydrophobicContact CD2-CG 4.22Å; W433-K471 HydrophobicContact CH2-CD 4.24Å; W433-K471 HydrophobicContact CZ2-CD 3.84Å; W433-K471 VanDerWaalsContact CZ2-NZ 3.31Å; W433-K471 VanDerWaalsContact CZ3-CE 3.45Å; G469-K471 PolarHBondContact O-N 2.93Å; K471-A473 VanDerWaalsContact C-N 3.35Å; K471-A473 PolarHBondContact O-N 2.96Å; K471-S474 PolarHBondContact O-N 2.95Å; K471-S474 VanDerWaalsContact O-N 3.14Å; K471-R475 HydrophobicContact CB-CG 4.39Å; K471-R475 WeakPolarHBondContact O-CB 3.45Å; K471-R475 VanDerWaalsContact O-CG 3.23Å; K471-R475 WeakPolarHBondContact O-CG 3.32Å; K471-R475 PolarHBondContact O-N 3.48Å; K471-N535 VanDerWaalsContact CA-OD1 3.3Å; K471-N535 WeakPolarHBondContact CA-OD1 3.4Å; K471-N535 HydrophobicContact CB-CB 4.17Å; K471-N535 WeakPolarHBondContact CB-OD1 3.36Å; K471-N535 HydrophobicContact CG-CB 4.14Å; K471-N535 PolarHBondContact O-OD1 3.39Å
472	F	98.8	Very high	97.3	Very high	4 Å²	4	15 Å²	15	2%	0.018	9%	0.085	C	C	.	.	H	α-helix	trans	-51.8	-50.1	-176.3	-78.9	-80.1	0	0	0	112.2	W465 I466 H470 S474 R475 I476 F492 L524 F532	W465-F472 HydrophobicContact CB-CE2 3.97Å; W465-F472 HydrophobicContact CB-CZ 3.94Å; W465-F472 HydrophobicContact CE3-CZ 4.28Å; I466-F472 HydrophobicContact CG1-CD2 4.49Å; I466-F472 HydrophobicContact CG1-CE2 3.78Å; I466-F472 HydrophobicContact CG1-CZ 4.45Å; H470-F472 HydrophobicContact CB-CD2 4.25Å; H470-F472 HydrophobicContact CB-CE2 4.02Å; H470-F472 AromaticContact CD2-CD1 3.89Å; H470-F472 AromaticContact CD2-CD2 3.85Å; H470-F472 AromaticContact CD2-CE1 3.91Å; H470-F472 AromaticContact CD2-CE2 3.87Å; H470-F472 AromaticContact CD2-CG 3.86Å; H470-F472 AromaticContact CD2-CZ 3.9Å; H470-F472 WeakPolarHBondContact O-CD2 3.21Å; H470-F472 PolarHBondContact O-N 3.34Å; F472-S474 VanDerWaalsContact C-N 3.33Å; F472-S474 PolarHBondContact O-N 2.99Å; F472-R475 PolarHBondContact O-N 3.41Å; F472-I476 VanDerWaalsContact O-CB 3.3Å; F472-I476 WeakPolarHBondContact O-CB 3.42Å; F472-I476 VanDerWaalsContact O-CG1 3.25Å; F472-I476 WeakPolarHBondContact O-CG1 3.48Å; F472-I476 PolarHBondContact O-N 3.41Å; F472-F492 HydrophobicContact CE1-CB 4.14Å; F472-F492 AromaticContact CE1-CD1 3.88Å; F472-F492 HydrophobicContact CE1-CD1 3.88Å; F472-F492 AromaticContact CE1-CD2 3.87Å; F472-F492 HydrophobicContact CE1-CD2 3.87Å; F472-F492 HydrophobicContact CE1-CE1 4.2Å; F472-F492 HydrophobicContact CE1-CE2 4.19Å; F472-F492 AromaticContact CE1-CG 3.69Å; F472-F492 HydrophobicContact CE1-CG 3.69Å; F472-F492 HydrophobicContact CE1-CZ 4.34Å; F472-F492 AromaticContact CZ-CD2 3.92Å; F472-F492 HydrophobicContact CZ-CD2 3.92Å; F472-F492 AromaticContact CZ-CE2 3.98Å; F472-F492 HydrophobicContact CZ-CE2 3.98Å; F472-F492 HydrophobicContact CZ-CG 4.23Å; F472-F492 HydrophobicContact CZ-CZ 4.35Å; F472-L524 HydrophobicContact CD1-CD1 3.59Å; F472-L524 HydrophobicContact CE1-CD1 3.74Å; F472-F532 WeakPolarHBondContact CB-O 3.33Å; F472-F532 HydrophobicContact CD1-CB 4.08Å; F472-F532 AromaticContact CD1-CD1 3.95Å; F472-F532 HydrophobicContact CD1-CD1 3.95Å; F472-F532 HydrophobicContact CD1-CG 4.33Å; F472-F532 HydrophobicContact CD2-CD1 4.47Å; F472-F532 HydrophobicContact CE1-CB 4.47Å; F472-F532 AromaticContact CE1-CD1 3.5Å; F472-F532 HydrophobicContact CE1-CD1 3.5Å; F472-F532 VanDerWaalsContact CE1-CD1 3.5Å; F472-F532 HydrophobicContact CE1-CE1 4.05Å; F472-F532 HydrophobicContact CE1-CG 4.23Å; F472-F532 HydrophobicContact CE2-CD1 4.08Å; F472-F532 HydrophobicContact CG-CB 4.33Å; F472-F532 HydrophobicContact CG-CD1 4.42Å; F472-F532 AromaticContact CZ-CD1 3.57Å; F472-F532 HydrophobicContact CZ-CD1 3.57Å; F472-F532 AromaticContact CZ-CE1 3.92Å; F472-F532 HydrophobicContact CZ-CE1 3.92Å
473	A	97.4	Very high	96.4	Very high	26 Å²	26	23.1 Å²	23.1	22%	0.215	12%	0.115	C	C	.	.	H	α-helix	trans	-58.7	-42.2	179.7	0	0	0	0	0	113.1	K471 G477 H478 C534 N535	K471-A473 VanDerWaalsContact C-N 3.35Å; K471-A473 PolarHBondContact O-N 2.96Å; A473-G477 VanDerWaalsContact O-CA 3.28Å; A473-G477 WeakPolarHBondContact O-CA 3.37Å; A473-G477 PolarHBondContact O-N 2.53Å; A473-H478 PolarHBondContact O-N 3.28Å; A473-C534 PolarHBondContact N-O 3.49Å; A473-C534 VanDerWaalsContact N-O 3.13Å; A473-N535 WeakPolarHBondContact CB-OD1 3.45Å; A473-N535 PolarHBondContact N-OD1 3.36Å
474	S	97.1	Very high	95.7	Very high	34 Å²	34	28.8 Å²	28.8	24%	0.238	15%	0.15	C	C	.	.	H	α-helix	trans	-72.6	-43.3	177.1	-58.5	0	0	0	0	113.3	K471 F472 N535	K471-S474 PolarHBondContact O-N 2.95Å; K471-S474 VanDerWaalsContact O-N 3.14Å; F472-S474 VanDerWaalsContact C-N 3.33Å; F472-S474 PolarHBondContact O-N 2.99Å; S474-N535 PolarHBondContact N-OD1 3.49Å; S474-N535 PolarHBondContact OG-ND2 3.1Å; S474-N535 PolarHBondContact OG-OD1 3.07Å
475	R	98.2	Very high	95.1	Very high	7 Å²	7	30.8 Å²	30.8	3%	0.026	16%	0.161	C	C	.	.	H	α-helix	trans	-70.4	-33.4	-175.8	-68.5	-76.6	173.2	-90.4	1.2	112.1	D434 K471 F472 E487 R488 S489	D434-R475 IonicContact OD1-CZ 3.9Å; D434-R475 IonicContact OD1-NE 3.56Å; D434-R475 PolarHBondContact OD1-NE 3.24Å; D434-R475 IonicContact OD1-NH2 3.91Å; D434-R475 IonicContact OD2-CZ 3.77Å; D434-R475 IonicContact OD2-NE 2.69Å; D434-R475 PolarHBondContact OD2-NE 3.09Å; D434-R475 IonicContact OD2-NH2 3.89Å; D434-R475 PolarHBondContact OD2-NH2 2.91Å; K471-R475 HydrophobicContact CB-CG 4.39Å; K471-R475 WeakPolarHBondContact O-CB 3.45Å; K471-R475 VanDerWaalsContact O-CG 3.23Å; K471-R475 WeakPolarHBondContact O-CG 3.32Å; K471-R475 PolarHBondContact O-N 3.48Å; F472-R475 PolarHBondContact O-N 3.41Å; R475-E487 WeakPolarHBondContact CD-O 3.36Å; R475-E487 IonicContact CZ-OE2 3.32Å; R475-E487 PolarHBondContact NH1-O 3.05Å; R475-E487 IonicContact NH1-OE2 3.58Å; R475-E487 PolarHBondContact NH1-OE2 3.38Å; R475-E487 IonicContact NH2-OE2 2.75Å; R475-R488 CarbonylContact O-C 3.4Å; R475-R488 VanDerWaalsContact O-CA 3.24Å; R475-R488 WeakPolarHBondContact O-CA 3.3Å; R475-S489 PolarHBondContact O-N 3.06Å
476	I	96.9	Very high	94.8	Very high	10 Å²	10	34.5 Å²	34.5	5%	0.051	18%	0.183	C	C	.	.	H	α-helix	trans	-94.3	-26.6	179.6	-53	-56.2	0	0	0	112.5	K169 F472 H478 L524 Y525	K169-I476 HydrophobicContact CD-CG2 4.2Å; K169-I476 WeakPolarHBondContact CE-O 3.43Å; K169-I476 PolarHBondContact NZ-O 3.14Å; K169-I476 VanDerWaalsContact NZ-O 3.14Å; F472-I476 VanDerWaalsContact O-CB 3.3Å; F472-I476 WeakPolarHBondContact O-CB 3.42Å; F472-I476 VanDerWaalsContact O-CG1 3.25Å; F472-I476 WeakPolarHBondContact O-CG1 3.48Å; F472-I476 PolarHBondContact O-N 3.41Å; I476-H478 VanDerWaalsContact CB-CE1 3.47Å; I476-H478 WeakPolarHBondContact CB-CE1 3.34Å; I476-H478 WeakPolarHBondContact CG2-CE1 3.43Å; I476-L524 HydrophobicContact CD1-CD1 3.96Å; I476-L524 HydrophobicContact CD1-CD2 3.69Å; I476-L524 HydrophobicContact CD1-CG 3.86Å; I476-L524 HydrophobicContact CG1-CD1 3.9Å; I476-L524 HydrophobicContact CG1-CD2 4.48Å; I476-L524 HydrophobicContact CG1-CG 4.1Å; I476-Y525 HydrophobicContact CD1-CE1 4.12Å; I476-Y525 HydrophobicContact CG2-CD1 3.5Å; I476-Y525 HydrophobicContact CG2-CE1 3.84Å
477	G	96.8	Very high	94.5	Very high	2 Å²	2	37.7 Å²	37.7	2%	0.021	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	67	57.9	-173.2	0	0	0	0	0	111.2	K169 A473 G479	K169-G477 PolarHBondContact NZ-O 3.33Å; A473-G477 VanDerWaalsContact O-CA 3.28Å; A473-G477 WeakPolarHBondContact O-CA 3.37Å; A473-G477 PolarHBondContact O-N 2.53Å; G477-G479 PolarHBondContact O-N 3.21Å
478	H	96.9	Very high	94.4	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.019	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	116.1	177.9	-66.6	-42.9	0	0	0	110.5	F204 A473 I476 D480 L524 C527 F532	F204-H478 HydrophobicContact CE1-CB 3.78Å; F204-H478 HydrophobicContact CZ-CB 3.84Å; F204-H478 WeakPolarHBondContact CZ-O 3.42Å; A473-H478 PolarHBondContact O-N 3.28Å; I476-H478 VanDerWaalsContact CB-CE1 3.47Å; I476-H478 WeakPolarHBondContact CB-CE1 3.34Å; I476-H478 WeakPolarHBondContact CG2-CE1 3.43Å; H478-D480 PolarHBondContact O-N 3.37Å; H478-D480 VanDerWaalsContact O-N 3.15Å; H478-L524 PolarHBondContact CE1-O 3.35Å; H478-C527 PolarHBondContact ND1-SG 3.11Å; H478-F532 PolarHBondContact NE2-O 3.26Å
479	G	94.6	Very high	94.4	Very high	4 Å²	4	39.7 Å²	39.7	4%	0.041	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	17.7	176.5	0	0	0	0	0	115.6	F196 L198 S199 G477	F196-G479 CarbonylContact C-O 3.53Å; F196-G479 WeakPolarHBondContact CA-O 3.46Å; F196-G479 WeakPolarHBondContact CB-O 3.41Å; L198-G479 WeakPolarHBondContact CA-O 3.47Å; L198-G479 VanDerWaalsContact CB-O 3.24Å; L198-G479 WeakPolarHBondContact CB-O 3.41Å; L198-G479 PolarHBondContact N-O 3.25Å; S199-G479 PolarHBondContact N-O 3.29Å; S199-G479 VanDerWaalsContact N-O 3.08Å; G477-G479 PolarHBondContact O-N 3.21Å
480	D	94.5	Very high	94.4	Very high	28 Å²	28	40.2 Å²	40.2	15%	0.15	21%	0.21	C	C	.	.			trans	-101.6	123.2	-180	172	30.6	0	0	0	110	L198 H478 S482 N485 R488	L198-D480 HydrophobicContact CD2-CB 4.43Å; H478-D480 PolarHBondContact O-N 3.37Å; H478-D480 VanDerWaalsContact O-N 3.15Å; D480-S482 VanDerWaalsContact C-N 3.34Å; D480-S482 WeakPolarHBondContact OD1-CB 3.47Å; D480-S482 PolarHBondContact OD1-N 2.98Å; D480-N485 PolarHBondContact OD2-ND2 3.12Å; D480-R488 PolarHBondContact O-NH2 3.44Å; D480-R488 IonicContact OD1-NH2 2.83Å; D480-R488 IonicContact OD2-CZ 3.67Å; D480-R488 IonicContact OD2-NE 3.41Å; D480-R488 IonicContact OD2-NH2 2.7Å; D480-R488 PolarHBondContact OD2-NH2 3.32Å
481	E	92.2	Very high	94.3	Very high	79 Å²	79	40.2 Å²	40.2	37%	0.369	21%	0.21	S	C	.	.			trans	-81.4	-13.1	176.7	-165.7	172.4	-140.8	0	0	112.7	S192 F196 S199 R483	S192-E481 PolarHBondContact OG-OE1 2.92Å; F196-E481 HydrophobicContact CB-CB 3.95Å; F196-E481 HydrophobicContact CD1-CB 4.1Å; F196-E481 HydrophobicContact CD2-CB 3.81Å; F196-E481 HydrophobicContact CD2-CG 3.69Å; F196-E481 HydrophobicContact CE2-CB 4.37Å; F196-E481 HydrophobicContact CE2-CG 3.86Å; F196-E481 HydrophobicContact CG-CB 3.67Å; F196-E481 HydrophobicContact CG-CG 4.08Å; F196-E481 HydrophobicContact CZ-CG 4.37Å; S199-E481 PolarHBondContact OG-N 3.13Å; E481-R483 PolarHBondContact O-N 3.43Å; E481-R483 VanDerWaalsContact O-N 3.12Å
482	S	90.6	Very high	94.4	Very high	42 Å²	42	37.9 Å²	37.9	29%	0.294	20%	0.199	S	C	.	.			trans	-58.4	117.8	-171.9	-178.6	0	0	0	0	113.3	D480 T484 R488	D480-S482 VanDerWaalsContact C-N 3.34Å; D480-S482 WeakPolarHBondContact OD1-CB 3.47Å; D480-S482 PolarHBondContact OD1-N 2.98Å; S482-T484 PolarHBondContact OG-OG1 3.14Å; S482-R488 PolarHBondContact O-NH2 2.83Å
483	R	81.3	Confident	94.4	Very high	180 Å²	180	37.7 Å²	37.7	68%	0.679	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-21.7	176.9	-60.7	-175.8	-178.6	-155.5	-1.5	113.1	L149 E481 N485	L149-R483 PolarHBondContact O-NH2 3.1Å; E481-R483 PolarHBondContact O-N 3.43Å; E481-R483 VanDerWaalsContact O-N 3.12Å; R483-N485 VanDerWaalsContact C-N 3.32Å
484	T	84.3	Confident	94.4	Very high	119 Å²	119	36.4 Å²	36.4	73%	0.73	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-2.1	-177.2	56.4	0	0	0	0	112.5	S482 T486	S482-T484 PolarHBondContact OG-OG1 3.14Å; T484-T486 PolarHBondContact O-N 3.16Å
485	N	86.6	Confident	94.5	Very high	43 Å²	43	34.8 Å²	34.8	23%	0.23	18%	0.177	C	C	.	.			trans	-67.1	99.1	179.8	-173.3	-14.3	0	0	0	111.2	D480 R483 E487	D480-N485 PolarHBondContact OD2-ND2 3.12Å; R483-N485 VanDerWaalsContact C-N 3.32Å; N485-E487 VanDerWaalsContact C-N 3.26Å; N485-E487 PolarHBondContact O-N 3.15Å; N485-E487 VanDerWaalsContact OD1-CB 3.31Å; N485-E487 WeakPolarHBondContact OD1-CB 3.4Å; N485-E487 PolarHBondContact OD1-N 2.65Å
486	T	91.5	Very high	94.5	Very high	77 Å²	77	34.5 Å²	34.5	47%	0.472	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-0.6	179.5	55.2	0	0	0	0	113.7	H369 R372 T484	H369-T486 PolarHBondContact CE1-O 2.79Å; H369-T486 VanDerWaalsContact CE1-O 3.24Å; H369-T486 PolarHBondContact ND1-O 2.88Å; R372-T486 PolarHBondContact NH1-O 3.44Å; T484-T486 PolarHBondContact O-N 3.16Å
487	E	93.8	Very high	94.6	Very high	75 Å²	75	34 Å²	34	35%	0.35	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-12.2	178.4	-68	-62.5	124.9	0	0	113.3	R475 N485 S489	R475-E487 WeakPolarHBondContact CD-O 3.36Å; R475-E487 IonicContact CZ-OE2 3.32Å; R475-E487 PolarHBondContact NH1-O 3.05Å; R475-E487 IonicContact NH1-OE2 3.58Å; R475-E487 PolarHBondContact NH1-OE2 3.38Å; R475-E487 IonicContact NH2-OE2 2.75Å; N485-E487 VanDerWaalsContact C-N 3.26Å; N485-E487 PolarHBondContact O-N 3.15Å; N485-E487 VanDerWaalsContact OD1-CB 3.31Å; N485-E487 WeakPolarHBondContact OD1-CB 3.4Å; N485-E487 PolarHBondContact OD1-N 2.65Å; E487-S489 PolarHBondContact O-N 2.96Å
488	R	96.7	Very high	94.7	Very high	40 Å²	40	33.9 Å²	33.9	15%	0.151	17%	0.172	C	C	.	.			trans	-68.4	130.1	179.3	-62.6	-178.4	-172.1	-174	-0.7	111.1	R372 R475 D480 S482	R372-R488 WeakPolarHBondContact CD-O 3.25Å; R372-R488 PolarHBondContact NH1-O 2.84Å; R475-R488 CarbonylContact O-C 3.4Å; R475-R488 VanDerWaalsContact O-CA 3.24Å; R475-R488 WeakPolarHBondContact O-CA 3.3Å; D480-R488 PolarHBondContact O-NH2 3.44Å; D480-R488 IonicContact OD1-NH2 2.83Å; D480-R488 IonicContact OD2-CZ 3.67Å; D480-R488 IonicContact OD2-NE 3.41Å; D480-R488 IonicContact OD2-NH2 2.7Å; D480-R488 PolarHBondContact OD2-NH2 3.32Å; S482-R488 PolarHBondContact O-NH2 2.83Å
489	S	98.1	Very high	94.8	Very high	6 Å²	6	33.7 Å²	33.7	4%	0.042	17%	0.172	C	C	.	.			trans	-163.5	141.5	178.7	-169.5	0	0	0	0	111.9	I368 R475 E487 L491	I368-S489 WeakPolarHBondContact CA-OG 3.05Å; I368-S489 WeakPolarHBondContact O-CB 3.34Å; I368-S489 PolarHBondContact O-OG 3.2Å; R475-S489 PolarHBondContact O-N 3.06Å; E487-S489 PolarHBondContact O-N 2.96Å; S489-L491 PolarHBondContact O-N 3.27Å
490	P	97.9	Very high	95	Very high	12 Å²	12	34 Å²	34	8%	0.078	17%	0.171	C	C	.	.			trans	-87.3	44.9	-171.8	38.5	-38.8	0	0	0	112.8	I371 L375 W400 F492 V493 Q494	I371-P490 HydrophobicContact CG2-CG 3.9Å; L375-P490 HydrophobicContact CB-CG 3.78Å; L375-P490 HydrophobicContact CD2-CB 3.36Å; L375-P490 HydrophobicContact CD2-CG 3.48Å; L375-P490 VanDerWaalsContact CD2-CG 3.48Å; L375-P490 HydrophobicContact CG-CG 4.23Å; W400-P490 HydrophobicContact CH2-CG 4.16Å; W400-P490 HydrophobicContact CZ3-CG 4.14Å; P490-F492 PolarHBondContact O-N 3.06Å; P490-V493 HydrophobicContact CB-CB 4.01Å; P490-V493 HydrophobicContact CB-CG2 3.97Å; P490-V493 WeakPolarHBondContact O-CB 3.45Å; P490-V493 PolarHBondContact O-N 2.84Å; P490-Q494 PolarHBondContact O-N 2.82Å
491	L	98.6	Very high	95.2	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.01	16%	0.164	C	C	.	.	H	α-helix	trans	-66.1	-39.3	-175	-64.5	175.2	0	0	0	113.2	I368 I371 D434 Q438 S489 V493 Q494 F495	I368-L491 HydrophobicContact CG2-CD1 3.9Å; I371-L491 HydrophobicContact CB-CD2 4.29Å; I371-L491 HydrophobicContact CG1-CD2 4.17Å; I371-L491 HydrophobicContact CG2-CD2 4.24Å; D434-L491 HydrophobicContact CB-CD1 3.47Å; D434-L491 VanDerWaalsContact CB-CD1 3.47Å; D434-L491 WeakPolarHBondContact OD1-CD1 3.33Å; Q438-L491 PolarHBondContact NE2-O 3.07Å; S489-L491 PolarHBondContact O-N 3.27Å; L491-V493 VanDerWaalsContact C-N 3.33Å; L491-Q494 WeakPolarHBondContact O-CB 3.37Å; L491-Q494 PolarHBondContact O-N 3.06Å; L491-F495 PolarHBondContact O-N 2.99Å
492	F	98.9	Very high	95.5	Very high	1 Å²	1	28.9 Å²	28.9	0%	0.004	15%	0.147	C	C	.	.	H	α-helix	trans	-67.4	-36.2	174.1	-169.9	-112.2	0	0	0	111.6	L461 W465 F472 P490 F495 I496 I520 L521 L524 F532	L461-F492 HydrophobicContact CD1-CZ 3.99Å; L461-F492 HydrophobicContact CD2-CE2 3.99Å; L461-F492 HydrophobicContact CD2-CZ 4.15Å; W465-F492 AromaticContact CD2-CD2 3.59Å; W465-F492 HydrophobicContact CD2-CD2 3.59Å; W465-F492 AromaticContact CD2-CE2 3.78Å; W465-F492 HydrophobicContact CD2-CE2 3.78Å; W465-F492 AromaticContact CE2-CD2 3.91Å; W465-F492 AromaticContact CE3-CD2 3.44Å; W465-F492 HydrophobicContact CE3-CD2 3.44Å; W465-F492 VanDerWaalsContact CE3-CD2 3.44Å; W465-F492 HydrophobicContact CE3-CE2 4.09Å; W465-F492 HydrophobicContact CE3-CG 4.41Å; W465-F492 HydrophobicContact CG-CD2 4.25Å; W465-F492 AromaticContact CG-CE2 3.99Å; W465-F492 HydrophobicContact CG-CE2 3.99Å; W465-F492 HydrophobicContact CH2-CB 4.46Å; W465-F492 AromaticContact CH2-CD2 3.9Å; W465-F492 HydrophobicContact CH2-CD2 3.9Å; W465-F492 HydrophobicContact CZ2-CD2 4.09Å; W465-F492 HydrophobicContact CZ3-CB 4.03Å; W465-F492 AromaticContact CZ3-CD2 3.6Å; W465-F492 HydrophobicContact CZ3-CD2 3.6Å; W465-F492 HydrophobicContact CZ3-CG 4.32Å; F472-F492 HydrophobicContact CE1-CB 4.14Å; F472-F492 AromaticContact CE1-CD1 3.88Å; F472-F492 HydrophobicContact CE1-CD1 3.88Å; F472-F492 AromaticContact CE1-CD2 3.87Å; F472-F492 HydrophobicContact CE1-CD2 3.87Å; F472-F492 HydrophobicContact CE1-CE1 4.2Å; F472-F492 HydrophobicContact CE1-CE2 4.19Å; F472-F492 AromaticContact CE1-CG 3.69Å; F472-F492 HydrophobicContact CE1-CG 3.69Å; F472-F492 HydrophobicContact CE1-CZ 4.34Å; F472-F492 AromaticContact CZ-CD2 3.92Å; F472-F492 HydrophobicContact CZ-CD2 3.92Å; F472-F492 AromaticContact CZ-CE2 3.98Å; F472-F492 HydrophobicContact CZ-CE2 3.98Å; F472-F492 HydrophobicContact CZ-CG 4.23Å; F472-F492 HydrophobicContact CZ-CZ 4.35Å; P490-F492 PolarHBondContact O-N 3.06Å; F492-F495 HydrophobicContact CD2-CD1 4.09Å; F492-F495 AromaticContact CE2-CD1 3.96Å; F492-F495 HydrophobicContact CE2-CD1 3.96Å; F492-F495 HydrophobicContact CE2-CE1 4.26Å; F492-F495 WeakPolarHBondContact O-CB 3.31Å; F492-F495 PolarHBondContact O-N 2.72Å; F492-I496 HydrophobicContact CD1-CG1 4.26Å; F492-I496 HydrophobicContact CE1-CD1 4.27Å; F492-I496 HydrophobicContact CE1-CG1 3.98Å; F492-I496 HydrophobicContact CE2-CD1 4.47Å; F492-I496 HydrophobicContact CZ-CD1 4.01Å; F492-I496 HydrophobicContact CZ-CG1 4.16Å; F492-I496 WeakPolarHBondContact O-CG1 3.49Å; F492-I496 PolarHBondContact O-N 3.02Å; F492-I520 HydrophobicContact CE1-CG2 3.67Å; F492-I520 HydrophobicContact CZ-CG2 4.06Å; F492-L521 HydrophobicContact CD1-CD2 4.37Å; F492-L524 HydrophobicContact CD1-CD1 3.8Å; F492-L524 HydrophobicContact CD1-CD2 3.88Å; F492-L524 HydrophobicContact CD1-CG 4.37Å; F492-L524 HydrophobicContact CE1-CD1 4.31Å; F492-F532 HydrophobicContact CE1-CE1 4.07Å; F492-F532 HydrophobicContact CE1-CZ 4.05Å; F492-F532 AromaticContact CZ-CE1 3.88Å; F492-F532 HydrophobicContact CZ-CE1 3.88Å; F492-F532 HydrophobicContact CZ-CZ 4.04Å
493	V	98.8	Very high	95.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62.4	-44.8	173.2	-175.5	0	0	0	0	110.5	P490 L491 F495 I496 D497 L521 L524 Y525 Y591 Y592	P490-V493 HydrophobicContact CB-CB 4.01Å; P490-V493 HydrophobicContact CB-CG2 3.97Å; P490-V493 WeakPolarHBondContact O-CB 3.45Å; P490-V493 PolarHBondContact O-N 2.84Å; L491-V493 VanDerWaalsContact C-N 3.33Å; V493-F495 VanDerWaalsContact C-N 3.3Å; V493-F495 PolarHBondContact O-N 2.8Å; V493-I496 PolarHBondContact O-N 3.46Å; V493-D497 WeakPolarHBondContact O-CB 3.02Å; V493-D497 PolarHBondContact O-N 3.07Å; V493-L521 HydrophobicContact CB-CD2 4.45Å; V493-L521 HydrophobicContact CG1-CD1 4.34Å; V493-L521 HydrophobicContact CG2-CD2 4.22Å; V493-L524 HydrophobicContact CG2-CD2 4.15Å; V493-Y525 WeakPolarHBondContact CG2-OH 3.49Å; V493-Y591 HydrophobicContact CG1-CE1 3.83Å; V493-Y592 HydrophobicContact CG1-CE1 4.31Å
494	Q	98.7	Very high	96.7	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.4	-41	176.2	-169.7	-172.6	25.8	0	0	111.6	W400 Y403 L404 L407 P490 L491 D497 C498	W400-Q494 HydrophobicContact CH2-CB 3.93Å; W400-Q494 HydrophobicContact CH2-CG 4.3Å; W400-Q494 HydrophobicContact CZ2-CB 4.19Å; W400-Q494 HydrophobicContact CZ2-CG 4.4Å; Y403-Q494 PolarHBondContact O-NE2 2.66Å; L404-Q494 HydrophobicContact CD2-CG 3.59Å; L407-Q494 HydrophobicContact CD2-CG 4.05Å; P490-Q494 PolarHBondContact O-N 2.82Å; L491-Q494 WeakPolarHBondContact O-CB 3.37Å; L491-Q494 PolarHBondContact O-N 3.06Å; Q494-D497 PolarHBondContact O-N 2.82Å; Q494-C498 PolarHBondContact O-N 3.24Å; Q494-C498 PolarHBondContact O-SG 2.85Å; Q494-C498 VanDerWaalsContact O-SG 3.41Å
495	F	98.9	Very high	97.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-62.8	-49.6	174.7	162.4	-103.9	0	0	0	112.2	Q438 S441 L442 L445 F457 L460 L461 W465 L491 F492 V493 D497 C498 V499	Q438-F495 HydrophobicContact CG-CB 4.3Å; S441-F495 VanDerWaalsContact CB-CE2 3.48Å; L442-F495 HydrophobicContact CD1-CD2 4.46Å; L442-F495 HydrophobicContact CD2-CD2 3.93Å; L442-F495 HydrophobicContact CD2-CE2 3.91Å; L442-F495 HydrophobicContact CG-CD2 3.84Å; L442-F495 HydrophobicContact CG-CE2 3.97Å; L445-F495 HydrophobicContact CD1-CE2 4.2Å; L445-F495 HydrophobicContact CD1-CZ 4.19Å; F457-F495 HydrophobicContact CE2-CZ 4.24Å; F457-F495 HydrophobicContact CZ-CE1 4.04Å; F457-F495 HydrophobicContact CZ-CZ 4.16Å; L460-F495 HydrophobicContact CD2-CZ 4.44Å; L461-F495 HydrophobicContact CD2-CE1 3.54Å; L461-F495 HydrophobicContact CD2-CZ 4.09Å; W465-F495 AromaticContact CE2-CD1 3.83Å; W465-F495 AromaticContact CE2-CG 3.93Å; W465-F495 HydrophobicContact CH2-CB 3.67Å; W465-F495 HydrophobicContact CH2-CD1 4.42Å; W465-F495 HydrophobicContact CH2-CG 4.06Å; W465-F495 HydrophobicContact CZ2-CB 3.39Å; W465-F495 AromaticContact CZ2-CD1 3.6Å; W465-F495 HydrophobicContact CZ2-CD1 3.6Å; W465-F495 AromaticContact CZ2-CD2 3.74Å; W465-F495 HydrophobicContact CZ2-CD2 3.74Å; W465-F495 HydrophobicContact CZ2-CE1 4.31Å; W465-F495 HydrophobicContact CZ2-CE2 4.43Å; W465-F495 AromaticContact CZ2-CG 3.27Å; W465-F495 HydrophobicContact CZ2-CG 3.27Å; W465-F495 AromaticContact NE1-CD1 3.92Å; W465-F495 AromaticContact NE1-CE1 3.76Å; W465-F495 AromaticContact NE1-CZ 3.87Å; L491-F495 PolarHBondContact O-N 2.99Å; F492-F495 HydrophobicContact CD2-CD1 4.09Å; F492-F495 AromaticContact CE2-CD1 3.96Å; F492-F495 HydrophobicContact CE2-CD1 3.96Å; F492-F495 HydrophobicContact CE2-CE1 4.26Å; F492-F495 WeakPolarHBondContact O-CB 3.31Å; F492-F495 PolarHBondContact O-N 2.72Å; V493-F495 VanDerWaalsContact C-N 3.3Å; V493-F495 PolarHBondContact O-N 2.8Å; F495-D497 VanDerWaalsContact C-N 3.27Å; F495-D497 PolarHBondContact O-N 3.19Å; F495-C498 WeakPolarHBondContact O-CB 3.18Å; F495-C498 PolarHBondContact O-N 3.46Å; F495-C498 VanDerWaalsContact O-N 3.11Å; F495-V499 HydrophobicContact CD2-CG2 4.31Å; F495-V499 HydrophobicContact CE1-CG2 4.13Å; F495-V499 HydrophobicContact CE2-CG2 3.81Å; F495-V499 HydrophobicContact CZ-CG2 3.71Å; F495-V499 WeakPolarHBondContact O-CG2 3.17Å; F495-V499 PolarHBondContact O-N 3.34Å
496	I	98.9	Very high	97.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-63.7	-34.4	179.5	-62	-64.8	0	0	0	111.3	F457 F492 V493 V499 W500 L517 I520 L521 W588	F457-I496 HydrophobicContact CE1-CD1 4.13Å; F457-I496 HydrophobicContact CZ-CD1 3.93Å; F492-I496 HydrophobicContact CD1-CG1 4.26Å; F492-I496 HydrophobicContact CE1-CD1 4.27Å; F492-I496 HydrophobicContact CE1-CG1 3.98Å; F492-I496 HydrophobicContact CE2-CD1 4.47Å; F492-I496 HydrophobicContact CZ-CD1 4.01Å; F492-I496 HydrophobicContact CZ-CG1 4.16Å; F492-I496 WeakPolarHBondContact O-CG1 3.49Å; F492-I496 PolarHBondContact O-N 3.02Å; V493-I496 PolarHBondContact O-N 3.46Å; I496-V499 WeakPolarHBondContact O-CB 3.44Å; I496-V499 PolarHBondContact O-N 2.77Å; I496-W500 PolarHBondContact O-N 3.04Å; I496-L517 HydrophobicContact CG2-CB 3.83Å; I496-L517 HydrophobicContact CG2-CD2 4.19Å; I496-L517 HydrophobicContact CG2-CG 4.43Å; I496-I520 HydrophobicContact CD1-CG2 4.24Å; I496-L521 HydrophobicContact CB-CD1 4.18Å; I496-L521 HydrophobicContact CB-CD2 3.96Å; I496-L521 HydrophobicContact CB-CG 4.24Å; I496-L521 HydrophobicContact CG1-CD2 3.85Å; I496-L521 HydrophobicContact CG1-CG 4.42Å; I496-L521 HydrophobicContact CG2-CD1 3.82Å; I496-L521 HydrophobicContact CG2-CD2 4.22Å; I496-L521 HydrophobicContact CG2-CG 3.94Å; I496-W588 HydrophobicContact CG2-CH2 3.85Å; I496-W588 HydrophobicContact CG2-CZ3 3.87Å
497	D	98.9	Very high	98	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-61.9	-48.7	170.8	-169.8	-21.2	0	0	0	110.7	W400 L404 V493 Q494 F495 V499 W500 Q501 W588 Y592	W400-D497 PolarHBondContact NE1-OD2 3.12Å; L404-D497 HydrophobicContact CD1-CB 4.37Å; L404-D497 VanDerWaalsContact CD1-CG 3.43Å; L404-D497 WeakPolarHBondContact CD1-OD1 3.42Å; L404-D497 WeakPolarHBondContact CD1-OD2 3.46Å; L404-D497 HydrophobicContact CD2-CB 3.9Å; V493-D497 WeakPolarHBondContact O-CB 3.02Å; V493-D497 PolarHBondContact O-N 3.07Å; Q494-D497 PolarHBondContact O-N 2.82Å; F495-D497 VanDerWaalsContact C-N 3.27Å; F495-D497 PolarHBondContact O-N 3.19Å; D497-V499 PolarHBondContact O-N 3.22Å; D497-W500 CarbonylContact O-C 3.54Å; D497-W500 WeakPolarHBondContact O-CA 3.33Å; D497-W500 WeakPolarHBondContact O-CB 3.37Å; D497-W500 PolarHBondContact O-N 3.32Å; D497-Q501 WeakPolarHBondContact O-CG 3.3Å; D497-Q501 PolarHBondContact O-N 3.27Å; D497-Q501 PolarHBondContact OD1-NE2 3.03Å; D497-W588 HydrophobicContact CB-CE3 4.19Å; D497-Y592 VanDerWaalsContact OD2-CE2 3.27Å; D497-Y592 WeakPolarHBondContact OD2-CE2 3.33Å; D497-Y592 PolarHBondContact OD2-OH 3.43Å
498	C	98.9	Very high	98.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-55.8	-37.7	173.3	-72.4	0	0	0	0	113.2	L408 L442 Q494 F495 Q501 M502	L408-C498 HydrophobicContact CD2-CB 3.85Å; L408-C498 HydrophobicContact CG-CB 4.06Å; L442-C498 HydrophobicContact CD1-CB 3.91Å; L442-C498 HydrophobicContact CD2-CB 3.72Å; L442-C498 HydrophobicContact CG-CB 4.47Å; Q494-C498 PolarHBondContact O-N 3.24Å; Q494-C498 PolarHBondContact O-SG 2.85Å; Q494-C498 VanDerWaalsContact O-SG 3.41Å; F495-C498 WeakPolarHBondContact O-CB 3.18Å; F495-C498 PolarHBondContact O-N 3.46Å; F495-C498 VanDerWaalsContact O-N 3.11Å; C498-Q501 PolarHBondContact O-N 2.73Å; C498-M502 PolarHBondContact O-N 3.49Å
499	V	98.9	Very high	98.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-64	-45.2	172.9	178.4	0	0	0	0	110.7	L442 L445 F457 F495 I496 D497 Q501 M502 T503 F512 L517	L442-V499 HydrophobicContact CD2-CG2 4.19Å; L445-V499 HydrophobicContact CD1-CG2 3.67Å; F457-V499 HydrophobicContact CE2-CB 4.46Å; F457-V499 HydrophobicContact CE2-CG1 3.79Å; F457-V499 HydrophobicContact CE2-CG2 3.91Å; F457-V499 HydrophobicContact CZ-CB 4.48Å; F457-V499 HydrophobicContact CZ-CG1 4.04Å; F457-V499 HydrophobicContact CZ-CG2 4.04Å; F495-V499 HydrophobicContact CD2-CG2 4.31Å; F495-V499 HydrophobicContact CE1-CG2 4.13Å; F495-V499 HydrophobicContact CE2-CG2 3.81Å; F495-V499 HydrophobicContact CZ-CG2 3.71Å; F495-V499 WeakPolarHBondContact O-CG2 3.17Å; F495-V499 PolarHBondContact O-N 3.34Å; I496-V499 WeakPolarHBondContact O-CB 3.44Å; I496-V499 PolarHBondContact O-N 2.77Å; D497-V499 PolarHBondContact O-N 3.22Å; V499-Q501 VanDerWaalsContact C-N 3.34Å; V499-Q501 PolarHBondContact O-N 3.1Å; V499-M502 HydrophobicContact CG2-CE 4.33Å; V499-M502 WeakPolarHBondContact O-CB 3.31Å; V499-M502 PolarHBondContact O-N 3.3Å; V499-M502 VanDerWaalsContact O-N 3.1Å; V499-T503 HydrophobicContact CG1-CG2 4.42Å; V499-T503 VanDerWaalsContact O-CG2 3.3Å; V499-T503 WeakPolarHBondContact O-CG2 3.46Å; V499-T503 PolarHBondContact O-N 2.89Å; V499-F512 HydrophobicContact CG1-CE2 3.91Å; V499-F512 HydrophobicContact CG1-CZ 3.93Å; V499-L517 HydrophobicContact CG1-CD1 4.18Å; V499-L517 HydrophobicContact CG1-CD2 4.08Å
500	W	98.8	Very high	98.2	Very high	9 Å²	9	18.4 Å²	18.4	3%	0.034	10%	0.095	C	C	.	.	H	α-helix	trans	-58.9	-42.1	174.4	178.1	87.5	0	0	0	112.1	I496 D497 M502 T503 R504 E514 L517 E586 W588	I496-W500 PolarHBondContact O-N 3.04Å; D497-W500 CarbonylContact O-C 3.54Å; D497-W500 WeakPolarHBondContact O-CA 3.33Å; D497-W500 WeakPolarHBondContact O-CB 3.37Å; D497-W500 PolarHBondContact O-N 3.32Å; W500-M502 VanDerWaalsContact C-N 3.26Å; W500-M502 PolarHBondContact O-N 3.22Å; W500-T503 PolarHBondContact O-N 2.77Å; W500-T503 VanDerWaalsContact O-N 3.1Å; W500-T503 PolarHBondContact O-OG1 2.81Å; W500-R504 HydrophobicContact CD2-CG 3.95Å; W500-R504 HydrophobicContact CE3-CG 4.18Å; W500-R504 HydrophobicContact CH2-CG 3.96Å; W500-R504 HydrophobicContact CZ2-CG 3.74Å; W500-R504 HydrophobicContact CZ3-CG 4.17Å; W500-R504 WeakPolarHBondContact O-CG 3.35Å; W500-R504 PolarHBondContact O-N 3.49Å; W500-E514 PolarHBondContact NE1-OE1 3.37Å; W500-L517 HydrophobicContact CB-CD1 3.94Å; W500-E586 HydrophobicContact CH2-CB 3.72Å; W500-E586 HydrophobicContact CZ3-CB 3.9Å; W500-E586 WeakPolarHBondContact CZ3-O 3.42Å; W500-W588 HydrophobicContact CB-CD2 4.1Å; W500-W588 HydrophobicContact CB-CE3 4Å; W500-W588 HydrophobicContact CB-CH2 4.18Å; W500-W588 HydrophobicContact CB-CZ2 4.24Å; W500-W588 HydrophobicContact CB-CZ3 4.05Å; W500-W588 AromaticContact CD1-CD1 3.9Å; W500-W588 AromaticContact CD1-CD2 3.9Å; W500-W588 AromaticContact CD1-CE2 3.37Å; W500-W588 AromaticContact CD1-CZ2 3.66Å; W500-W588 AromaticContact CD1-NE1 3.39Å; W500-W588 HydrophobicContact CD2-CB 3.98Å; W500-W588 AromaticContact CD2-CD1 3.71Å; W500-W588 AromaticContact CD2-CD2 3.81Å; W500-W588 HydrophobicContact CD2-CD2 3.81Å; W500-W588 HydrophobicContact CD2-CE3 4.43Å; W500-W588 AromaticContact CD2-CG 3.59Å; W500-W588 HydrophobicContact CD2-CG 3.59Å; W500-W588 AromaticContact CD2-NE1 4Å; W500-W588 AromaticContact CE2-CD1 3.25Å; W500-W588 AromaticContact CE2-CG 3.64Å; W500-W588 AromaticContact CE2-NE1 3.56Å; W500-W588 HydrophobicContact CE3-CB 3.73Å; W500-W588 HydrophobicContact CE3-CD2 4.33Å; W500-W588 AromaticContact CE3-CG 3.89Å; W500-W588 HydrophobicContact CE3-CG 3.89Å; W500-W588 AromaticContact CG-CD2 3.68Å; W500-W588 HydrophobicContact CG-CD2 3.68Å; W500-W588 AromaticContact CG-CE2 3.64Å; W500-W588 HydrophobicContact CG-CE3 4.09Å; W500-W588 AromaticContact CG-CG 4Å; W500-W588 HydrophobicContact CG-CG 4Å; W500-W588 HydrophobicContact CG-CH2 4.44Å; W500-W588 HydrophobicContact CG-CZ2 4.02Å; W500-W588 HydrophobicContact CG-CZ3 4.47Å; W500-W588 AromaticContact CG-NE1 3.91Å; W500-W588 HydrophobicContact CH2-CB 4.01Å; W500-W588 HydrophobicContact CH2-CG 4.3Å; W500-W588 HydrophobicContact CZ2-CB 4.21Å; W500-W588 AromaticContact CZ2-CD1 3.52Å; W500-W588 AromaticContact CZ2-CG 4Å; W500-W588 HydrophobicContact CZ2-CG 4Å; W500-W588 HydrophobicContact CZ3-CB 3.76Å; W500-W588 HydrophobicContact CZ3-CG 4.24Å; W500-W588 AromaticContact NE1-CD1 3.36Å; W500-W588 AromaticContact NE1-CE2 3.64Å; W500-W588 AromaticContact NE1-CG 3.99Å; W500-W588 AromaticContact NE1-NE1 3.12Å; W500-W588 VanDerWaalsContact NE1-NE1 3.12Å
501	Q	98.8	Very high	98.2	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-56.5	-41.6	173.9	-58.1	-63.5	-28.7	0	0	111.4	L404 L408 D497 C498 V499 R504 Q505 L585 E586	L404-Q501 HydrophobicContact CD1-CG 4.49Å; L408-Q501 HydrophobicContact CD1-CB 4.16Å; L408-Q501 HydrophobicContact CD1-CG 4.39Å; D497-Q501 WeakPolarHBondContact O-CG 3.3Å; D497-Q501 PolarHBondContact O-N 3.27Å; D497-Q501 PolarHBondContact OD1-NE2 3.03Å; C498-Q501 PolarHBondContact O-N 2.73Å; V499-Q501 VanDerWaalsContact C-N 3.34Å; V499-Q501 PolarHBondContact O-N 3.1Å; Q501-R504 PolarHBondContact O-N 3.36Å; Q501-Q505 WeakPolarHBondContact O-CG 3.4Å; Q501-Q505 PolarHBondContact O-N 3.29Å; Q501-L585 HydrophobicContact CB-CD2 4.12Å; Q501-L585 HydrophobicContact CG-CD2 4.04Å; Q501-E586 PolarHBondContact NE2-O 2.86Å
502	M	98.6	Very high	98.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-68.3	-38.4	176.3	-66.4	-172	-66.6	0	0	112.3	L408 L442 L445 M446 C498 V499 W500 R504 Q505 F506 F510 P578	L408-M502 HydrophobicContact CD2-CG 4.3Å; L408-M502 HydrophobicContact CD2-SD 4.48Å; L442-M502 HydrophobicContact CD2-CE 3.63Å; L445-M502 HydrophobicContact CB-CE 4.07Å; L445-M502 HydrophobicContact CD1-CE 3.95Å; M446-M502 HydrophobicContact CE-SD 3.92Å; M446-M502 HydrophobicContact CG-SD 4.16Å; C498-M502 PolarHBondContact O-N 3.49Å; V499-M502 HydrophobicContact CG2-CE 4.33Å; V499-M502 WeakPolarHBondContact O-CB 3.31Å; V499-M502 PolarHBondContact O-N 3.3Å; V499-M502 VanDerWaalsContact O-N 3.1Å; W500-M502 VanDerWaalsContact C-N 3.26Å; W500-M502 PolarHBondContact O-N 3.22Å; M502-R504 VanDerWaalsContact C-N 3.26Å; M502-R504 PolarHBondContact O-N 2.87Å; M502-Q505 PolarHBondContact O-N 3.13Å; M502-F506 HydrophobicContact CB-CD2 4.46Å; M502-F506 WeakPolarHBondContact O-CB 3.46Å; M502-F506 WeakPolarHBondContact O-CD2 3.45Å; M502-F506 PolarHBondContact O-N 2.88Å; M502-F510 HydrophobicContact CB-CE2 3.9Å; M502-F510 HydrophobicContact CB-CZ 3.7Å; M502-F510 HydrophobicContact CE-CZ 4.35Å; M502-P578 HydrophobicContact CG-CB 4.34Å; M502-P578 HydrophobicContact CG-CG 4.31Å
503	T	98.1	Very high	98.1	Very high	25 Å²	25	20.8 Å²	20.8	15%	0.153	11%	0.105	C	C	.	.	H	α-helix	trans	-67	-29.1	176.7	73.4	0	0	0	0	112.3	V499 W500 F506 P507 F510 F512 L517	V499-T503 HydrophobicContact CG1-CG2 4.42Å; V499-T503 VanDerWaalsContact O-CG2 3.3Å; V499-T503 WeakPolarHBondContact O-CG2 3.46Å; V499-T503 PolarHBondContact O-N 2.89Å; W500-T503 PolarHBondContact O-N 2.77Å; W500-T503 VanDerWaalsContact O-N 3.1Å; W500-T503 PolarHBondContact O-OG1 2.81Å; T503-F506 CarbonylContact O-C 3.58Å; T503-P507 WeakPolarHBondContact O-CA 3.47Å; T503-F510 HydrophobicContact CG2-CB 4.13Å; T503-F510 HydrophobicContact CG2-CD1 4.23Å; T503-F510 HydrophobicContact CG2-CD2 3.76Å; T503-F510 HydrophobicContact CG2-CE2 4.19Å; T503-F510 HydrophobicContact CG2-CG 3.78Å; T503-F512 HydrophobicContact CG2-CE2 4.02Å; T503-L517 HydrophobicContact CG2-CD1 4.42Å
504	R	97.6	Very high	98.1	Very high	116 Å²	116	22.9 Å²	22.9	44%	0.438	12%	0.115	S	C	.	.	H	α-helix	trans	-67.5	-42.4	172.3	-67	-64.1	-60.7	126.9	11.2	112.3	W500 Q501 M502 E586	W500-R504 HydrophobicContact CD2-CG 3.95Å; W500-R504 HydrophobicContact CE3-CG 4.18Å; W500-R504 HydrophobicContact CH2-CG 3.96Å; W500-R504 HydrophobicContact CZ2-CG 3.74Å; W500-R504 HydrophobicContact CZ3-CG 4.17Å; W500-R504 WeakPolarHBondContact O-CG 3.35Å; W500-R504 PolarHBondContact O-N 3.49Å; Q501-R504 PolarHBondContact O-N 3.36Å; M502-R504 VanDerWaalsContact C-N 3.26Å; M502-R504 PolarHBondContact O-N 2.87Å; R504-E586 IonicContact CZ-OE1 2.77Å; R504-E586 IonicContact NE-OE1 2.92Å; R504-E586 IonicContact NE-OE2 2.99Å; R504-E586 IonicContact NH2-OE1 3.3Å; R504-E586 PolarHBondContact NH2-OE1 3.07Å; R504-E586 VanDerWaalsContact NH2-OE1 3.14Å; R504-E586 IonicContact NH2-OE2 3.6Å
505	Q	97.7	Very high	98	Very high	45 Å²	45	24.9 Å²	24.9	21%	0.21	13%	0.126	C	C	.	.	H	α-helix	trans	-79.9	-28.3	-178.9	-64.6	-175.9	26.5	0	0	113.1	Q501 M502 P507 L579 H584	Q501-Q505 WeakPolarHBondContact O-CG 3.4Å; Q501-Q505 PolarHBondContact O-N 3.29Å; M502-Q505 PolarHBondContact O-N 3.13Å; Q505-P507 WeakPolarHBondContact O-CD 2.89Å; Q505-L579 PolarHBondContact NE2-O 3.42Å; Q505-H584 PolarHBondContact NE2-O 3.21Å
506	F	97.2	Very high	97.9	Very high	51 Å²	51	24.9 Å²	24.9	22%	0.224	13%	0.126	C	C	.	.			trans	-125.4	70.6	-178.6	-53.4	-74.5	0	0	0	111.4	M502 T503 S508 A509 F510 L576 P578	M502-F506 HydrophobicContact CB-CD2 4.46Å; M502-F506 WeakPolarHBondContact O-CB 3.46Å; M502-F506 WeakPolarHBondContact O-CD2 3.45Å; M502-F506 PolarHBondContact O-N 2.88Å; T503-F506 CarbonylContact O-C 3.58Å; F506-S508 PolarHBondContact O-N 3.39Å; F506-A509 HydrophobicContact CB-CB 3.68Å; F506-A509 PolarHBondContact O-N 3.14Å; F506-F510 HydrophobicContact CB-CE2 4.33Å; F506-L576 HydrophobicContact CB-CD1 4.32Å; F506-L576 HydrophobicContact CD1-CD2 3.96Å; F506-L576 HydrophobicContact CD2-CB 4.32Å; F506-L576 HydrophobicContact CD2-CD1 4Å; F506-L576 HydrophobicContact CD2-CD2 4.46Å; F506-L576 HydrophobicContact CE1-CD2 4.23Å; F506-L576 HydrophobicContact CE2-CB 4.07Å; F506-L576 HydrophobicContact CG-CD1 4.14Å; F506-L576 HydrophobicContact CG-CD2 4.08Å; F506-L576 HydrophobicContact CZ-CB 4.28Å; F506-P578 HydrophobicContact CE2-CB 4.09Å
507	P	96.4	Very high	97.9	Very high	81 Å²	81	24.9 Å²	24.9	53%	0.526	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-17.4	-168.5	24.9	-35.6	0	0	0	115.2	T503 Q505 N565	T503-P507 WeakPolarHBondContact O-CA 3.47Å; Q505-P507 WeakPolarHBondContact O-CD 2.89Å; P507-N565 PolarHBondContact O-ND2 2.99Å
508	S	96.3	Very high	97.9	Very high	34 Å²	34	25.9 Å²	25.9	24%	0.238	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	-2.8	177.8	61	0	0	0	0	114.2	F506 F567 Y568 L569	F506-S508 PolarHBondContact O-N 3.39Å; S508-F567 VanDerWaalsContact CA-O 3.29Å; S508-F567 WeakPolarHBondContact CA-O 3.44Å; S508-F567 WeakPolarHBondContact CB-O 3.24Å; S508-Y568 WeakPolarHBondContact O-CA 3.42Å; S508-Y568 WeakPolarHBondContact O-CD2 3.37Å; S508-L569 PolarHBondContact O-N 3.26Å
509	A	97.4	Very high	97.9	Very high	9 Å²	9	26.4 Å²	26.4	7%	0.074	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-15	-170.9	0	0	0	0	0	114.2	R452 F506 Y568 L576	R452-A509 WeakPolarHBondContact CB-O 3.45Å; F506-A509 HydrophobicContact CB-CB 3.68Å; F506-A509 PolarHBondContact O-N 3.14Å; A509-Y568 WeakPolarHBondContact O-CE2 3.4Å; A509-L576 HydrophobicContact CB-CD1 3.82Å; A509-L576 HydrophobicContact CB-CD2 4.2Å
510	F	98.1	Very high	97.9	Very high	1 Å²	1	26.4 Å²	26.4	0%	0.004	13%	0.134	C	C	.	.			trans	-116.2	131.4	-177.8	-62	-93.8	0	0	0	110.5	L445 R452 M502 T503 F506 F512 N565 L576	L445-F510 HydrophobicContact CD2-CE1 4.36Å; R452-F510 HydrophobicContact CB-CD1 3.88Å; R452-F510 HydrophobicContact CB-CE1 4.25Å; R452-F510 HydrophobicContact CB-CG 4.48Å; R452-F510 HydrophobicContact CG-CD1 3.8Å; R452-F510 HydrophobicContact CG-CE1 3.64Å; R452-F510 HydrophobicContact CG-CZ 4.28Å; R452-F510 WeakPolarHBondContact O-CA 3.33Å; M502-F510 HydrophobicContact CB-CE2 3.9Å; M502-F510 HydrophobicContact CB-CZ 3.7Å; M502-F510 HydrophobicContact CE-CZ 4.35Å; T503-F510 HydrophobicContact CG2-CB 4.13Å; T503-F510 HydrophobicContact CG2-CD1 4.23Å; T503-F510 HydrophobicContact CG2-CD2 3.76Å; T503-F510 HydrophobicContact CG2-CE2 4.19Å; T503-F510 HydrophobicContact CG2-CG 3.78Å; F506-F510 HydrophobicContact CB-CE2 4.33Å; F510-F512 VanDerWaalsContact C-N 3.29Å; F510-F512 HydrophobicContact CB-CD2 4.5Å; F510-F512 HydrophobicContact CB-CE1 4.38Å; F510-F512 HydrophobicContact CB-CE2 4.21Å; F510-F512 HydrophobicContact CB-CZ 4.18Å; F510-F512 AromaticContact CD1-CE1 3.86Å; F510-F512 HydrophobicContact CD1-CE1 3.86Å; F510-F512 AromaticContact CD1-CE2 3.99Å; F510-F512 HydrophobicContact CD1-CE2 3.99Å; F510-F512 AromaticContact CD1-CZ 3.36Å; F510-F512 HydrophobicContact CD1-CZ 3.36Å; F510-F512 HydrophobicContact CE1-CZ 4.11Å; F510-F512 HydrophobicContact CG-CE2 4.39Å; F510-F512 HydrophobicContact CG-CZ 4.14Å; F510-N565 WeakPolarHBondContact O-CB 3.3Å; F510-N565 PolarHBondContact O-ND2 3.49Å; F510-L576 HydrophobicContact CE2-CD1 3.93Å; F510-L576 HydrophobicContact CZ-CD1 4Å
511	E	98.1	Very high	97.9	Very high	55 Å²	55	26 Å²	26	26%	0.257	13%	0.132	S	C	.	.	S	Bend	trans	-72.6	-26.7	178.8	-173.3	-179	-164.5	0	0	111.7	R452 T453 L454 T564 N565 Y568	R452-E511 PolarHBondContact O-N 2.7Å; T453-E511 VanDerWaalsContact CA-OE2 3.31Å; T453-E511 WeakPolarHBondContact CA-OE2 3.44Å; T453-E511 VanDerWaalsContact CB-OE2 3.24Å; T453-E511 WeakPolarHBondContact CB-OE2 3.36Å; L454-E511 HydrophobicContact CB-CG 4.25Å; L454-E511 PolarHBondContact N-OE2 2.93Å; E511-T564 HydrophobicContact CG-CG2 4.34Å; E511-T564 CarbonylContact O-C 3.33Å; E511-T564 VanDerWaalsContact O-CA 3.32Å; E511-T564 WeakPolarHBondContact O-CA 3.43Å; E511-N565 WeakPolarHBondContact O-CB 3.38Å; E511-N565 PolarHBondContact O-N 3.45Å; E511-Y568 VanDerWaalsContact CA-CG 3.45Å; E511-Y568 HydrophobicContact CB-CD1 3.67Å; E511-Y568 HydrophobicContact CB-CD2 4.05Å; E511-Y568 HydrophobicContact CB-CE1 3.79Å; E511-Y568 HydrophobicContact CB-CE2 4.16Å; E511-Y568 HydrophobicContact CB-CG 3.81Å; E511-Y568 HydrophobicContact CG-CD1 3.73Å; E511-Y568 HydrophobicContact CG-CE1 4.04Å; E511-Y568 HydrophobicContact CG-CG 4.21Å; E511-Y568 VanDerWaalsContact N-CD2 3.29Å
512	F	98.4	Very high	97.8	Very high	3 Å²	3	28.6 Å²	28.6	1%	0.013	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-91.7	152.1	179.6	54.8	-98.6	0	0	0	112.4	L454 F457 V499 T503 F510 F516 L517 F563	L454-F512 HydrophobicContact CD1-CB 3.85Å; F457-F512 HydrophobicContact CB-CD1 3.96Å; F457-F512 HydrophobicContact CB-CE1 3.56Å; F457-F512 HydrophobicContact CB-CZ 4.37Å; F457-F512 HydrophobicContact CD1-CE1 4.45Å; F457-F512 AromaticContact CD2-CE1 3.59Å; F457-F512 HydrophobicContact CD2-CE1 3.59Å; F457-F512 AromaticContact CD2-CZ 3.57Å; F457-F512 HydrophobicContact CD2-CZ 3.57Å; F457-F512 HydrophobicContact CE2-CE1 4.39Å; F457-F512 AromaticContact CE2-CZ 3.92Å; F457-F512 HydrophobicContact CE2-CZ 3.92Å; F457-F512 HydrophobicContact CG-CD1 4.27Å; F457-F512 AromaticContact CG-CE1 3.62Å; F457-F512 HydrophobicContact CG-CE1 3.62Å; F457-F512 AromaticContact CG-CZ 3.93Å; F457-F512 HydrophobicContact CG-CZ 3.93Å; V499-F512 HydrophobicContact CG1-CE2 3.91Å; V499-F512 HydrophobicContact CG1-CZ 3.93Å; T503-F512 HydrophobicContact CG2-CE2 4.02Å; F510-F512 VanDerWaalsContact C-N 3.29Å; F510-F512 HydrophobicContact CB-CD2 4.5Å; F510-F512 HydrophobicContact CB-CE1 4.38Å; F510-F512 HydrophobicContact CB-CE2 4.21Å; F510-F512 HydrophobicContact CB-CZ 4.18Å; F510-F512 AromaticContact CD1-CE1 3.86Å; F510-F512 HydrophobicContact CD1-CE1 3.86Å; F510-F512 AromaticContact CD1-CE2 3.99Å; F510-F512 HydrophobicContact CD1-CE2 3.99Å; F510-F512 AromaticContact CD1-CZ 3.36Å; F510-F512 HydrophobicContact CD1-CZ 3.36Å; F510-F512 HydrophobicContact CE1-CZ 4.11Å; F510-F512 HydrophobicContact CG-CE2 4.39Å; F510-F512 HydrophobicContact CG-CZ 4.14Å; F512-F516 HydrophobicContact CB-CB 4.03Å; F512-F516 HydrophobicContact CB-CD1 3.4Å; F512-F516 HydrophobicContact CB-CE1 3.89Å; F512-F516 HydrophobicContact CB-CG 3.8Å; F512-F516 HydrophobicContact CD1-CD1 4.24Å; F512-F516 AromaticContact CD1-CE1 3.98Å; F512-F516 HydrophobicContact CD1-CE1 3.98Å; F512-F516 AromaticContact CD2-CD1 3.59Å; F512-F516 HydrophobicContact CD2-CD1 3.59Å; F512-F516 HydrophobicContact CD2-CE1 4.02Å; F512-F516 HydrophobicContact CE2-CD1 4.41Å; F512-F516 AromaticContact CG-CD1 3.47Å; F512-F516 HydrophobicContact CG-CD1 3.47Å; F512-F516 VanDerWaalsContact CG-CD1 3.47Å; F512-F516 AromaticContact CG-CE1 3.68Å; F512-F516 HydrophobicContact CG-CE1 3.68Å; F512-F516 HydrophobicContact CG-CG 4.35Å; F512-L517 HydrophobicContact CD2-CD2 3.99Å; F512-L517 HydrophobicContact CD2-CG 4.25Å; F512-L517 HydrophobicContact CE2-CD1 4.35Å; F512-L517 HydrophobicContact CE2-CD2 3.72Å; F512-L517 HydrophobicContact CE2-CG 4.22Å; F512-F563 CarbonylContact C-O 3.54Å; F512-F563 VanDerWaalsContact CA-O 3.22Å; F512-F563 WeakPolarHBondContact CA-O 3.49Å
513	N	97.6	Very high	97.8	Very high	7 Å²	7	29.3 Å²	29.3	4%	0.037	15%	0.15	C	C	.	.			trans	-100.6	-179.5	179.8	68.5	27.5	0	0	0	112.7	L515 F516 E562 F563 T564 N565 L609	N513-L515 VanDerWaalsContact C-N 3.31Å; N513-L515 PolarHBondContact O-N 3.06Å; N513-L515 WeakPolarHBondContact OD1-CB 3.25Å; N513-L515 PolarHBondContact OD1-N 3.12Å; N513-F516 WeakPolarHBondContact O-CB 3.25Å; N513-F516 PolarHBondContact O-N 3.38Å; N513-F516 PolarHBondContact OD1-N 2.95Å; N513-E562 PolarHBondContact ND2-O 2.64Å; N513-F563 VanDerWaalsContact CG-O 3.23Å; N513-F563 PolarHBondContact N-O 2.9Å; N513-F563 VanDerWaalsContact ND2-C 3.33Å; N513-F563 PolarHBondContact ND2-O 3.03Å; N513-F563 PolarHBondContact OD1-O 3.29Å; N513-T564 PolarHBondContact ND2-O 3.1Å; N513-N565 HydrophobicContact CB-CB 4.46Å; N513-L609 HydrophobicContact CB-CD1 3.69Å
514	E	96.8	Very high	97.9	Very high	43 Å²	43	28.2 Å²	28.2	20%	0.201	14%	0.143	C	C	.	.	H	α-helix	trans	-63	-33.9	179.8	-177.4	177.5	-137.4	0	0	113.3	W500 F516 L517 I518 W588 S590	W500-E514 PolarHBondContact NE1-OE1 3.37Å; E514-F516 VanDerWaalsContact C-N 3.27Å; E514-F516 PolarHBondContact O-N 2.94Å; E514-L517 PolarHBondContact O-N 2.98Å; E514-I518 HydrophobicContact CG-CD1 3.98Å; E514-I518 HydrophobicContact CG-CG1 4.39Å; E514-I518 WeakPolarHBondContact O-CG1 3.46Å; E514-I518 PolarHBondContact O-N 2.93Å; E514-W588 HydrophobicContact CG-CZ2 4.12Å; E514-W588 PolarHBondContact OE1-NE1 3.07Å; E514-S590 WeakPolarHBondContact OE1-CB 3.42Å; E514-S590 PolarHBondContact OE1-OG 3.49Å
515	L	96.8	Very high	97.9	Very high	43 Å²	43	23.2 Å²	23.2	23%	0.225	12%	0.124	C	C	.	.	H	α-helix	trans	-62.2	-37.4	179	177.1	66.5	0	0	0	111.2	N513 I518 T519 E562 F563 H606	N513-L515 VanDerWaalsContact C-N 3.31Å; N513-L515 PolarHBondContact O-N 3.06Å; N513-L515 WeakPolarHBondContact OD1-CB 3.25Å; N513-L515 PolarHBondContact OD1-N 3.12Å; L515-I518 PolarHBondContact O-N 3.31Å; L515-T519 VanDerWaalsContact O-CB 3.22Å; L515-T519 WeakPolarHBondContact O-CB 3.33Å; L515-T519 PolarHBondContact O-N 3.3Å; L515-T519 PolarHBondContact O-OG1 2.88Å; L515-E562 HydrophobicContact CD2-CB 4.44Å; L515-F563 HydrophobicContact CD2-CD1 4.37Å; L515-F563 HydrophobicContact CD2-CE1 4.16Å; L515-F563 HydrophobicContact CG-CD1 4.27Å; L515-F563 HydrophobicContact CG-CE1 4.07Å; L515-H606 HydrophobicContact CB-CB 3.89Å; L515-H606 HydrophobicContact CD2-CB 3.79Å; L515-H606 HydrophobicContact CG-CB 4.39Å
516	F	98.6	Very high	97.9	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-58.8	-47.6	175.1	171.8	-107.1	0	0	0	111.9	L454 F457 Q458 F512 N513 E514 T519 I520 W553 I556 F563	L454-F516 HydrophobicContact CD1-CD2 3.61Å; L454-F516 HydrophobicContact CD1-CE1 4.43Å; L454-F516 HydrophobicContact CD1-CE2 3.56Å; L454-F516 HydrophobicContact CD1-CG 4.09Å; L454-F516 HydrophobicContact CD1-CZ 3.97Å; F457-F516 HydrophobicContact CB-CE1 4.36Å; F457-F516 AromaticContact CD1-CE1 3.37Å; F457-F516 HydrophobicContact CD1-CE1 3.37Å; F457-F516 AromaticContact CD1-CZ 3.71Å; F457-F516 HydrophobicContact CD1-CZ 3.71Å; F457-F516 AromaticContact CE1-CE1 3.87Å; F457-F516 HydrophobicContact CE1-CE1 3.87Å; F457-F516 HydrophobicContact CE1-CZ 4.44Å; F457-F516 HydrophobicContact CG-CE1 4.07Å; F457-F516 HydrophobicContact CG-CZ 4.49Å; Q458-F516 HydrophobicContact CG-CE2 4.41Å; Q458-F516 HydrophobicContact CG-CZ 4.19Å; F512-F516 HydrophobicContact CB-CB 4.03Å; F512-F516 HydrophobicContact CB-CD1 3.4Å; F512-F516 HydrophobicContact CB-CE1 3.89Å; F512-F516 HydrophobicContact CB-CG 3.8Å; F512-F516 HydrophobicContact CD1-CD1 4.24Å; F512-F516 AromaticContact CD1-CE1 3.98Å; F512-F516 HydrophobicContact CD1-CE1 3.98Å; F512-F516 AromaticContact CD2-CD1 3.59Å; F512-F516 HydrophobicContact CD2-CD1 3.59Å; F512-F516 HydrophobicContact CD2-CE1 4.02Å; F512-F516 HydrophobicContact CE2-CD1 4.41Å; F512-F516 AromaticContact CG-CD1 3.47Å; F512-F516 HydrophobicContact CG-CD1 3.47Å; F512-F516 VanDerWaalsContact CG-CD1 3.47Å; F512-F516 AromaticContact CG-CE1 3.68Å; F512-F516 HydrophobicContact CG-CE1 3.68Å; F512-F516 HydrophobicContact CG-CG 4.35Å; N513-F516 WeakPolarHBondContact O-CB 3.25Å; N513-F516 PolarHBondContact O-N 3.38Å; N513-F516 PolarHBondContact OD1-N 2.95Å; E514-F516 VanDerWaalsContact C-N 3.27Å; E514-F516 PolarHBondContact O-N 2.94Å; F516-T519 PolarHBondContact O-N 2.98Å; F516-I520 HydrophobicContact CD1-CD1 4.03Å; F516-I520 HydrophobicContact CD2-CD1 4.35Å; F516-I520 HydrophobicContact CE1-CD1 3.57Å; F516-I520 HydrophobicContact CE2-CD1 3.88Å; F516-I520 HydrophobicContact CE2-CG1 4.48Å; F516-I520 HydrophobicContact CG-CD1 4.43Å; F516-I520 HydrophobicContact CZ-CD1 3.49Å; F516-I520 VanDerWaalsContact CZ-CD1 3.49Å; F516-I520 WeakPolarHBondContact O-CG1 3.37Å; F516-I520 PolarHBondContact O-N 3.15Å; F516-W553 HydrophobicContact CE2-CZ3 4.43Å; F516-I556 HydrophobicContact CD2-CD1 3.9Å; F516-I556 HydrophobicContact CD2-CG2 3.97Å; F516-I556 HydrophobicContact CE2-CD1 3.77Å; F516-I556 HydrophobicContact CE2-CG2 3.93Å; F516-F563 HydrophobicContact CB-CB 4.06Å; F516-F563 HydrophobicContact CB-CD1 3.91Å; F516-F563 HydrophobicContact CB-CG 4.35Å; F516-F563 HydrophobicContact CD2-CB 4.32Å; F516-F563 HydrophobicContact CD2-CD1 4.43Å; F516-F563 HydrophobicContact CD2-CG 4.42Å
517	L	98.8	Very high	97.9	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-65	-42.6	179.1	-59.4	-178.1	0	0	0	112	F457 I496 V499 W500 T503 F512 E514 T519 I520 L521 W588	F457-L517 HydrophobicContact CE1-CD2 4.17Å; F457-L517 HydrophobicContact CZ-CD2 4.19Å; I496-L517 HydrophobicContact CG2-CB 3.83Å; I496-L517 HydrophobicContact CG2-CD2 4.19Å; I496-L517 HydrophobicContact CG2-CG 4.43Å; V499-L517 HydrophobicContact CG1-CD1 4.18Å; V499-L517 HydrophobicContact CG1-CD2 4.08Å; W500-L517 HydrophobicContact CB-CD1 3.94Å; T503-L517 HydrophobicContact CG2-CD1 4.42Å; F512-L517 HydrophobicContact CD2-CD2 3.99Å; F512-L517 HydrophobicContact CD2-CG 4.25Å; F512-L517 HydrophobicContact CE2-CD1 4.35Å; F512-L517 HydrophobicContact CE2-CD2 3.72Å; F512-L517 HydrophobicContact CE2-CG 4.22Å; E514-L517 PolarHBondContact O-N 2.98Å; L517-T519 VanDerWaalsContact C-N 3.35Å; L517-I520 PolarHBondContact O-N 3.34Å; L517-L521 PolarHBondContact O-N 3.47Å; L517-W588 HydrophobicContact CB-CH2 3.72Å; L517-W588 HydrophobicContact CB-CZ2 4.09Å; L517-W588 HydrophobicContact CD1-CH2 4.49Å
518	I	97.8	Very high	98	Very high	20 Å²	20	15.4 Å²	15.4	10%	0.103	8%	0.083	C	C	.	.	H	α-helix	trans	-63.4	-42.2	175.5	-66.6	175.8	0	0	0	110.8	E514 L515 I520 L521 D522 W588 Y591 R594	E514-I518 HydrophobicContact CG-CD1 3.98Å; E514-I518 HydrophobicContact CG-CG1 4.39Å; E514-I518 WeakPolarHBondContact O-CG1 3.46Å; E514-I518 PolarHBondContact O-N 2.93Å; L515-I518 PolarHBondContact O-N 3.31Å; I518-I520 VanDerWaalsContact C-N 3.32Å; I518-I520 PolarHBondContact O-N 2.89Å; I518-L521 PolarHBondContact O-N 2.97Å; I518-L521 VanDerWaalsContact O-N 3.09Å; I518-D522 PolarHBondContact O-N 2.99Å; I518-W588 HydrophobicContact CD1-CZ2 4.36Å; I518-W588 HydrophobicContact CG1-CH2 4.31Å; I518-W588 HydrophobicContact CG1-CZ2 3.62Å; I518-Y591 HydrophobicContact CG1-CD2 4.37Å; I518-Y591 HydrophobicContact CG2-CD2 4.49Å; I518-R594 VanDerWaalsContact CG2-NH1 3.31Å
519	T	98.5	Very high	98.1	Very high	12 Å²	12	14.1 Å²	14.1	7%	0.074	7%	0.073	C	C	.	.	H	α-helix	trans	-62.1	-39.6	178.8	-62.1	0	0	0	0	111.5	L515 F516 L517 D522 H523 Y555 I556 F563	L515-T519 VanDerWaalsContact O-CB 3.22Å; L515-T519 WeakPolarHBondContact O-CB 3.33Å; L515-T519 PolarHBondContact O-N 3.3Å; L515-T519 PolarHBondContact O-OG1 2.88Å; F516-T519 PolarHBondContact O-N 2.98Å; L517-T519 VanDerWaalsContact C-N 3.35Å; T519-D522 PolarHBondContact O-N 3.36Å; T519-H523 WeakPolarHBondContact O-CB 3Å; T519-H523 PolarHBondContact O-CD2 3.45Å; T519-H523 VanDerWaalsContact O-CD2 3.27Å; T519-H523 PolarHBondContact O-N 3.27Å; T519-Y555 HydrophobicContact CG2-CE1 3.99Å; T519-I556 HydrophobicContact CG2-CD1 4.4Å; T519-F563 HydrophobicContact CG2-CE1 4.18Å; T519-F563 HydrophobicContact CG2-CZ 4.34Å
520	I	98.8	Very high	98.2	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-59.5	-45.8	172.3	-74.2	168.3	0	0	0	110.9	F457 L461 F492 I496 F516 L517 I518 H523 L524 F532 L552 W553	F457-I520 HydrophobicContact CD1-CD1 4.26Å; F457-I520 HydrophobicContact CE1-CD1 3.91Å; L461-I520 HydrophobicContact CD1-CD1 3.99Å; F492-I520 HydrophobicContact CE1-CG2 3.67Å; F492-I520 HydrophobicContact CZ-CG2 4.06Å; I496-I520 HydrophobicContact CD1-CG2 4.24Å; F516-I520 HydrophobicContact CD1-CD1 4.03Å; F516-I520 HydrophobicContact CD2-CD1 4.35Å; F516-I520 HydrophobicContact CE1-CD1 3.57Å; F516-I520 HydrophobicContact CE2-CD1 3.88Å; F516-I520 HydrophobicContact CE2-CG1 4.48Å; F516-I520 HydrophobicContact CG-CD1 4.43Å; F516-I520 HydrophobicContact CZ-CD1 3.49Å; F516-I520 VanDerWaalsContact CZ-CD1 3.49Å; F516-I520 WeakPolarHBondContact O-CG1 3.37Å; F516-I520 PolarHBondContact O-N 3.15Å; L517-I520 PolarHBondContact O-N 3.34Å; I518-I520 VanDerWaalsContact C-N 3.32Å; I518-I520 PolarHBondContact O-N 2.89Å; I520-H523 PolarHBondContact O-N 3.27Å; I520-L524 WeakPolarHBondContact O-CB 3.45Å; I520-L524 PolarHBondContact O-N 2.88Å; I520-F532 HydrophobicContact CG2-CE2 4.12Å; I520-F532 HydrophobicContact CG2-CZ 3.95Å; I520-L552 HydrophobicContact CG1-CD2 4.19Å; I520-W553 HydrophobicContact CD1-CH2 4.3Å; I520-W553 HydrophobicContact CD1-CZ3 4.24Å; I520-W553 HydrophobicContact CG1-CH2 4.31Å; I520-W553 HydrophobicContact CG1-CZ3 4.15Å
521	L	98.7	Very high	98.2	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-71.4	-32.9	-179.3	-65.9	-179.2	0	0	0	113.4	F492 V493 I496 L517 I518 L524 Y525 W588 Y591	F492-L521 HydrophobicContact CD1-CD2 4.37Å; V493-L521 HydrophobicContact CB-CD2 4.45Å; V493-L521 HydrophobicContact CG1-CD1 4.34Å; V493-L521 HydrophobicContact CG2-CD2 4.22Å; I496-L521 HydrophobicContact CB-CD1 4.18Å; I496-L521 HydrophobicContact CB-CD2 3.96Å; I496-L521 HydrophobicContact CB-CG 4.24Å; I496-L521 HydrophobicContact CG1-CD2 3.85Å; I496-L521 HydrophobicContact CG1-CG 4.42Å; I496-L521 HydrophobicContact CG2-CD1 3.82Å; I496-L521 HydrophobicContact CG2-CD2 4.22Å; I496-L521 HydrophobicContact CG2-CG 3.94Å; L517-L521 PolarHBondContact O-N 3.47Å; I518-L521 PolarHBondContact O-N 2.97Å; I518-L521 VanDerWaalsContact O-N 3.09Å; L521-L524 HydrophobicContact CD2-CD2 4.15Å; L521-L524 WeakPolarHBondContact O-CB 3.36Å; L521-Y525 VanDerWaalsContact O-CD2 3.31Å; L521-Y525 WeakPolarHBondContact O-CD2 3.4Å; L521-W588 HydrophobicContact CD1-CH2 3.99Å; L521-W588 HydrophobicContact CD1-CZ3 3.77Å; L521-Y591 HydrophobicContact CB-CD2 4.43Å; L521-Y591 HydrophobicContact CB-CE2 3.55Å; L521-Y591 HydrophobicContact CD1-CD1 4.1Å; L521-Y591 HydrophobicContact CD1-CD2 3.92Å; L521-Y591 HydrophobicContact CD1-CE1 3.75Å; L521-Y591 HydrophobicContact CD1-CE2 3.55Å; L521-Y591 HydrophobicContact CD1-CG 4.19Å; L521-Y591 VanDerWaalsContact CD1-CZ 3.46Å; L521-Y591 HydrophobicContact CG-CE2 4.19Å
522	D	98.1	Very high	98.2	Very high	56 Å²	56	11.2 Å²	11.2	30%	0.299	6%	0.058	S	C	.	.	H	α-helix	trans	-64.6	-44.9	171.6	-74.8	-22.8	0	0	0	110.7	I518 T519 Y525 S526 R594	I518-D522 PolarHBondContact O-N 2.99Å; T519-D522 PolarHBondContact O-N 3.36Å; D522-Y525 PolarHBondContact O-N 3.16Å; D522-S526 WeakPolarHBondContact O-CB 3.24Å; D522-S526 PolarHBondContact O-N 3.04Å; D522-S526 VanDerWaalsContact O-N 3.08Å; D522-R594 VanDerWaalsContact CG-NH1 3.27Å; D522-R594 IonicContact OD1-CZ 3.33Å; D522-R594 IonicContact OD1-NH1 2.75Å; D522-R594 PolarHBondContact OD1-NH1 3.25Å; D522-R594 IonicContact OD1-NH2 2.87Å; D522-R594 PolarHBondContact OD1-NH2 3.37Å; D522-R594 IonicContact OD2-CZ 3.42Å; D522-R594 IonicContact OD2-NH1 3.22Å; D522-R594 PolarHBondContact OD2-NH1 3.24Å
523	H	98.6	Very high	98.2	Very high	15 Å²	15	11.4 Å²	11.4	7%	0.069	6%	0.059	C	C	.	.	H	α-helix	trans	-79.5	-17.4	-178.9	-72.4	-56.2	0	0	0	114.9	T519 I520 Y525 S526 F529 L552	T519-H523 WeakPolarHBondContact O-CB 3Å; T519-H523 PolarHBondContact O-CD2 3.45Å; T519-H523 VanDerWaalsContact O-CD2 3.27Å; T519-H523 PolarHBondContact O-N 3.27Å; I520-H523 PolarHBondContact O-N 3.27Å; H523-Y525 VanDerWaalsContact C-N 3.27Å; H523-Y525 PolarHBondContact O-N 3.06Å; H523-S526 WeakPolarHBondContact CA-OG 3.34Å; H523-S526 PolarHBondContact ND1-OG 3.24Å; H523-S526 PolarHBondContact O-N 3.42Å; H523-S526 PolarHBondContact O-OG 3.39Å; H523-F529 HydrophobicContact CB-CD2 4.12Å; H523-F529 AromaticContact CD2-CE2 3.87Å; H523-F529 AromaticContact CE1-CE2 3.64Å; H523-F529 AromaticContact CG-CD2 3.78Å; H523-F529 AromaticContact CG-CE2 3.73Å; H523-F529 AromaticContact ND1-CD2 3.73Å; H523-F529 AromaticContact ND1-CE2 3.58Å; H523-F529 AromaticContact NE2-CE2 3.81Å; H523-L552 HydrophobicContact CB-CD1 3.84Å; H523-L552 HydrophobicContact CB-CD2 4.07Å
524	L	98.6	Very high	98.3	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.005	6%	0.06	C	C	.	.	H	α-helix	trans	-52.6	-48.9	163.7	178.6	68.3	0	0	0	109.8	F472 I476 H478 F492 V493 I520 L521 F532	F472-L524 HydrophobicContact CD1-CD1 3.59Å; F472-L524 HydrophobicContact CE1-CD1 3.74Å; I476-L524 HydrophobicContact CD1-CD1 3.96Å; I476-L524 HydrophobicContact CD1-CD2 3.69Å; I476-L524 HydrophobicContact CD1-CG 3.86Å; I476-L524 HydrophobicContact CG1-CD1 3.9Å; I476-L524 HydrophobicContact CG1-CD2 4.48Å; I476-L524 HydrophobicContact CG1-CG 4.1Å; H478-L524 PolarHBondContact CE1-O 3.35Å; F492-L524 HydrophobicContact CD1-CD1 3.8Å; F492-L524 HydrophobicContact CD1-CD2 3.88Å; F492-L524 HydrophobicContact CD1-CG 4.37Å; F492-L524 HydrophobicContact CE1-CD1 4.31Å; V493-L524 HydrophobicContact CG2-CD2 4.15Å; I520-L524 WeakPolarHBondContact O-CB 3.45Å; I520-L524 PolarHBondContact O-N 2.88Å; L521-L524 HydrophobicContact CD2-CD2 4.15Å; L521-L524 WeakPolarHBondContact O-CB 3.36Å; L524-F532 HydrophobicContact CB-CD2 4.43Å; L524-F532 HydrophobicContact CD1-CB 4.11Å; L524-F532 HydrophobicContact CD1-CD2 4.35Å; L524-F532 HydrophobicContact CD1-CG 4.08Å
525	Y	97.8	Very high	98.3	Very high	11 Å²	11	10.9 Å²	10.9	4%	0.043	6%	0.058	C	C	.	.	H	α-helix	trans	-83.5	-28.5	-179	-54.9	-49.2	0	0	0	113.7	G144 K169 I476 V493 L521 D522 H523 C527	G144-Y525 CarbonylContact C-O 3.56Å; G144-Y525 WeakPolarHBondContact CA-O 3.48Å; K169-Y525 HydrophobicContact CB-CD1 3.84Å; K169-Y525 HydrophobicContact CB-CD2 4.2Å; K169-Y525 HydrophobicContact CB-CE1 3.79Å; K169-Y525 HydrophobicContact CB-CE2 4.12Å; K169-Y525 HydrophobicContact CB-CG 4.07Å; K169-Y525 HydrophobicContact CD-CD1 3.62Å; K169-Y525 HydrophobicContact CD-CE1 4.09Å; K169-Y525 HydrophobicContact CD-CG 4.22Å; K169-Y525 HydrophobicContact CG-CD1 4.35Å; K169-Y525 HydrophobicContact CG-CE1 4.49Å; I476-Y525 HydrophobicContact CD1-CE1 4.12Å; I476-Y525 HydrophobicContact CG2-CD1 3.5Å; I476-Y525 HydrophobicContact CG2-CE1 3.84Å; V493-Y525 WeakPolarHBondContact CG2-OH 3.49Å; L521-Y525 VanDerWaalsContact O-CD2 3.31Å; L521-Y525 WeakPolarHBondContact O-CD2 3.4Å; D522-Y525 PolarHBondContact O-N 3.16Å; H523-Y525 VanDerWaalsContact C-N 3.27Å; H523-Y525 PolarHBondContact O-N 3.06Å; Y525-C527 VanDerWaalsContact C-N 3.26Å; Y525-C527 PolarHBondContact O-N 2.69Å; Y525-C527 VanDerWaalsContact O-N 3.13Å
526	S	97.4	Very high	98.4	Very high	6 Å²	6	9.1 Å²	9.1	4%	0.042	5%	0.05	C	C	.	.	H	α-helix	trans	-62.9	-27.7	-162	74.1	0	0	0	0	116.1	Y124 N142 D522 H523 L528	Y124-S526 WeakPolarHBondContact CE2-O 3.44Å; N142-S526 VanDerWaalsContact ND2-CA 3.35Å; N142-S526 WeakPolarHBondContact ND2-CA 3.33Å; N142-S526 VanDerWaalsContact ND2-CB 3.33Å; N142-S526 WeakPolarHBondContact ND2-CB 3.18Å; N142-S526 PolarHBondContact ND2-O 2.66Å; N142-S526 VanDerWaalsContact OD1-CA 3.29Å; N142-S526 WeakPolarHBondContact OD1-CA 3.47Å; N142-S526 PolarHBondContact OD1-O 3.36Å; D522-S526 WeakPolarHBondContact O-CB 3.24Å; D522-S526 PolarHBondContact O-N 3.04Å; D522-S526 VanDerWaalsContact O-N 3.08Å; H523-S526 WeakPolarHBondContact CA-OG 3.34Å; H523-S526 PolarHBondContact ND1-OG 3.24Å; H523-S526 PolarHBondContact O-N 3.42Å; H523-S526 PolarHBondContact O-OG 3.39Å; S526-L528 PolarHBondContact O-N 2.9Å; S526-L528 WeakPolarHBondContact OG-CB 3.48Å; S526-L528 PolarHBondContact OG-N 3.28Å; S526-L528 VanDerWaalsContact OG-N 3.08Å
527	C	97.9	Very high	98.4	Very high	8 Å²	8	10.5 Å²	10.5	5%	0.054	6%	0.056	C	C	.	.			trans	47.1	30.1	-165.5	-61.3	0	0	0	0	113.7	F204 A206 H478 Y525 L533	F204-C527 HydrophobicContact CB-CB 4.46Å; F204-C527 HydrophobicContact CD1-CB 4.06Å; A206-C527 WeakPolarHBondContact CB-O 3.42Å; A206-C527 PolarHBondContact N-O 3.1Å; H478-C527 PolarHBondContact ND1-SG 3.11Å; Y525-C527 VanDerWaalsContact C-N 3.26Å; Y525-C527 PolarHBondContact O-N 2.69Å; Y525-C527 VanDerWaalsContact O-N 3.13Å; C527-L533 HydrophobicContact CB-CD2 4.27Å
528	L	98.4	Very high	98.4	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.071	C	C	.	.	S	Bend	trans	-77.1	-38.3	171.8	-176.9	59.3	0	0	0	111.5	L77 L93 Y124 F205 A206 Y209 S526	L77-L528 HydrophobicContact CD1-CD2 4.2Å; L77-L528 HydrophobicContact CD2-CD2 3.78Å; L93-L528 HydrophobicContact CD1-CD1 3.79Å; L93-L528 HydrophobicContact CD1-CD2 4.3Å; Y124-L528 HydrophobicContact CD2-CD1 4.39Å; Y124-L528 HydrophobicContact CE2-CB 3.7Å; Y124-L528 HydrophobicContact CE2-CD1 3.79Å; Y124-L528 HydrophobicContact CE2-CG 4.24Å; F205-L528 HydrophobicContact CD1-CD1 3.62Å; F205-L528 HydrophobicContact CE1-CD1 3.53Å; A206-L528 VanDerWaalsContact CA-O 3.3Å; A206-L528 WeakPolarHBondContact CA-O 3.48Å; Y209-L528 HydrophobicContact CD1-CD1 3.86Å; Y209-L528 HydrophobicContact CD1-CG 4.17Å; Y209-L528 HydrophobicContact CD2-CD1 3.7Å; Y209-L528 HydrophobicContact CE1-CD1 4.02Å; Y209-L528 HydrophobicContact CE1-CD2 4.5Å; Y209-L528 HydrophobicContact CE1-CG 4.06Å; Y209-L528 HydrophobicContact CE2-CD1 3.88Å; Y209-L528 HydrophobicContact CG-CD1 3.67Å; Y209-L528 HydrophobicContact CG-CG 4.48Å; S526-L528 PolarHBondContact O-N 2.9Å; S526-L528 WeakPolarHBondContact OG-CB 3.48Å; S526-L528 PolarHBondContact OG-N 3.28Å; S526-L528 VanDerWaalsContact OG-N 3.08Å
529	F	98.8	Very high	98.5	Very high	6 Å²	6	15.9 Å²	15.9	3%	0.026	8%	0.08	C	C	.	.	S	Bend	trans	-111.1	156.5	-179.3	-58.3	-73.7	0	0	0	110.5	Y209 F213 H523 T531 V550 S551 L552 Y555	Y209-F529 HydrophobicContact CE1-CD1 4.33Å; Y209-F529 AromaticContact CE1-CE1 3.83Å; Y209-F529 HydrophobicContact CE1-CE1 3.83Å; Y209-F529 HydrophobicContact CE1-CZ 4.47Å; F213-F529 HydrophobicContact CE2-CE1 4.38Å; H523-F529 HydrophobicContact CB-CD2 4.12Å; H523-F529 AromaticContact CD2-CE2 3.87Å; H523-F529 AromaticContact CE1-CE2 3.64Å; H523-F529 AromaticContact CG-CD2 3.78Å; H523-F529 AromaticContact CG-CE2 3.73Å; H523-F529 AromaticContact ND1-CD2 3.73Å; H523-F529 AromaticContact ND1-CE2 3.58Å; H523-F529 AromaticContact NE2-CE2 3.81Å; F529-T531 VanDerWaalsContact C-N 3.28Å; F529-T531 PolarHBondContact O-N 3.31Å; F529-V550 VanDerWaalsContact CA-O 3.29Å; F529-V550 WeakPolarHBondContact CA-O 3.28Å; F529-V550 WeakPolarHBondContact CB-O 3.24Å; F529-V550 HydrophobicContact CD1-CB 4Å; F529-V550 HydrophobicContact CD1-CG1 3.9Å; F529-V550 HydrophobicContact CE1-CB 4.37Å; F529-V550 HydrophobicContact CE1-CG1 3.93Å; F529-S551 WeakPolarHBondContact CD1-O 3.49Å; F529-L552 HydrophobicContact CB-CB 4.13Å; F529-L552 HydrophobicContact CD2-CB 3.94Å; F529-L552 HydrophobicContact CD2-CD1 3.68Å; F529-L552 HydrophobicContact CD2-CG 4.41Å; F529-L552 HydrophobicContact CE2-CD1 3.58Å; F529-L552 HydrophobicContact CG-CB 4Å; F529-L552 HydrophobicContact CZ-CD1 4.37Å; F529-Y555 HydrophobicContact CZ-CD1 4.29Å; F529-Y555 AromaticContact CZ-CG 3.96Å; F529-Y555 HydrophobicContact CZ-CG 3.96Å
530	G	98.6	Very high	98.4	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.079	C	C	.	.	S	Bend	trans	-78.7	-7.6	175.5	0	0	0	0	0	115	F532 L533 K540 T549 V550	G530-F532 VanDerWaalsContact C-N 3.34Å; G530-F532 PolarHBondContact O-N 2.93Å; G530-L533 PolarHBondContact O-N 3.48Å; G530-K540 PolarHBondContact O-NZ 2.88Å; G530-T549 VanDerWaalsContact CA-OG1 3.3Å; G530-T549 WeakPolarHBondContact CA-OG1 3.14Å; G530-V550 PolarHBondContact N-O 2.59Å
531	T	98.8	Very high	98.4	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-40.9	-169.9	-58.1	0	0	0	0	113.3	I466 F529 K540 S551 L552 W553	I466-T531 HydrophobicContact CD1-CG2 3.84Å; I466-T531 WeakPolarHBondContact CD1-O 3.12Å; F529-T531 VanDerWaalsContact C-N 3.28Å; F529-T531 PolarHBondContact O-N 3.31Å; T531-K540 PolarHBondContact O-NZ 2.98Å; T531-S551 PolarHBondContact OG1-OG 3.46Å; T531-L552 HydrophobicContact CG2-CB 4.33Å; T531-L552 WeakPolarHBondContact OG1-CB 3.21Å; T531-L552 PolarHBondContact OG1-N 3.15Å; T531-W553 HydrophobicContact CG2-CZ2 3.69Å
532	F	98.8	Very high	98.4	Very high	5 Å²	5	23.6 Å²	23.6	2%	0.022	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	15.7	-179.3	-58.5	-60.7	0	0	0	113.8	L461 I466 F472 H478 F492 I520 L524 G530 L552 W553	L461-F532 HydrophobicContact CD1-CZ 4.5Å; I466-F532 HydrophobicContact CD1-CD1 4.22Å; I466-F532 HydrophobicContact CD1-CE1 4.1Å; I466-F532 HydrophobicContact CG1-CD1 4.5Å; F472-F532 WeakPolarHBondContact CB-O 3.33Å; F472-F532 HydrophobicContact CD1-CB 4.08Å; F472-F532 AromaticContact CD1-CD1 3.95Å; F472-F532 HydrophobicContact CD1-CD1 3.95Å; F472-F532 HydrophobicContact CD1-CG 4.33Å; F472-F532 HydrophobicContact CD2-CD1 4.47Å; F472-F532 HydrophobicContact CE1-CB 4.47Å; F472-F532 AromaticContact CE1-CD1 3.5Å; F472-F532 HydrophobicContact CE1-CD1 3.5Å; F472-F532 VanDerWaalsContact CE1-CD1 3.5Å; F472-F532 HydrophobicContact CE1-CE1 4.05Å; F472-F532 HydrophobicContact CE1-CG 4.23Å; F472-F532 HydrophobicContact CE2-CD1 4.08Å; F472-F532 HydrophobicContact CG-CB 4.33Å; F472-F532 HydrophobicContact CG-CD1 4.42Å; F472-F532 AromaticContact CZ-CD1 3.57Å; F472-F532 HydrophobicContact CZ-CD1 3.57Å; F472-F532 AromaticContact CZ-CE1 3.92Å; F472-F532 HydrophobicContact CZ-CE1 3.92Å; H478-F532 PolarHBondContact NE2-O 3.26Å; F492-F532 HydrophobicContact CE1-CE1 4.07Å; F492-F532 HydrophobicContact CE1-CZ 4.05Å; F492-F532 AromaticContact CZ-CE1 3.88Å; F492-F532 HydrophobicContact CZ-CE1 3.88Å; F492-F532 HydrophobicContact CZ-CZ 4.04Å; I520-F532 HydrophobicContact CG2-CE2 4.12Å; I520-F532 HydrophobicContact CG2-CZ 3.95Å; L524-F532 HydrophobicContact CB-CD2 4.43Å; L524-F532 HydrophobicContact CD1-CB 4.11Å; L524-F532 HydrophobicContact CD1-CD2 4.35Å; L524-F532 HydrophobicContact CD1-CG 4.08Å; G530-F532 VanDerWaalsContact C-N 3.34Å; G530-F532 PolarHBondContact O-N 2.93Å; F532-L552 HydrophobicContact CE2-CD2 3.77Å; F532-L552 HydrophobicContact CZ-CD2 4.44Å; F532-W553 HydrophobicContact CZ-CH2 4.21Å; F532-W553 HydrophobicContact CZ-CZ2 4.4Å
533	L	98.4	Very high	98.3	Very high	6 Å²	6	26 Å²	26	3%	0.031	14%	0.143	C	C	.	.			trans	-79.1	160.8	173.9	-61	-174.6	0	0	0	111.9	F204 A206 F207 C527 G530 K540	F204-L533 HydrophobicContact CB-CD1 4.48Å; F204-L533 HydrophobicContact CD2-CD1 4.37Å; F204-L533 HydrophobicContact CD2-CD2 4.47Å; F204-L533 HydrophobicContact CG-CD2 4.48Å; A206-L533 HydrophobicContact CB-CD1 3.91Å; F207-L533 HydrophobicContact CE2-CD1 3.98Å; C527-L533 HydrophobicContact CB-CD2 4.27Å; G530-L533 PolarHBondContact O-N 3.48Å; L533-K540 WeakPolarHBondContact O-CE 3.46Å
534	C	98.4	Very high	98.3	Very high	11 Å²	11	29.8 Å²	29.8	7%	0.074	16%	0.161	C	C	.	.	S	Bend	trans	66.2	-177.8	178.7	-48.9	0	0	0	0	114.1	A473 E539 K540	A473-C534 PolarHBondContact N-O 3.49Å; A473-C534 VanDerWaalsContact N-O 3.13Å; C534-E539 HydrophobicContact CB-CB 3.8Å; C534-E539 WeakPolarHBondContact CB-OE2 3.35Å; C534-K540 HydrophobicContact CB-CG 3.9Å
535	N	98.6	Very high	98.3	Very high	29 Å²	29	29.7 Å²	29.7	16%	0.155	16%	0.16	C	C	.	.	S	Bend	trans	-117.2	-10.3	-178.9	-61.4	-53.9	0	0	0	114.9	G469 K471 A473 S474 E539	G469-N535 CarbonylContact C-O 3.21Å; G469-N535 WeakPolarHBondContact CA-O 3.22Å; K471-N535 VanDerWaalsContact CA-OD1 3.3Å; K471-N535 WeakPolarHBondContact CA-OD1 3.4Å; K471-N535 HydrophobicContact CB-CB 4.17Å; K471-N535 WeakPolarHBondContact CB-OD1 3.36Å; K471-N535 HydrophobicContact CG-CB 4.14Å; K471-N535 PolarHBondContact O-OD1 3.39Å; A473-N535 WeakPolarHBondContact CB-OD1 3.45Å; A473-N535 PolarHBondContact N-OD1 3.36Å; S474-N535 PolarHBondContact N-OD1 3.49Å; S474-N535 PolarHBondContact OG-ND2 3.1Å; S474-N535 PolarHBondContact OG-OD1 3.07Å; N535-E539 PolarHBondContact N-OE2 3.18Å
536	S	98.7	Very high	98.3	Very high	6 Å²	6	34.2 Å²	34.2	4%	0.042	18%	0.182	C	C	.	.	S	Bend	trans	-152.6	164.5	178.2	70.7	0	0	0	0	112.2	Q538 E539 K540	S536-Q538 VanDerWaalsContact C-N 3.28Å; S536-Q538 PolarHBondContact O-N 3.24Å; S536-E539 PolarHBondContact O-N 3.42Å; S536-E539 PolarHBondContact OG-N 2.92Å; S536-E539 VanDerWaalsContact OG-N 3.15Å; S536-K540 PolarHBondContact O-N 3.1Å; S536-K540 VanDerWaalsContact O-N 3.1Å
537	E	98.6	Very high	98.3	Very high	29 Å²	29	39.4 Å²	39.4	14%	0.136	21%	0.213	C	C	.	.	H	α-helix	trans	-58.6	-39.8	171.9	-168.4	-177.7	124.4	0	0	111.7	Y246 P253 S254 S467 K540 T541	Y246-E537 HydrophobicContact CE1-CB 4.07Å; Y246-E537 HydrophobicContact CE1-CG 4.16Å; Y246-E537 WeakPolarHBondContact OH-CG 3.41Å; Y246-E537 PolarHBondContact OH-OE1 3.3Å; Y246-E537 VanDerWaalsContact OH-OE1 3.11Å; P253-E537 VanDerWaalsContact CA-OE2 3.24Å; P253-E537 WeakPolarHBondContact CA-OE2 3.3Å; P253-E537 WeakPolarHBondContact CB-OE2 3.22Å; S254-E537 WeakPolarHBondContact CB-OE1 3.46Å; S254-E537 PolarHBondContact N-OE1 2.86Å; S254-E537 VanDerWaalsContact N-OE1 3.1Å; S254-E537 PolarHBondContact OG-OE1 2.88Å; S467-E537 WeakPolarHBondContact CB-OE2 3.28Å; E537-K540 PolarHBondContact O-N 3.27Å; E537-T541 PolarHBondContact O-N 3.05Å; E537-T541 PolarHBondContact O-OG1 3.08Å
538	Q	98.6	Very high	98.3	Very high	69 Å²	69	44.1 Å²	44.1	32%	0.322	23%	0.233	S	C	.	.	H	α-helix	trans	-60.5	-48.8	175.4	-172.5	-169.1	47.8	0	0	111.6	Y246 S536 K540 T541 A542	Y246-Q538 HydrophobicContact CD1-CB 3.9Å; Y246-Q538 HydrophobicContact CD2-CB 3.78Å; Y246-Q538 HydrophobicContact CD2-CG 3.58Å; Y246-Q538 HydrophobicContact CE1-CB 4.13Å; Y246-Q538 HydrophobicContact CE2-CB 4.03Å; Y246-Q538 HydrophobicContact CE2-CG 4.08Å; Y246-Q538 HydrophobicContact CG-CB 3.7Å; Y246-Q538 HydrophobicContact CG-CG 3.82Å; S536-Q538 VanDerWaalsContact C-N 3.28Å; S536-Q538 PolarHBondContact O-N 3.24Å; Q538-K540 VanDerWaalsContact C-N 3.29Å; Q538-K540 PolarHBondContact O-N 3.46Å; Q538-T541 WeakPolarHBondContact O-CB 3.38Å; Q538-T541 PolarHBondContact O-N 3.32Å; Q538-A542 WeakPolarHBondContact O-CB 3.39Å; Q538-A542 PolarHBondContact O-N 2.92Å
539	E	98.5	Very high	98.3	Very high	63 Å²	63	44.7 Å²	44.7	29%	0.294	24%	0.236	S	C	.	.	H	α-helix	trans	-60.7	-39.4	178.1	-75.6	-175.7	-164.2	0	0	111.9	C534 N535 S536 A542 K543	C534-E539 HydrophobicContact CB-CB 3.8Å; C534-E539 WeakPolarHBondContact CB-OE2 3.35Å; N535-E539 PolarHBondContact N-OE2 3.18Å; S536-E539 PolarHBondContact O-N 3.42Å; S536-E539 PolarHBondContact OG-N 2.92Å; S536-E539 VanDerWaalsContact OG-N 3.15Å; E539-A542 PolarHBondContact O-N 3.3Å; E539-K543 WeakPolarHBondContact O-CB 3.25Å; E539-K543 PolarHBondContact O-N 3.31Å; E539-K543 VanDerWaalsContact O-N 3.07Å
540	K	98.3	Very high	98.3	Very high	12 Å²	12	45.5 Å²	45.5	5%	0.052	24%	0.242	C	C	.	.	H	α-helix	trans	-63.6	-41.9	175.9	-75.5	-173.6	171.1	-139.5	0	112.1	I466 G530 T531 L533 C534 S536 E537 Q538 K543 E544 V545	I466-K540 HydrophobicContact CG2-CD 4.05Å; G530-K540 PolarHBondContact O-NZ 2.88Å; T531-K540 PolarHBondContact O-NZ 2.98Å; L533-K540 WeakPolarHBondContact O-CE 3.46Å; C534-K540 HydrophobicContact CB-CG 3.9Å; S536-K540 PolarHBondContact O-N 3.1Å; S536-K540 VanDerWaalsContact O-N 3.1Å; E537-K540 PolarHBondContact O-N 3.27Å; Q538-K540 VanDerWaalsContact C-N 3.29Å; Q538-K540 PolarHBondContact O-N 3.46Å; K540-K543 PolarHBondContact O-N 3.15Å; K540-E544 PolarHBondContact O-N 3.1Å; K540-E544 VanDerWaalsContact O-N 3.1Å; K540-V545 HydrophobicContact CB-CB 4.26Å; K540-V545 HydrophobicContact CB-CG2 4.26Å; K540-V545 HydrophobicContact CG-CB 4.41Å; K540-V545 HydrophobicContact CG-CG2 4.28Å; K540-V545 PolarHBondContact O-N 2.8Å
541	T	97.8	Very high	98.3	Very high	82 Å²	82	45.5 Å²	45.5	50%	0.503	24%	0.242	S	C	.	.	H	α-helix	trans	-63.6	-49.1	176.7	-58.1	0	0	0	0	110.4	Y246 E537 Q538 K543 E544	Y246-T541 PolarHBondContact OH-OG1 2.86Å; E537-T541 PolarHBondContact O-N 3.05Å; E537-T541 PolarHBondContact O-OG1 3.08Å; Q538-T541 WeakPolarHBondContact O-CB 3.38Å; Q538-T541 PolarHBondContact O-N 3.32Å; T541-K543 VanDerWaalsContact C-N 3.25Å; T541-K543 PolarHBondContact O-N 3.37Å; T541-E544 PolarHBondContact O-N 3.14Å
542	A	98.1	Very high	98.3	Very high	81 Å²	81	45.5 Å²	45.5	67%	0.669	24%	0.242	S	C	*	.	H	α-helix	trans	-61	-32.8	-179.7	0	0	0	0	0	113.2	Q538 E539	Q538-A542 WeakPolarHBondContact O-CB 3.39Å; Q538-A542 PolarHBondContact O-N 2.92Å; E539-A542 PolarHBondContact O-N 3.3Å
543	K	97.6	Very high	98.3	Very high	105 Å²	105	45.2 Å²	45.2	46%	0.457	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	3.6	176.4	-68.3	176.6	-176	169	0	113.8	E539 K540 T541 V545	E539-K543 WeakPolarHBondContact O-CB 3.25Å; E539-K543 PolarHBondContact O-N 3.31Å; E539-K543 VanDerWaalsContact O-N 3.07Å; K540-K543 PolarHBondContact O-N 3.15Å; T541-K543 VanDerWaalsContact C-N 3.25Å; T541-K543 PolarHBondContact O-N 3.37Å; K543-V545 HydrophobicContact CB-CG2 3.94Å; K543-V545 PolarHBondContact O-N 2.98Å
544	E	98.1	Very high	98.3	Very high	95 Å²	95	45.3 Å²	45.3	44%	0.444	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	38.4	-179.1	-67.3	174.1	-98.5	0	0	112.5	K540 T541 Q546 T547 K548	K540-E544 PolarHBondContact O-N 3.1Å; K540-E544 VanDerWaalsContact O-N 3.1Å; T541-E544 PolarHBondContact O-N 3.14Å; E544-Q546 VanDerWaalsContact C-N 3.3Å; E544-Q546 PolarHBondContact O-N 3.13Å; E544-T547 WeakPolarHBondContact CB-OG1 3.37Å; E544-T547 PolarHBondContact O-N 3.1Å; E544-T547 PolarHBondContact O-OG1 2.93Å; E544-T547 VanDerWaalsContact O-OG1 3.12Å; E544-K548 HydrophobicContact CB-CD 3.85Å; E544-K548 HydrophobicContact CB-CG 4.14Å; E544-K548 WeakPolarHBondContact O-CB 3.04Å; E544-K548 PolarHBondContact O-N 3.42Å; E544-K548 IonicContact OE1-NZ 2.77Å; E544-K548 PolarHBondContact OE1-NZ 2.72Å; E544-K548 WeakPolarHBondContact OE2-CE 3.41Å; E544-K548 IonicContact OE2-NZ 3.03Å; E544-K548 PolarHBondContact OE2-NZ 2.95Å
545	V	98.3	Very high	98.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-58.9	-43.3	-172.3	174.4	0	0	0	0	111.1	F207 W218 K540 K543 T547 K548 T549	F207-V545 HydrophobicContact CZ-CG2 4.21Å; W218-V545 HydrophobicContact CH2-CG1 4.04Å; W218-V545 HydrophobicContact CZ2-CG1 4.19Å; K540-V545 HydrophobicContact CB-CB 4.26Å; K540-V545 HydrophobicContact CB-CG2 4.26Å; K540-V545 HydrophobicContact CG-CB 4.41Å; K540-V545 HydrophobicContact CG-CG2 4.28Å; K540-V545 PolarHBondContact O-N 2.8Å; K543-V545 HydrophobicContact CB-CG2 3.94Å; K543-V545 PolarHBondContact O-N 2.98Å; V545-T547 VanDerWaalsContact C-N 3.3Å; V545-T547 PolarHBondContact O-N 3.05Å; V545-K548 PolarHBondContact O-N 2.76Å; V545-T549 HydrophobicContact CG1-CG2 4.38Å; V545-T549 WeakPolarHBondContact CG1-OG1 3.42Å; V545-T549 WeakPolarHBondContact O-CB 3.39Å; V545-T549 PolarHBondContact O-N 2.94Å; V545-T549 PolarHBondContact O-OG1 2.73Å
546	Q	97.2	Very high	98.3	Very high	106 Å²	106	44 Å²	44	50%	0.495	23%	0.233	S	C	.	.	H	α-helix	trans	-66.7	-29.9	-176.8	-62.3	-173.7	-11.2	0	0	113.2	W218 E544	W218-Q546 HydrophobicContact CD2-CB 3.98Å; W218-Q546 HydrophobicContact CD2-CG 3.86Å; W218-Q546 HydrophobicContact CE3-CB 4.32Å; W218-Q546 HydrophobicContact CE3-CG 3.67Å; W218-Q546 HydrophobicContact CG-CB 4.15Å; W218-Q546 HydrophobicContact CG-CG 4.41Å; W218-Q546 HydrophobicContact CH2-CG 4.39Å; W218-Q546 HydrophobicContact CZ3-CG 3.96Å; W218-Q546 PolarHBondContact NE1-O 3.04Å; W218-Q546 VanDerWaalsContact NE1-O 3.13Å; E544-Q546 VanDerWaalsContact C-N 3.3Å; E544-Q546 PolarHBondContact O-N 3.13Å
547	T	97.4	Very high	98.2	Very high	115 Å²	115	45.5 Å²	45.5	71%	0.706	24%	0.241	S	C	*	.	H	α-helix	trans	-91.9	-23.8	-179.6	59.7	0	0	0	0	112.6	E544 V545	E544-T547 WeakPolarHBondContact CB-OG1 3.37Å; E544-T547 PolarHBondContact O-N 3.1Å; E544-T547 PolarHBondContact O-OG1 2.93Å; E544-T547 VanDerWaalsContact O-OG1 3.12Å; V545-T547 VanDerWaalsContact C-N 3.3Å; V545-T547 PolarHBondContact O-N 3.05Å
548	K	98.3	Very high	98.2	Very high	106 Å²	106	45 Å²	45	46%	0.461	24%	0.241	S	C	.	.	H	α-helix	trans	-105	-3.7	-175	-65.4	180	176	163.5	0	114.9	F207 E544 V545	F207-K548 HydrophobicContact CD1-CB 3.84Å; F207-K548 HydrophobicContact CE1-CB 4.07Å; E544-K548 HydrophobicContact CB-CD 3.85Å; E544-K548 HydrophobicContact CB-CG 4.14Å; E544-K548 WeakPolarHBondContact O-CB 3.04Å; E544-K548 PolarHBondContact O-N 3.42Å; E544-K548 IonicContact OE1-NZ 2.77Å; E544-K548 PolarHBondContact OE1-NZ 2.72Å; E544-K548 WeakPolarHBondContact OE2-CE 3.41Å; E544-K548 IonicContact OE2-NZ 3.03Å; E544-K548 PolarHBondContact OE2-NZ 2.95Å; V545-K548 PolarHBondContact O-N 2.76Å
549	T	98.7	Very high	98	Very high	12 Å²	12	43.5 Å²	43.5	7%	0.074	23%	0.233	C	C	.	.	S	Bend	trans	-138.4	160.7	-178.8	72.1	0	0	0	0	111.4	A206 F207 W218 G530 V545	A206-T549 HydrophobicContact CB-CG2 4.03Å; A206-T549 WeakPolarHBondContact O-CB 3.25Å; A206-T549 WeakPolarHBondContact O-CG2 3.44Å; F207-T549 HydrophobicContact CD1-CG2 3.55Å; F207-T549 HydrophobicContact CD2-CG2 4.16Å; F207-T549 HydrophobicContact CE1-CG2 3.61Å; F207-T549 HydrophobicContact CE2-CG2 4.2Å; F207-T549 HydrophobicContact CG-CG2 3.85Å; F207-T549 HydrophobicContact CZ-CG2 3.94Å; W218-T549 WeakPolarHBondContact CZ2-OG1 3.32Å; W218-T549 PolarHBondContact NE1-O 3.15Å; G530-T549 VanDerWaalsContact CA-OG1 3.3Å; G530-T549 WeakPolarHBondContact CA-OG1 3.14Å; V545-T549 HydrophobicContact CG1-CG2 4.38Å; V545-T549 WeakPolarHBondContact CG1-OG1 3.42Å; V545-T549 WeakPolarHBondContact O-CB 3.39Å; V545-T549 PolarHBondContact O-N 2.94Å; V545-T549 PolarHBondContact O-OG1 2.73Å
550	V	98.6	Very high	97.9	Very high	23 Å²	23	43.4 Å²	43.4	14%	0.139	24%	0.238	C	C	.	.			trans	-85.2	143	174.9	-175.2	0	0	0	0	110.2	Y209 F213 F529 G530	Y209-V550 HydrophobicContact CD1-CB 4.04Å; Y209-V550 HydrophobicContact CD1-CG2 3.85Å; Y209-V550 HydrophobicContact CE1-CB 4.15Å; Y209-V550 HydrophobicContact CE1-CG1 4.43Å; Y209-V550 HydrophobicContact CE1-CG2 4.13Å; F213-V550 HydrophobicContact CD2-CG1 3.7Å; F213-V550 HydrophobicContact CE2-CG1 3.79Å; F529-V550 VanDerWaalsContact CA-O 3.29Å; F529-V550 WeakPolarHBondContact CA-O 3.28Å; F529-V550 WeakPolarHBondContact CB-O 3.24Å; F529-V550 HydrophobicContact CD1-CB 4Å; F529-V550 HydrophobicContact CD1-CG1 3.9Å; F529-V550 HydrophobicContact CE1-CB 4.37Å; F529-V550 HydrophobicContact CE1-CG1 3.93Å; G530-V550 PolarHBondContact N-O 2.59Å
551	S	98.8	Very high	97.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.253	C	S	.	.			trans	-80.6	141	170.8	179	0	0	0	0	111.2	F529 T531 W553 S554	F529-S551 WeakPolarHBondContact CD1-O 3.49Å; T531-S551 PolarHBondContact OG1-OG 3.46Å; S551-W553 PolarHBondContact O-N 2.91Å; S551-W553 PolarHBondContact OG-N 3.26Å; S551-S554 VanDerWaalsContact O-CB 3.24Å; S551-S554 WeakPolarHBondContact O-CB 3.38Å; S551-S554 PolarHBondContact O-N 3.44Å; S551-S554 PolarHBondContact O-OG 2.89Å
552	L	98.8	Very high	97.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-54.7	-34.4	170	173.3	60.3	0	0	0	111.3	I520 H523 F529 T531 F532 S554 Y555 I556	I520-L552 HydrophobicContact CG1-CD2 4.19Å; H523-L552 HydrophobicContact CB-CD1 3.84Å; H523-L552 HydrophobicContact CB-CD2 4.07Å; F529-L552 HydrophobicContact CB-CB 4.13Å; F529-L552 HydrophobicContact CD2-CB 3.94Å; F529-L552 HydrophobicContact CD2-CD1 3.68Å; F529-L552 HydrophobicContact CD2-CG 4.41Å; F529-L552 HydrophobicContact CE2-CD1 3.58Å; F529-L552 HydrophobicContact CG-CB 4Å; F529-L552 HydrophobicContact CZ-CD1 4.37Å; T531-L552 HydrophobicContact CG2-CB 4.33Å; T531-L552 WeakPolarHBondContact OG1-CB 3.21Å; T531-L552 PolarHBondContact OG1-N 3.15Å; F532-L552 HydrophobicContact CE2-CD2 3.77Å; F532-L552 HydrophobicContact CZ-CD2 4.44Å; L552-S554 PolarHBondContact O-N 3.45Å; L552-Y555 HydrophobicContact CD1-CD1 4.22Å; L552-Y555 WeakPolarHBondContact O-CB 3.28Å; L552-Y555 PolarHBondContact O-N 3.03Å; L552-Y555 VanDerWaalsContact O-N 3.17Å; L552-I556 HydrophobicContact CD1-CD1 3.94Å; L552-I556 HydrophobicContact CD1-CG1 4.16Å; L552-I556 HydrophobicContact CD2-CD1 4.19Å; L552-I556 HydrophobicContact CG-CD1 3.78Å; L552-I556 HydrophobicContact CG-CG1 4.34Å; L552-I556 PolarHBondContact O-N 2.83Å
553	W	98.8	Very high	97.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-68.2	-26.1	-179.6	-41.7	130.2	0	0	0	112.2	V220 Q458 L461 E462 F516 I520 T531 F532 S551 Y555 I556 N557	V220-W553 HydrophobicContact CG1-CG 4.05Å; Q458-W553 HydrophobicContact CB-CD2 3.96Å; Q458-W553 HydrophobicContact CB-CE3 4.11Å; Q458-W553 HydrophobicContact CB-CG 4.42Å; Q458-W553 HydrophobicContact CB-CZ2 4.41Å; Q458-W553 HydrophobicContact CB-CZ3 4.41Å; Q458-W553 HydrophobicContact CG-CD2 3.83Å; Q458-W553 HydrophobicContact CG-CE3 3.48Å; Q458-W553 VanDerWaalsContact CG-CE3 3.48Å; Q458-W553 HydrophobicContact CG-CG 4.48Å; Q458-W553 HydrophobicContact CG-CH2 4.32Å; Q458-W553 HydrophobicContact CG-CZ3 3.75Å; L461-W553 HydrophobicContact CB-CZ2 4.34Å; L461-W553 HydrophobicContact CD1-CH2 3.74Å; L461-W553 HydrophobicContact CD1-CZ2 4.24Å; E462-W553 PolarHBondContact OE1-NE1 2.96Å; F516-W553 HydrophobicContact CE2-CZ3 4.43Å; I520-W553 HydrophobicContact CD1-CH2 4.3Å; I520-W553 HydrophobicContact CD1-CZ3 4.24Å; I520-W553 HydrophobicContact CG1-CH2 4.31Å; I520-W553 HydrophobicContact CG1-CZ3 4.15Å; T531-W553 HydrophobicContact CG2-CZ2 3.69Å; F532-W553 HydrophobicContact CZ-CH2 4.21Å; F532-W553 HydrophobicContact CZ-CZ2 4.4Å; S551-W553 PolarHBondContact O-N 2.91Å; S551-W553 PolarHBondContact OG-N 3.26Å; W553-Y555 VanDerWaalsContact C-N 3.33Å; W553-I556 HydrophobicContact CE3-CD1 3.96Å; W553-I556 HydrophobicContact CZ3-CD1 3.91Å; W553-I556 PolarHBondContact O-N 3.32Å; W553-N557 WeakPolarHBondContact O-CB 3.48Å; W553-N557 VanDerWaalsContact O-CG 3.28Å; W553-N557 PolarHBondContact O-N 3.02Å; W553-N557 PolarHBondContact O-ND2 2.74Å
554	S	98.6	Very high	97.4	Very high	7 Å²	7	35.5 Å²	35.5	5%	0.049	19%	0.191	C	C	.	.	H	α-helix	trans	-61	-45.8	172.1	-58.4	0	0	0	0	110.4	V215 G217 S551 L552 S558	V215-S554 WeakPolarHBondContact O-CA 3.46Å; V215-S554 WeakPolarHBondContact O-CB 3.4Å; V215-S554 PolarHBondContact O-OG 2.94Å; G217-S554 WeakPolarHBondContact CA-OG 3.47Å; G217-S554 PolarHBondContact N-OG 3.25Å; S551-S554 VanDerWaalsContact O-CB 3.24Å; S551-S554 WeakPolarHBondContact O-CB 3.38Å; S551-S554 PolarHBondContact O-N 3.44Å; S551-S554 PolarHBondContact O-OG 2.89Å; L552-S554 PolarHBondContact O-N 3.45Å; S554-S558 VanDerWaalsContact O-CB 3.32Å; S554-S558 WeakPolarHBondContact O-CB 3.49Å; S554-S558 PolarHBondContact O-N 3.36Å; S554-S558 PolarHBondContact O-OG 2.86Å
555	Y	98.2	Very high	97.3	Very high	13 Å²	13	31.7 Å²	31.7	5%	0.051	17%	0.174	C	C	.	.	H	α-helix	trans	-64.9	-50.9	176.7	167.2	-109.4	0	0	0	111.7	A76 F213 T519 F529 L552 W553 S558 Q559 F563	A76-Y555 PolarHBondContact O-OH 2.96Å; F213-Y555 AromaticContact CE1-CD2 3.82Å; F213-Y555 HydrophobicContact CE1-CD2 3.82Å; F213-Y555 HydrophobicContact CE1-CG 4.38Å; F213-Y555 HydrophobicContact CZ-CD2 4.02Å; F213-Y555 HydrophobicContact CZ-CG 4.43Å; T519-Y555 HydrophobicContact CG2-CE1 3.99Å; F529-Y555 HydrophobicContact CZ-CD1 4.29Å; F529-Y555 AromaticContact CZ-CG 3.96Å; F529-Y555 HydrophobicContact CZ-CG 3.96Å; L552-Y555 HydrophobicContact CD1-CD1 4.22Å; L552-Y555 WeakPolarHBondContact O-CB 3.28Å; L552-Y555 PolarHBondContact O-N 3.03Å; L552-Y555 VanDerWaalsContact O-N 3.17Å; W553-Y555 VanDerWaalsContact C-N 3.33Å; Y555-S558 PolarHBondContact O-N 3.32Å; Y555-Q559 PolarHBondContact OH-NE2 3.08Å; Y555-Q559 VanDerWaalsContact OH-NE2 3.11Å; Y555-F563 HydrophobicContact CE1-CZ 4.03Å
556	I	98	Very high	97.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.3	-48.9	-176	-68.9	178.2	0	0	0	111.8	L454 F516 T519 L552 W553 S558 Q559 F563	L454-I556 HydrophobicContact CD1-CG2 4.33Å; F516-I556 HydrophobicContact CD2-CD1 3.9Å; F516-I556 HydrophobicContact CD2-CG2 3.97Å; F516-I556 HydrophobicContact CE2-CD1 3.77Å; F516-I556 HydrophobicContact CE2-CG2 3.93Å; T519-I556 HydrophobicContact CG2-CD1 4.4Å; L552-I556 HydrophobicContact CD1-CD1 3.94Å; L552-I556 HydrophobicContact CD1-CG1 4.16Å; L552-I556 HydrophobicContact CD2-CD1 4.19Å; L552-I556 HydrophobicContact CG-CD1 3.78Å; L552-I556 HydrophobicContact CG-CG1 4.34Å; L552-I556 PolarHBondContact O-N 2.83Å; W553-I556 HydrophobicContact CE3-CD1 3.96Å; W553-I556 HydrophobicContact CZ3-CD1 3.91Å; W553-I556 PolarHBondContact O-N 3.32Å; I556-S558 PolarHBondContact O-N 2.88Å; I556-Q559 CarbonylContact O-C 3.56Å; I556-Q559 PolarHBondContact O-N 3.32Å; I556-Q559 VanDerWaalsContact O-N 3.11Å; I556-F563 HydrophobicContact CB-CD2 4.25Å; I556-F563 HydrophobicContact CB-CE2 4.06Å; I556-F563 HydrophobicContact CG1-CD2 4.5Å; I556-F563 HydrophobicContact CG1-CE2 4.02Å; I556-F563 HydrophobicContact CG1-CZ 4.14Å; I556-F563 HydrophobicContact CG2-CD2 3.63Å; I556-F563 HydrophobicContact CG2-CE2 3.96Å; I556-F563 HydrophobicContact CG2-CG 4.11Å
557	N	98.1	Very high	97	Very high	38 Å²	38	32.6 Å²	32.6	20%	0.203	18%	0.177	C	C	.	.	H	α-helix	trans	-76.5	-8.1	-175.1	-62.7	-26.5	0	0	0	113.3	V215 Q458 W553 Q559	V215-N557 HydrophobicContact CB-CB 4.45Å; V215-N557 HydrophobicContact CG1-CB 4.13Å; Q458-N557 PolarHBondContact NE2-OD1 3.45Å; Q458-N557 PolarHBondContact OE1-ND2 3.09Å; Q458-N557 PolarHBondContact OE1-OD1 3.18Å; W553-N557 WeakPolarHBondContact O-CB 3.48Å; W553-N557 VanDerWaalsContact O-CG 3.28Å; W553-N557 PolarHBondContact O-N 3.02Å; W553-N557 PolarHBondContact O-ND2 2.74Å; N557-Q559 VanDerWaalsContact C-N 3.32Å
558	S	97.5	Very high	97	Very high	19 Å²	19	28.6 Å²	28.6	13%	0.133	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-14	169.8	-61.3	0	0	0	0	112.8	F79 P214 S554 Y555 I556	F79-S558 WeakPolarHBondContact CE2-O 3.37Å; P214-S558 VanDerWaalsContact CD-OG 3.23Å; P214-S558 WeakPolarHBondContact CD-OG 3.41Å; P214-S558 WeakPolarHBondContact CG-OG 3.3Å; S554-S558 VanDerWaalsContact O-CB 3.32Å; S554-S558 WeakPolarHBondContact O-CB 3.49Å; S554-S558 PolarHBondContact O-N 3.36Å; S554-S558 PolarHBondContact O-OG 2.86Å; Y555-S558 PolarHBondContact O-N 3.32Å; I556-S558 PolarHBondContact O-N 2.88Å
559	Q	95.2	Very high	96.7	Very high	36 Å²	36	27.2 Å²	27.2	17%	0.168	15%	0.147	C	C	.	.	S	Bend	trans	-141.2	53.6	179.4	64.8	-171	33.6	0	0	112.6	Y555 I556 N557 S561 E562 F563	Y555-Q559 PolarHBondContact OH-NE2 3.08Å; Y555-Q559 VanDerWaalsContact OH-NE2 3.11Å; I556-Q559 CarbonylContact O-C 3.56Å; I556-Q559 PolarHBondContact O-N 3.32Å; I556-Q559 VanDerWaalsContact O-N 3.11Å; N557-Q559 VanDerWaalsContact C-N 3.32Å; Q559-S561 PolarHBondContact O-N 3.03Å; Q559-E562 HydrophobicContact CB-CG 4.24Å; Q559-E562 HydrophobicContact CG-CB 4.48Å; Q559-E562 HydrophobicContact CG-CG 4.12Å; Q559-E562 PolarHBondContact O-N 3.26Å; Q559-F563 HydrophobicContact CG-CD2 4.26Å; Q559-F563 HydrophobicContact CG-CE2 3.54Å; Q559-F563 HydrophobicContact CG-CZ 4.38Å; Q559-F563 WeakPolarHBondContact O-CD2 3.41Å
560	P	94.9	Very high	96.2	Very high	62 Å²	62	31.5 Å²	31.5	40%	0.403	17%	0.173	S	C	.	.	H	α-helix	trans	-56.9	-31.8	-171.1	23.7	-34.3	0	0	0	113.3	L454 E562 F563 T564	L454-P560 HydrophobicContact CD2-CB 4.05Å; P560-E562 PolarHBondContact O-N 2.91Å; P560-E562 VanDerWaalsContact O-N 3.1Å; P560-F563 CarbonylContact O-C 3.55Å; P560-F563 PolarHBondContact O-N 2.87Å; P560-T564 PolarHBondContact O-N 3.25Å; P560-T564 PolarHBondContact O-OG1 3.28Å
561	S	93.9	Very high	95.2	Very high	52 Å²	52	35.9 Å²	35.9	36%	0.364	19%	0.187	S	C	.	.	H	α-helix	trans	-58.1	-24.8	178.2	60.4	0	0	0	0	115	Q559 F563 L613	Q559-S561 PolarHBondContact O-N 3.03Å; S561-F563 VanDerWaalsContact C-N 3.29Å; S561-L613 WeakPolarHBondContact O-CD1 3.38Å
562	E	94	Very high	94.2	Very high	35 Å²	35	43.4 Å²	43.4	16%	0.164	22%	0.223	C	C	.	.	H	α-helix	trans	-71.8	-28.6	174.7	-65.2	-61.5	150.7	0	0	112	N513 L515 Q559 P560 H606 K610	N513-E562 PolarHBondContact ND2-O 2.64Å; L515-E562 HydrophobicContact CD2-CB 4.44Å; Q559-E562 HydrophobicContact CB-CG 4.24Å; Q559-E562 HydrophobicContact CG-CB 4.48Å; Q559-E562 HydrophobicContact CG-CG 4.12Å; Q559-E562 PolarHBondContact O-N 3.26Å; P560-E562 PolarHBondContact O-N 2.91Å; P560-E562 VanDerWaalsContact O-N 3.1Å; E562-H606 IonicContact OE2-CD2 3.38Å; E562-K610 WeakPolarHBondContact OE1-CD 3.21Å; E562-K610 WeakPolarHBondContact OE1-CE 3.45Å; E562-K610 IonicContact OE1-NZ 2.59Å; E562-K610 PolarHBondContact OE1-NZ 2.99Å
563	F	96.6	Very high	93	Very high	1 Å²	1	48.9 Å²	48.9	0%	0.004	25%	0.252	C	S	.	.	H	α-helix	trans	-108.7	-12.5	-167.5	-58.7	-61.5	0	0	0	112.7	L454 F512 N513 L515 F516 T519 Y555 I556 Q559 P560 S561	L454-F563 HydrophobicContact CD1-CB 4.11Å; F512-F563 CarbonylContact C-O 3.54Å; F512-F563 VanDerWaalsContact CA-O 3.22Å; F512-F563 WeakPolarHBondContact CA-O 3.49Å; N513-F563 VanDerWaalsContact CG-O 3.23Å; N513-F563 PolarHBondContact N-O 2.9Å; N513-F563 VanDerWaalsContact ND2-C 3.33Å; N513-F563 PolarHBondContact ND2-O 3.03Å; N513-F563 PolarHBondContact OD1-O 3.29Å; L515-F563 HydrophobicContact CD2-CD1 4.37Å; L515-F563 HydrophobicContact CD2-CE1 4.16Å; L515-F563 HydrophobicContact CG-CD1 4.27Å; L515-F563 HydrophobicContact CG-CE1 4.07Å; F516-F563 HydrophobicContact CB-CB 4.06Å; F516-F563 HydrophobicContact CB-CD1 3.91Å; F516-F563 HydrophobicContact CB-CG 4.35Å; F516-F563 HydrophobicContact CD2-CB 4.32Å; F516-F563 HydrophobicContact CD2-CD1 4.43Å; F516-F563 HydrophobicContact CD2-CG 4.42Å; T519-F563 HydrophobicContact CG2-CE1 4.18Å; T519-F563 HydrophobicContact CG2-CZ 4.34Å; Y555-F563 HydrophobicContact CE1-CZ 4.03Å; I556-F563 HydrophobicContact CB-CD2 4.25Å; I556-F563 HydrophobicContact CB-CE2 4.06Å; I556-F563 HydrophobicContact CG1-CD2 4.5Å; I556-F563 HydrophobicContact CG1-CE2 4.02Å; I556-F563 HydrophobicContact CG1-CZ 4.14Å; I556-F563 HydrophobicContact CG2-CD2 3.63Å; I556-F563 HydrophobicContact CG2-CE2 3.96Å; I556-F563 HydrophobicContact CG2-CG 4.11Å; Q559-F563 HydrophobicContact CG-CD2 4.26Å; Q559-F563 HydrophobicContact CG-CE2 3.54Å; Q559-F563 HydrophobicContact CG-CZ 4.38Å; Q559-F563 WeakPolarHBondContact O-CD2 3.41Å; P560-F563 CarbonylContact O-C 3.55Å; P560-F563 PolarHBondContact O-N 2.87Å; S561-F563 VanDerWaalsContact C-N 3.29Å
564	T	97.1	Very high	92.6	Very high	25 Å²	25	51.1 Å²	51.1	15%	0.153	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-77.8	141.3	179.2	-58	0	0	0	0	112.1	E511 N513 P560 L613	E511-T564 HydrophobicContact CG-CG2 4.34Å; E511-T564 CarbonylContact O-C 3.33Å; E511-T564 VanDerWaalsContact O-CA 3.32Å; E511-T564 WeakPolarHBondContact O-CA 3.43Å; N513-T564 PolarHBondContact ND2-O 3.1Å; P560-T564 PolarHBondContact O-N 3.25Å; P560-T564 PolarHBondContact O-OG1 3.28Å; T564-L613 HydrophobicContact CG2-CD1 4.18Å; T564-L613 HydrophobicContact CG2-CD2 3.99Å
565	N	96.3	Very high	92.5	Very high	16 Å²	16	52.4 Å²	52.4	9%	0.086	28%	0.275	C	S	.	.			trans	-88.9	115.8	170.6	174.1	15.8	0	0	0	109.8	P507 F510 E511 N513 F567 Y568	P507-N565 PolarHBondContact O-ND2 2.99Å; F510-N565 WeakPolarHBondContact O-CB 3.3Å; F510-N565 PolarHBondContact O-ND2 3.49Å; E511-N565 WeakPolarHBondContact O-CB 3.38Å; E511-N565 PolarHBondContact O-N 3.45Å; N513-N565 HydrophobicContact CB-CB 4.46Å; N565-F567 PolarHBondContact O-N 3.43Å; N565-F567 WeakPolarHBondContact OD1-CB 3.46Å; N565-F567 WeakPolarHBondContact OD1-CD2 3.47Å; N565-F567 PolarHBondContact OD1-N 2.9Å; N565-Y568 WeakPolarHBondContact O-CB 3.44Å; N565-Y568 PolarHBondContact O-N 3.29Å; N565-Y568 VanDerWaalsContact O-N 3.16Å
566	P	95.4	Very high	92.4	Very high	10 Å²	10	52.2 Å²	52.2	7%	0.065	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-20.7	179.8	26.1	-35.3	0	0	0	114.2	Y568 L609 L612 L613 R616	P566-Y568 VanDerWaalsContact C-N 3.34Å; P566-L609 HydrophobicContact CG-CB 4.14Å; P566-L609 HydrophobicContact CG-CD2 3.83Å; P566-L612 HydrophobicContact CB-CB 4Å; P566-L612 HydrophobicContact CG-CB 3.94Å; P566-L612 HydrophobicContact CG-CD1 4.25Å; P566-L613 HydrophobicContact CB-CD2 3.76Å; P566-L613 HydrophobicContact CB-CG 3.94Å; P566-R616 PolarHBondContact O-NH1 2.83Å
567	F	94.8	Very high	92.4	Very high	114 Å²	114	56 Å²	56	50%	0.5	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	0.2	-179.7	-52.8	-65.8	0	0	0	113.3	S508 N565 L569 L609 L612	S508-F567 VanDerWaalsContact CA-O 3.29Å; S508-F567 WeakPolarHBondContact CA-O 3.44Å; S508-F567 WeakPolarHBondContact CB-O 3.24Å; N565-F567 PolarHBondContact O-N 3.43Å; N565-F567 WeakPolarHBondContact OD1-CB 3.46Å; N565-F567 WeakPolarHBondContact OD1-CD2 3.47Å; N565-F567 PolarHBondContact OD1-N 2.9Å; F567-L569 PolarHBondContact O-N 3.23Å; F567-L609 HydrophobicContact CD2-CD2 4.45Å; F567-L609 HydrophobicContact CE2-CD2 3.85Å; F567-L612 HydrophobicContact CE1-CD1 4.46Å; F567-L612 HydrophobicContact CE2-CD1 4.31Å; F567-L612 HydrophobicContact CZ-CD1 3.71Å
568	Y	95.7	Very high	92.4	Very high	31 Å²	31	54.6 Å²	54.6	12%	0.122	28%	0.284	C	S	.	.			trans	-60	130.4	178.9	178	-120.6	0	0	0	111.4	S508 A509 E511 N565 P566 V570	S508-Y568 WeakPolarHBondContact O-CA 3.42Å; S508-Y568 WeakPolarHBondContact O-CD2 3.37Å; A509-Y568 WeakPolarHBondContact O-CE2 3.4Å; E511-Y568 VanDerWaalsContact CA-CG 3.45Å; E511-Y568 HydrophobicContact CB-CD1 3.67Å; E511-Y568 HydrophobicContact CB-CD2 4.05Å; E511-Y568 HydrophobicContact CB-CE1 3.79Å; E511-Y568 HydrophobicContact CB-CE2 4.16Å; E511-Y568 HydrophobicContact CB-CG 3.81Å; E511-Y568 HydrophobicContact CG-CD1 3.73Å; E511-Y568 HydrophobicContact CG-CE1 4.04Å; E511-Y568 HydrophobicContact CG-CG 4.21Å; E511-Y568 VanDerWaalsContact N-CD2 3.29Å; N565-Y568 WeakPolarHBondContact O-CB 3.44Å; N565-Y568 PolarHBondContact O-N 3.29Å; N565-Y568 VanDerWaalsContact O-N 3.16Å; P566-Y568 VanDerWaalsContact C-N 3.34Å; Y568-V570 HydrophobicContact CE1-CG2 3.81Å
569	L	92.5	Very high	92.3	Very high	78 Å²	78	58.3 Å²	58.3	41%	0.408	30%	0.302	S	S	.	.			trans	-123.4	133.7	175.6	-65.2	175.6	0	0	0	108.5	S508 F567 Y571	S508-L569 PolarHBondContact O-N 3.26Å; F567-L569 PolarHBondContact O-N 3.23Å; L569-Y571 HydrophobicContact CB-CD2 4.04Å; L569-Y571 HydrophobicContact CB-CE2 3.46Å; L569-Y571 VanDerWaalsContact CB-CE2 3.46Å; L569-Y571 HydrophobicContact CD1-CE2 4.02Å; L569-Y571 WeakPolarHBondContact CD1-OH 3.47Å; L569-Y571 HydrophobicContact CG-CE2 4.38Å; L569-Y571 PolarHBondContact O-N 3.03Å
570	V	87.6	Confident	92.3	Very high	102 Å²	102	58.9 Å²	58.9	62%	0.618	31%	0.306	S	S	*	.			trans	-80.1	106.5	177.3	-176.8	0	0	0	0	107.9	Y568 E572	Y568-V570 HydrophobicContact CE1-CG2 3.81Å; V570-E572 HydrophobicContact CG1-CG 4.39Å
571	Y	79.1	Confident	92.1	Very high	114 Å²	114	57.6 Å²	57.6	45%	0.447	30%	0.298	S	S	.	.			trans	-110.9	100.6	168.4	-62.7	-74.7	0	0	0	108.1	S449 L569 N573	S449-Y571 WeakPolarHBondContact CB-O 3.28Å; L569-Y571 HydrophobicContact CB-CD2 4.04Å; L569-Y571 HydrophobicContact CB-CE2 3.46Å; L569-Y571 VanDerWaalsContact CB-CE2 3.46Å; L569-Y571 HydrophobicContact CD1-CE2 4.02Å; L569-Y571 WeakPolarHBondContact CD1-OH 3.47Å; L569-Y571 HydrophobicContact CG-CE2 4.38Å; L569-Y571 PolarHBondContact O-N 3.03Å; Y571-N573 PolarHBondContact O-N 3.14Å
572	E	78.1	Confident	91.8	Very high	158 Å²	158	58.9 Å²	58.9	74%	0.738	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	136.8	173.6	-65.3	-177.2	176.5	0	0	109.5	V570 C574	V570-E572 HydrophobicContact CG1-CG 4.39Å; E572-C574 PolarHBondContact O-N 3.49Å
573	N	72.4	Confident	91.7	Very high	115 Å²	115	67.5 Å²	67.5	62%	0.615	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	20.5	173	-52	-32.1	0	0	0	116	Y571 V575	Y571-N573 PolarHBondContact O-N 3.14Å; N573-V575 PolarHBondContact O-N 3.01Å
574	C	90	Very high	91.5	Very high	48 Å²	48	71.1 Å²	71.1	32%	0.324	36%	0.355	S	S	.	.			trans	-85.4	111.4	178	174.8	0	0	0	0	111.6	R452 E572	R452-C574 VanDerWaalsContact CZ-O 3.23Å; R452-C574 PolarHBondContact NH1-O 3.23Å; R452-C574 PolarHBondContact NH2-O 3Å; E572-C574 PolarHBondContact O-N 3.49Å
575	V	96.7	Very high	91.5	Very high	34 Å²	34	70.5 Å²	70.5	21%	0.206	35%	0.351	C	S	.	.			trans	-76.9	136.9	175.8	-175.7	0	0	0	0	111.8	E419 M446 L447 N573 F577	E419-V575 HydrophobicContact CG-CB 4.35Å; E419-V575 HydrophobicContact CG-CG1 4.32Å; E419-V575 HydrophobicContact CG-CG2 3.81Å; E419-V575 WeakPolarHBondContact OE2-CG2 3.37Å; M446-V575 CarbonylContact O-C 3.52Å; M446-V575 VanDerWaalsContact O-CA 3.27Å; M446-V575 WeakPolarHBondContact O-CA 3.49Å; M446-V575 WeakPolarHBondContact O-CG1 3.11Å; L447-V575 HydrophobicContact CD2-CG1 4.23Å; L447-V575 HydrophobicContact CD2-CG2 4.49Å; N573-V575 PolarHBondContact O-N 3.01Å; V575-F577 HydrophobicContact CB-CE2 4.41Å; V575-F577 HydrophobicContact CG1-CD2 4.27Å; V575-F577 HydrophobicContact CG1-CE1 4.29Å; V575-F577 HydrophobicContact CG1-CE2 3.7Å; V575-F577 HydrophobicContact CG1-CZ 3.71Å
576	L	97.6	Very high	91.5	Very high	8 Å²	8	73.7 Å²	73.7	4%	0.042	37%	0.365	C	S	.	.			trans	-103.5	126.6	177.7	-56.3	-176.7	0	0	0	111.9	M446 F506 A509 F510	M446-L576 VanDerWaalsContact CB-O 3.26Å; M446-L576 WeakPolarHBondContact CB-O 3.48Å; M446-L576 VanDerWaalsContact CG-O 3.25Å; M446-L576 WeakPolarHBondContact CG-O 3.36Å; M446-L576 PolarHBondContact O-N 3.27Å; F506-L576 HydrophobicContact CB-CD1 4.32Å; F506-L576 HydrophobicContact CD1-CD2 3.96Å; F506-L576 HydrophobicContact CD2-CB 4.32Å; F506-L576 HydrophobicContact CD2-CD1 4Å; F506-L576 HydrophobicContact CD2-CD2 4.46Å; F506-L576 HydrophobicContact CE1-CD2 4.23Å; F506-L576 HydrophobicContact CE2-CB 4.07Å; F506-L576 HydrophobicContact CG-CD1 4.14Å; F506-L576 HydrophobicContact CG-CD2 4.08Å; F506-L576 HydrophobicContact CZ-CB 4.28Å; A509-L576 HydrophobicContact CB-CD1 3.82Å; A509-L576 HydrophobicContact CB-CD2 4.2Å; F510-L576 HydrophobicContact CE2-CD1 3.93Å; F510-L576 HydrophobicContact CZ-CD1 4Å
577	F	97.7	Very high	91.5	Very high	80 Å²	80	74.3 Å²	74.3	35%	0.351	37%	0.368	S	S	.	.			trans	-118.4	97.6	171.9	-69.8	-64.4	0	0	0	110.7	V412 A415 D416 E419 V575	V412-F577 HydrophobicContact CG1-CD1 4.01Å; V412-F577 HydrophobicContact CG2-CD1 4.48Å; A415-F577 HydrophobicContact CB-CE1 4.04Å; D416-F577 HydrophobicContact CB-CE1 3.99Å; D416-F577 HydrophobicContact CB-CZ 4.27Å; E419-F577 HydrophobicContact CB-CZ 4.46Å; V575-F577 HydrophobicContact CB-CE2 4.41Å; V575-F577 HydrophobicContact CG1-CD2 4.27Å; V575-F577 HydrophobicContact CG1-CE1 4.29Å; V575-F577 HydrophobicContact CG1-CE2 3.7Å; V575-F577 HydrophobicContact CG1-CZ 3.71Å
578	P	97.3	Very high	91.6	Very high	8 Å²	8	68.9 Å²	68.9	5%	0.052	34%	0.344	C	S	.	.			trans	-65.4	151.1	179.9	26.6	-34.8	0	0	0	112.3	L408 V412 M446 M502 F506 L580	L408-P578 HydrophobicContact CD2-CG 4.36Å; V412-P578 HydrophobicContact CG2-CG 3.9Å; M446-P578 HydrophobicContact CE-CG 3.8Å; M502-P578 HydrophobicContact CG-CB 4.34Å; M502-P578 HydrophobicContact CG-CG 4.31Å; F506-P578 HydrophobicContact CE2-CB 4.09Å; P578-L580 HydrophobicContact CG-CD2 4.35Å; P578-L580 PolarHBondContact O-N 3.29Å
579	L	96.3	Very high	91.5	Very high	97 Å²	97	69.6 Å²	69.6	51%	0.508	35%	0.352	S	S	.	.			trans	-74.6	120.5	171.5	-63.6	175.8	0	0	0	110.2	Q505 H584	Q505-L579 PolarHBondContact NE2-O 3.42Å; L579-H584 HydrophobicContact CB-CB 4.01Å; L579-H584 VanDerWaalsContact CD1-CD2 3.47Å; L579-H584 WeakPolarHBondContact CD1-CD2 3.34Å
580	L	94.1	Very high	91.5	Very high	48 Å²	48	66.8 Å²	66.8	25%	0.251	34%	0.339	S	S	.	.			trans	-96.8	18.2	-171.4	-54.4	173.2	0	0	0	113.8	R405 L408 V412 P578	R405-L580 WeakPolarHBondContact CD-O 3.24Å; R405-L580 WeakPolarHBondContact CG-O 3.31Å; L408-L580 HydrophobicContact CB-CD2 3.5Å; V412-L580 HydrophobicContact CB-CD1 4.14Å; V412-L580 HydrophobicContact CG1-CD1 4.28Å; V412-L580 HydrophobicContact CG2-CD1 4.16Å; V412-L580 HydrophobicContact CG2-CD2 4.13Å; V412-L580 HydrophobicContact CG2-CG 4.45Å; P578-L580 HydrophobicContact CG-CD2 4.35Å; P578-L580 PolarHBondContact O-N 3.29Å
581	S	91.7	Very high	91.8	Very high	35 Å²	35	62.1 Å²	62.1	25%	0.245	31%	0.31	C	S	.	.	S	Bend	trans	-87.1	141.7	176.7	169	0	0	0	0	109.6	R583 H584 L585	S581-R583 PolarHBondContact O-N 3.09Å; S581-R583 PolarHBondContact OG-N 3.37Å; S581-R583 PolarHBondContact OG-NE 2.81Å; S581-H584 PolarHBondContact O-N 2.7Å; S581-L585 PolarHBondContact O-N 2.78Å
582	S	86.9	Confident	92.6	Very high	80 Å²	80	56.8 Å²	56.8	56%	0.559	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-19.4	172.8	53.2	0	0	0	0	113.8	H584	S582-H584 VanDerWaalsContact C-N 3.29Å; S582-H584 PolarHBondContact O-N 2.83Å
583	R	91	Very high	93.3	Very high	215 Å²	215	49.4 Å²	49.4	81%	0.811	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-16.9	173.6	-63.5	179.7	-68.4	-162.9	1.2	114.4	S581	S581-R583 PolarHBondContact O-N 3.09Å; S581-R583 PolarHBondContact OG-N 3.37Å; S581-R583 PolarHBondContact OG-NE 2.81Å
584	H	94.3	Very high	94.2	Very high	78 Å²	78	45.2 Å²	45.2	36%	0.361	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-5.2	-176.7	-58.9	85.8	0	0	0	112.7	Q505 L579 S581 S582	Q505-H584 PolarHBondContact NE2-O 3.21Å; L579-H584 HydrophobicContact CB-CB 4.01Å; L579-H584 VanDerWaalsContact CD1-CD2 3.47Å; L579-H584 WeakPolarHBondContact CD1-CD2 3.34Å; S581-H584 PolarHBondContact O-N 2.7Å; S582-H584 VanDerWaalsContact C-N 3.29Å; S582-H584 PolarHBondContact O-N 2.83Å
585	L	96.5	Very high	94.1	Very high	11 Å²	11	45.1 Å²	45.1	6%	0.058	22%	0.223	C	C	.	.			trans	-95.1	131.6	171.5	-59.8	-176.7	0	0	0	108.7	L404 R405 L408 Q501 S581	L404-L585 HydrophobicContact CB-CD1 4.5Å; R405-L585 HydrophobicContact CB-CD1 3.61Å; R405-L585 HydrophobicContact CG-CD1 4.23Å; L408-L585 HydrophobicContact CD1-CD2 3.88Å; Q501-L585 HydrophobicContact CB-CD2 4.12Å; Q501-L585 HydrophobicContact CG-CD2 4.04Å; S581-L585 PolarHBondContact O-N 2.78Å
586	E	96.1	Very high	93.7	Very high	84 Å²	84	44.3 Å²	44.3	39%	0.393	22%	0.218	S	C	.	.			trans	-109.3	148.5	-176.8	-64	177.7	-143.4	0	0	109.8	W500 Q501 R504 W588	W500-E586 HydrophobicContact CH2-CB 3.72Å; W500-E586 HydrophobicContact CZ3-CB 3.9Å; W500-E586 WeakPolarHBondContact CZ3-O 3.42Å; Q501-E586 PolarHBondContact NE2-O 2.86Å; R504-E586 IonicContact CZ-OE1 2.77Å; R504-E586 IonicContact NE-OE1 2.92Å; R504-E586 IonicContact NE-OE2 2.99Å; R504-E586 IonicContact NH2-OE1 3.3Å; R504-E586 PolarHBondContact NH2-OE1 3.07Å; R504-E586 VanDerWaalsContact NH2-OE1 3.14Å; R504-E586 IonicContact NH2-OE2 3.6Å; E586-W588 PolarHBondContact O-N 2.76Å
587	L	95.6	Very high	93	Very high	23 Å²	23	46.4 Å²	46.4	12%	0.12	23%	0.232	C	C	.	.			trans	-70.2	126.9	164.8	179.8	70.2	0	0	0	108.4	I382 W391 I395 T589 Y592	I382-L587 HydrophobicContact CD1-CD2 4.11Å; W391-L587 HydrophobicContact CH2-CD2 3.47Å; W391-L587 VanDerWaalsContact CH2-CD2 3.47Å; W391-L587 HydrophobicContact CZ2-CD2 3.51Å; I395-L587 HydrophobicContact CD1-CD2 3.89Å; L587-T589 HydrophobicContact CD2-CG2 4.25Å; L587-T589 HydrophobicContact CG-CG2 4.41Å; L587-T589 PolarHBondContact O-N 3.07Å; L587-Y592 HydrophobicContact CD1-CD2 3.88Å; L587-Y592 HydrophobicContact CD1-CE2 4.47Å
588	W	96.3	Very high	92.3	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.257	C	S	.	.			trans	-73.1	73.6	177.3	-170.5	9.5	0	0	0	112.3	I496 D497 W500 E514 L517 I518 L521 E586 S590 Y591 Y592	I496-W588 HydrophobicContact CG2-CH2 3.85Å; I496-W588 HydrophobicContact CG2-CZ3 3.87Å; D497-W588 HydrophobicContact CB-CE3 4.19Å; W500-W588 HydrophobicContact CB-CD2 4.1Å; W500-W588 HydrophobicContact CB-CE3 4Å; W500-W588 HydrophobicContact CB-CH2 4.18Å; W500-W588 HydrophobicContact CB-CZ2 4.24Å; W500-W588 HydrophobicContact CB-CZ3 4.05Å; W500-W588 AromaticContact CD1-CD1 3.9Å; W500-W588 AromaticContact CD1-CD2 3.9Å; W500-W588 AromaticContact CD1-CE2 3.37Å; W500-W588 AromaticContact CD1-CZ2 3.66Å; W500-W588 AromaticContact CD1-NE1 3.39Å; W500-W588 HydrophobicContact CD2-CB 3.98Å; W500-W588 AromaticContact CD2-CD1 3.71Å; W500-W588 AromaticContact CD2-CD2 3.81Å; W500-W588 HydrophobicContact CD2-CD2 3.81Å; W500-W588 HydrophobicContact CD2-CE3 4.43Å; W500-W588 AromaticContact CD2-CG 3.59Å; W500-W588 HydrophobicContact CD2-CG 3.59Å; W500-W588 AromaticContact CD2-NE1 4Å; W500-W588 AromaticContact CE2-CD1 3.25Å; W500-W588 AromaticContact CE2-CG 3.64Å; W500-W588 AromaticContact CE2-NE1 3.56Å; W500-W588 HydrophobicContact CE3-CB 3.73Å; W500-W588 HydrophobicContact CE3-CD2 4.33Å; W500-W588 AromaticContact CE3-CG 3.89Å; W500-W588 HydrophobicContact CE3-CG 3.89Å; W500-W588 AromaticContact CG-CD2 3.68Å; W500-W588 HydrophobicContact CG-CD2 3.68Å; W500-W588 AromaticContact CG-CE2 3.64Å; W500-W588 HydrophobicContact CG-CE3 4.09Å; W500-W588 AromaticContact CG-CG 4Å; W500-W588 HydrophobicContact CG-CG 4Å; W500-W588 HydrophobicContact CG-CH2 4.44Å; W500-W588 HydrophobicContact CG-CZ2 4.02Å; W500-W588 HydrophobicContact CG-CZ3 4.47Å; W500-W588 AromaticContact CG-NE1 3.91Å; W500-W588 HydrophobicContact CH2-CB 4.01Å; W500-W588 HydrophobicContact CH2-CG 4.3Å; W500-W588 HydrophobicContact CZ2-CB 4.21Å; W500-W588 AromaticContact CZ2-CD1 3.52Å; W500-W588 AromaticContact CZ2-CG 4Å; W500-W588 HydrophobicContact CZ2-CG 4Å; W500-W588 HydrophobicContact CZ3-CB 3.76Å; W500-W588 HydrophobicContact CZ3-CG 4.24Å; W500-W588 AromaticContact NE1-CD1 3.36Å; W500-W588 AromaticContact NE1-CE2 3.64Å; W500-W588 AromaticContact NE1-CG 3.99Å; W500-W588 AromaticContact NE1-NE1 3.12Å; W500-W588 VanDerWaalsContact NE1-NE1 3.12Å; E514-W588 HydrophobicContact CG-CZ2 4.12Å; E514-W588 PolarHBondContact OE1-NE1 3.07Å; L517-W588 HydrophobicContact CB-CH2 3.72Å; L517-W588 HydrophobicContact CB-CZ2 4.09Å; L517-W588 HydrophobicContact CD1-CH2 4.49Å; I518-W588 HydrophobicContact CD1-CZ2 4.36Å; I518-W588 HydrophobicContact CG1-CH2 4.31Å; I518-W588 HydrophobicContact CG1-CZ2 3.62Å; L521-W588 HydrophobicContact CD1-CH2 3.99Å; L521-W588 HydrophobicContact CD1-CZ3 3.77Å; E586-W588 PolarHBondContact O-N 2.76Å; W588-S590 VanDerWaalsContact C-N 3.29Å; W588-S590 PolarHBondContact O-N 2.99Å; W588-Y591 HydrophobicContact CD2-CG 4.37Å; W588-Y591 HydrophobicContact CE3-CD1 4.35Å; W588-Y591 HydrophobicContact CE3-CG 4.3Å; W588-Y591 HydrophobicContact CZ3-CG 4.43Å; W588-Y591 PolarHBondContact O-N 3.15Å; W588-Y592 HydrophobicContact CB-CD2 3.9Å; W588-Y592 HydrophobicContact CB-CE2 3.83Å; W588-Y592 VanDerWaalsContact O-CD2 3.31Å; W588-Y592 WeakPolarHBondContact O-CD2 3.12Å; W588-Y592 PolarHBondContact O-N 2.79Å
589	T	92.9	Very high	91.6	Very high	45 Å²	45	55.5 Å²	55.5	28%	0.276	27%	0.266	S	S	.	.	H	α-helix	trans	-59.8	-36.6	-175.6	51.9	0	0	0	0	112.8	L587 Y591 A593 R594 M599	L587-T589 HydrophobicContact CD2-CG2 4.25Å; L587-T589 HydrophobicContact CG-CG2 4.41Å; L587-T589 PolarHBondContact O-N 3.07Å; T589-Y591 PolarHBondContact O-N 2.83Å; T589-Y591 VanDerWaalsContact O-N 3.17Å; T589-A593 CarbonylContact O-C 3.57Å; T589-A593 WeakPolarHBondContact O-CA 3.45Å; T589-A593 WeakPolarHBondContact O-CB 3.41Å; T589-A593 PolarHBondContact O-N 2.85Å; T589-R594 PolarHBondContact O-N 3.33Å; T589-M599 HydrophobicContact CG2-CE 3.8Å
590	S	92.9	Very high	90.8	Very high	20 Å²	20	53.1 Å²	53.1	14%	0.14	25%	0.25	C	C	.	.	H	α-helix	trans	-61.3	-19.1	175.3	-58.1	0	0	0	0	114.2	E514 W588 R594	E514-S590 WeakPolarHBondContact OE1-CB 3.42Å; E514-S590 PolarHBondContact OE1-OG 3.49Å; W588-S590 VanDerWaalsContact C-N 3.29Å; W588-S590 PolarHBondContact O-N 2.99Å; S590-R594 VanDerWaalsContact O-CB 3.26Å; S590-R594 WeakPolarHBondContact O-CB 3.18Å
591	Y	95	Very high	89.8	Confident	4 Å²	4	53.4 Å²	53.4	2%	0.016	26%	0.255	C	S	.	.	H	α-helix	trans	-104.2	-58.4	173.8	-179.6	-110.2	0	0	0	111.2	V493 I518 L521 W588 T589 A593 R594	V493-Y591 HydrophobicContact CG1-CE1 3.83Å; I518-Y591 HydrophobicContact CG1-CD2 4.37Å; I518-Y591 HydrophobicContact CG2-CD2 4.49Å; L521-Y591 HydrophobicContact CB-CD2 4.43Å; L521-Y591 HydrophobicContact CB-CE2 3.55Å; L521-Y591 HydrophobicContact CD1-CD1 4.1Å; L521-Y591 HydrophobicContact CD1-CD2 3.92Å; L521-Y591 HydrophobicContact CD1-CE1 3.75Å; L521-Y591 HydrophobicContact CD1-CE2 3.55Å; L521-Y591 HydrophobicContact CD1-CG 4.19Å; L521-Y591 VanDerWaalsContact CD1-CZ 3.46Å; L521-Y591 HydrophobicContact CG-CE2 4.19Å; W588-Y591 HydrophobicContact CD2-CG 4.37Å; W588-Y591 HydrophobicContact CE3-CD1 4.35Å; W588-Y591 HydrophobicContact CE3-CG 4.3Å; W588-Y591 HydrophobicContact CZ3-CG 4.43Å; W588-Y591 PolarHBondContact O-N 3.15Å; T589-Y591 PolarHBondContact O-N 2.83Å; T589-Y591 VanDerWaalsContact O-N 3.17Å; Y591-A593 PolarHBondContact O-N 2.92Å; Y591-R594 WeakPolarHBondContact O-CD 3.32Å; Y591-R594 VanDerWaalsContact O-CG 3.31Å; Y591-R594 WeakPolarHBondContact O-CG 3.44Å
592	Y	95.3	Very high	89.1	Confident	2 Å²	2	56.8 Å²	56.8	1%	0.008	27%	0.267	C	S	.	.	H	α-helix	trans	-71.9	-32.4	-171.6	-61.7	-59.9	0	0	0	114.1	I171 L375 M378 I382 W400 V493 D497 L587 W588	I171-Y592 HydrophobicContact CG1-CD1 4.18Å; L375-Y592 HydrophobicContact CD1-CD1 4.46Å; L375-Y592 HydrophobicContact CD1-CE1 3.99Å; M378-Y592 HydrophobicContact CE-CD1 3.41Å; M378-Y592 VanDerWaalsContact CE-CD1 3.41Å; M378-Y592 HydrophobicContact CE-CD2 3.82Å; M378-Y592 HydrophobicContact CE-CE1 3.3Å; M378-Y592 HydrophobicContact CE-CE2 3.71Å; M378-Y592 HydrophobicContact CE-CG 3.68Å; M378-Y592 VanDerWaalsContact CE-CZ 3.46Å; M378-Y592 HydrophobicContact SD-CD1 3.4Å; M378-Y592 WeakPolarHBondContact SD-CD1 3.4Å; M378-Y592 HydrophobicContact SD-CD2 4.1Å; M378-Y592 HydrophobicContact SD-CE1 3.96Å; M378-Y592 HydrophobicContact SD-CG 3.49Å; I382-Y592 WeakPolarHBondContact CG2-O 3.46Å; W400-Y592 WeakPolarHBondContact CZ2-OH 3.07Å; W400-Y592 AromaticContact NE1-CE2 3.81Å; W400-Y592 AromaticContact NE1-CZ 3.69Å; W400-Y592 PolarHBondContact NE1-OH 3.01Å; V493-Y592 HydrophobicContact CG1-CE1 4.31Å; D497-Y592 VanDerWaalsContact OD2-CE2 3.27Å; D497-Y592 WeakPolarHBondContact OD2-CE2 3.33Å; D497-Y592 PolarHBondContact OD2-OH 3.43Å; L587-Y592 HydrophobicContact CD1-CD2 3.88Å; L587-Y592 HydrophobicContact CD1-CE2 4.47Å; W588-Y592 HydrophobicContact CB-CD2 3.9Å; W588-Y592 HydrophobicContact CB-CE2 3.83Å; W588-Y592 VanDerWaalsContact O-CD2 3.31Å; W588-Y592 WeakPolarHBondContact O-CD2 3.12Å; W588-Y592 PolarHBondContact O-N 2.79Å
593	A	92	Very high	88.6	Confident	2 Å²	2	57.3 Å²	57.3	2%	0.017	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	11.7	-176.3	0	0	0	0	0	113.6	I382 T589 Y591 W595 N596 M599	I382-A593 HydrophobicContact CG2-CB 3.75Å; T589-A593 CarbonylContact O-C 3.57Å; T589-A593 WeakPolarHBondContact O-CA 3.45Å; T589-A593 WeakPolarHBondContact O-CB 3.41Å; T589-A593 PolarHBondContact O-N 2.85Å; Y591-A593 PolarHBondContact O-N 2.92Å; A593-W595 PolarHBondContact O-N 3.07Å; A593-N596 PolarHBondContact O-N 3.31Å; A593-M599 HydrophobicContact CB-CB 3.8Å; A593-M599 HydrophobicContact CB-CE 4.22Å; A593-M599 HydrophobicContact CB-CG 4.27Å; A593-M599 HydrophobicContact CB-SD 3.45Å; A593-M599 WeakPolarHBondContact CB-SD 3.24Å
594	R	91.3	Very high	88	Confident	27 Å²	27	48.7 Å²	48.7	10%	0.102	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-21	-172.8	72.3	-173.4	172.3	164.5	-1.9	115.4	D170 I518 D522 T589 S590 Y591 R600	D170-R594 IonicContact OD2-NH2 3.82Å; I518-R594 VanDerWaalsContact CG2-NH1 3.31Å; D522-R594 VanDerWaalsContact CG-NH1 3.27Å; D522-R594 IonicContact OD1-CZ 3.33Å; D522-R594 IonicContact OD1-NH1 2.75Å; D522-R594 PolarHBondContact OD1-NH1 3.25Å; D522-R594 IonicContact OD1-NH2 2.87Å; D522-R594 PolarHBondContact OD1-NH2 3.37Å; D522-R594 IonicContact OD2-CZ 3.42Å; D522-R594 IonicContact OD2-NH1 3.22Å; D522-R594 PolarHBondContact OD2-NH1 3.24Å; T589-R594 PolarHBondContact O-N 3.33Å; S590-R594 VanDerWaalsContact O-CB 3.26Å; S590-R594 WeakPolarHBondContact O-CB 3.18Å; Y591-R594 WeakPolarHBondContact O-CD 3.32Å; Y591-R594 VanDerWaalsContact O-CG 3.31Å; Y591-R594 WeakPolarHBondContact O-CG 3.44Å; R594-R600 VanDerWaalsContact O-CD 3.31Å; R594-R600 WeakPolarHBondContact O-CD 3.32Å
595	W	89.1	Confident	87.5	Confident	47 Å²	47	48.2 Å²	48.2	18%	0.178	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-22.4	177.7	-52.2	119.9	0	0	0	113.1	F111 D170 R172 Y383 A593 P597	F111-W595 WeakPolarHBondContact CE2-O 3.03Å; D170-W595 HydrophobicContact CB-CZ2 4.43Å; D170-W595 PolarHBondContact O-NE1 3.12Å; D170-W595 VanDerWaalsContact OD2-CZ2 3.23Å; D170-W595 WeakPolarHBondContact OD2-CZ2 3.15Å; R172-W595 HydrophobicContact CB-CG 3.97Å; R172-W595 HydrophobicContact CG-CD2 4.36Å; R172-W595 HydrophobicContact CG-CG 4.31Å; Y383-W595 HydrophobicContact CE2-CB 4.44Å; A593-W595 PolarHBondContact O-N 3.07Å; W595-P597 VanDerWaalsContact O-CD 3.28Å; W595-P597 WeakPolarHBondContact O-CD 3.45Å
596	N	87.4	Confident	86.9	Confident	17 Å²	17	50.4 Å²	50.4	9%	0.091	25%	0.25	C	S	.	.	S	Bend	trans	-80.8	114.1	176.9	-176	-23.2	0	0	0	109.4	F111 A593 R598 M599 R600	F111-N596 HydrophobicContact CE1-CB 3.89Å; F111-N596 HydrophobicContact CZ-CB 3.99Å; A593-N596 PolarHBondContact O-N 3.31Å; N596-R598 PolarHBondContact O-N 2.84Å; N596-R598 WeakPolarHBondContact OD1-CB 3.26Å; N596-R598 PolarHBondContact OD1-N 3.29Å; N596-M599 HydrophobicContact CB-CB 4.24Å; N596-M599 HydrophobicContact CB-CG 4.38Å; N596-M599 PolarHBondContact O-N 3.15Å; N596-M599 VanDerWaalsContact O-N 3.1Å; N596-R600 PolarHBondContact O-N 3.39Å; N596-R600 VanDerWaalsContact O-N 3.09Å
597	P	83.8	Confident	86.4	Confident	52 Å²	52	50 Å²	50	34%	0.338	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-20.1	-177.4	-23.5	34.8	0	0	0	114.3	F111 W595 Q602	F111-P597 HydrophobicContact CB-CG 4.08Å; F111-P597 HydrophobicContact CD2-CG 4.21Å; F111-P597 VanDerWaalsContact CG-CD 3.46Å; F111-P597 HydrophobicContact CG-CG 4.14Å; W595-P597 VanDerWaalsContact O-CD 3.28Å; W595-P597 WeakPolarHBondContact O-CD 3.45Å; P597-Q602 PolarHBondContact O-NE2 3.39Å
598	R	82.3	Confident	86.1	Confident	229 Å²	229	52 Å²	52	86%	0.864	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-26.1	179.1	-61.7	-176.9	177.7	177.4	0.1	113.5	N596	N596-R598 PolarHBondContact O-N 2.84Å; N596-R598 WeakPolarHBondContact OD1-CB 3.26Å; N596-R598 PolarHBondContact OD1-N 3.29Å
599	M	83	Confident	85.8	Confident	49 Å²	49	53.1 Å²	53.1	24%	0.241	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-28.8	-179	-70.5	-156.4	83.7	0	0	113.5	I386 W391 T589 A593 N596	I386-M599 HydrophobicContact CD1-CE 4.4Å; I386-M599 HydrophobicContact CD1-CG 3.8Å; I386-M599 HydrophobicContact CD1-SD 3.04Å; I386-M599 WeakPolarHBondContact CD1-SD 3.5Å; W391-M599 HydrophobicContact CH2-CE 3.82Å; W391-M599 HydrophobicContact CH2-SD 4.35Å; W391-M599 HydrophobicContact CZ2-CE 4.02Å; T589-M599 HydrophobicContact CG2-CE 3.8Å; A593-M599 HydrophobicContact CB-CB 3.8Å; A593-M599 HydrophobicContact CB-CE 4.22Å; A593-M599 HydrophobicContact CB-CG 4.27Å; A593-M599 HydrophobicContact CB-SD 3.45Å; A593-M599 WeakPolarHBondContact CB-SD 3.24Å; N596-M599 HydrophobicContact CB-CB 4.24Å; N596-M599 HydrophobicContact CB-CG 4.38Å; N596-M599 PolarHBondContact O-N 3.15Å; N596-M599 VanDerWaalsContact O-N 3.1Å
600	R	79.2	Confident	85.6	Confident	47 Å²	47	54.2 Å²	54.2	18%	0.177	27%	0.268	C	S	.	.	S	Bend	trans	-68	149.1	-178.4	73	-175.3	-173	173.2	0.5	111.7	R594 N596 Q602	R594-R600 VanDerWaalsContact O-CD 3.31Å; R594-R600 WeakPolarHBondContact O-CD 3.32Å; N596-R600 PolarHBondContact O-N 3.39Å; N596-R600 VanDerWaalsContact O-N 3.09Å; R600-Q602 PolarHBondContact O-N 3.08Å; R600-Q602 PolarHBondContact O-NE2 2.69Å
601	P	73.4	Confident	85.5	Confident	54 Å²	54	57.5 Å²	57.5	35%	0.351	29%	0.285	S	S	.	.			trans	-53.7	130.1	168.9	-25.4	34.4	0	0	0	111.2	V603 V605	P601-V603 VanDerWaalsContact C-N 3.29Å; P601-V605 HydrophobicContact CB-CG2 4.37Å
602	Q	77	Confident	85.4	Confident	107 Å²	107	60.2 Å²	60.2	50%	0.5	30%	0.299	S	S	.	.	S	Bend	trans	-79.9	-14.7	-179.3	-58.5	-58.8	-59.9	0	0	113	W72 P597 R600	W72-Q602 WeakPolarHBondContact CH2-O 3.32Å; P597-Q602 PolarHBondContact O-NE2 3.39Å; R600-Q602 PolarHBondContact O-N 3.08Å; R600-Q602 PolarHBondContact O-NE2 2.69Å
603	V	77.1	Confident	85.2	Confident	90 Å²	90	61.8 Å²	61.8	55%	0.545	31%	0.307	S	S	.	.	S	Bend	trans	-118.5	138.2	177.7	-176.9	0	0	0	0	107.5	P601 V605	P601-V603 VanDerWaalsContact C-N 3.29Å; V603-V605 PolarHBondContact O-N 2.93Å
604	P	76.8	Confident	85.1	Confident	34 Å²	34	69.2 Å²	69.2	22%	0.221	34%	0.339	C	S	.	.			trans	-75.2	104.2	-178.8	11	5.1	0	0	0	107.6	W72 H606 Q607 T608	W72-P604 HydrophobicContact CE3-CB 4.13Å; W72-P604 HydrophobicContact CE3-CG 4.2Å; W72-P604 HydrophobicContact CH2-CB 3.87Å; W72-P604 HydrophobicContact CH2-CG 3.24Å; W72-P604 VanDerWaalsContact CH2-N 3.29Å; W72-P604 HydrophobicContact CZ2-CG 4.04Å; W72-P604 HydrophobicContact CZ3-CB 3.35Å; W72-P604 HydrophobicContact CZ3-CG 3.29Å; W72-P604 VanDerWaalsContact CZ3-N 3.31Å; P604-H606 VanDerWaalsContact CB-CE1 3.42Å; P604-H606 WeakPolarHBondContact CB-CE1 3.17Å; P604-H606 PolarHBondContact O-N 3.08Å; P604-Q607 HydrophobicContact CB-CB 3.96Å; P604-Q607 HydrophobicContact CG-CB 3.93Å; P604-Q607 WeakPolarHBondContact O-CB 3.43Å; P604-Q607 PolarHBondContact O-N 2.77Å; P604-T608 PolarHBondContact O-N 3.21Å
605	V	83.9	Confident	85.2	Confident	69 Å²	69	72.2 Å²	72.2	42%	0.418	36%	0.357	S	S	.	.	H	α-helix	trans	-54.7	-42.8	-177.8	179.2	0	0	0	0	110.5	P601 V603 Q607 T608 L609	P601-V605 HydrophobicContact CB-CG2 4.37Å; V603-V605 PolarHBondContact O-N 2.93Å; V605-Q607 VanDerWaalsContact C-N 3.31Å; V605-Q607 PolarHBondContact O-N 3.29Å; V605-T608 WeakPolarHBondContact O-CB 3.43Å; V605-T608 PolarHBondContact O-N 3.38Å; V605-T608 VanDerWaalsContact O-N 3.14Å; V605-L609 HydrophobicContact CG1-CD1 4.32Å; V605-L609 HydrophobicContact CG1-CG 4.33Å; V605-L609 WeakPolarHBondContact O-CG 3.28Å; V605-L609 PolarHBondContact O-N 3.02Å
606	H	84.1	Confident	85.3	Confident	57 Å²	57	74.9 Å²	74.9	26%	0.264	37%	0.367	S	S	.	.	H	α-helix	trans	-59.2	-36.9	177.5	69.8	-88.7	0	0	0	113.7	L515 E562 P604 T608 L609 K610	L515-H606 HydrophobicContact CB-CB 3.89Å; L515-H606 HydrophobicContact CD2-CB 3.79Å; L515-H606 HydrophobicContact CG-CB 4.39Å; E562-H606 IonicContact OE2-CD2 3.38Å; P604-H606 VanDerWaalsContact CB-CE1 3.42Å; P604-H606 WeakPolarHBondContact CB-CE1 3.17Å; P604-H606 PolarHBondContact O-N 3.08Å; H606-T608 VanDerWaalsContact C-N 3.34Å; H606-L609 PolarHBondContact O-N 3.23Å; H606-K610 WeakPolarHBondContact O-CB 3.44Å; H606-K610 PolarHBondContact O-N 3.31Å
607	Q	86.3	Confident	85.4	Confident	74 Å²	74	76.7 Å²	76.7	35%	0.346	38%	0.384	S	S	.	.	H	α-helix	trans	-65.3	-43	177.4	-175.7	63	60.3	0	0	110.1	P604 V605 L609 K610 D611	P604-Q607 HydrophobicContact CB-CB 3.96Å; P604-Q607 HydrophobicContact CG-CB 3.93Å; P604-Q607 WeakPolarHBondContact O-CB 3.43Å; P604-Q607 PolarHBondContact O-N 2.77Å; V605-Q607 VanDerWaalsContact C-N 3.31Å; V605-Q607 PolarHBondContact O-N 3.29Å; Q607-L609 VanDerWaalsContact C-N 3.32Å; Q607-L609 PolarHBondContact O-N 3.42Å; Q607-K610 PolarHBondContact O-N 3.33Å; Q607-D611 PolarHBondContact NE2-OD1 3.32Å; Q607-D611 PolarHBondContact O-N 2.87Å
608	T	88.3	Confident	85.9	Confident	65 Å²	65	76.2 Å²	76.2	40%	0.399	38%	0.378	S	S	.	.	H	α-helix	trans	-60.1	-42.9	173	-52.8	0	0	0	0	111.3	P604 V605 H606 K610 D611 L612	P604-T608 PolarHBondContact O-N 3.21Å; V605-T608 WeakPolarHBondContact O-CB 3.43Å; V605-T608 PolarHBondContact O-N 3.38Å; V605-T608 VanDerWaalsContact O-N 3.14Å; H606-T608 VanDerWaalsContact C-N 3.34Å; T608-K610 VanDerWaalsContact C-N 3.34Å; T608-K610 PolarHBondContact O-N 2.86Å; T608-D611 PolarHBondContact O-N 3.14Å; T608-L612 HydrophobicContact CG2-CD1 4.47Å; T608-L612 VanDerWaalsContact O-CG 3.28Å; T608-L612 WeakPolarHBondContact O-CG 3.49Å; T608-L612 PolarHBondContact O-N 2.93Å
609	L	90.4	Very high	86.3	Confident	24 Å²	24	69.7 Å²	69.7	13%	0.126	36%	0.359	C	S	.	.	H	α-helix	trans	-63	-40.5	177.3	-63.6	179.9	0	0	0	112	N513 P566 F567 V605 H606 Q607 L612 L613	N513-L609 HydrophobicContact CB-CD1 3.69Å; P566-L609 HydrophobicContact CG-CB 4.14Å; P566-L609 HydrophobicContact CG-CD2 3.83Å; F567-L609 HydrophobicContact CD2-CD2 4.45Å; F567-L609 HydrophobicContact CE2-CD2 3.85Å; V605-L609 HydrophobicContact CG1-CD1 4.32Å; V605-L609 HydrophobicContact CG1-CG 4.33Å; V605-L609 WeakPolarHBondContact O-CG 3.28Å; V605-L609 PolarHBondContact O-N 3.02Å; H606-L609 PolarHBondContact O-N 3.23Å; Q607-L609 VanDerWaalsContact C-N 3.32Å; Q607-L609 PolarHBondContact O-N 3.42Å; L609-L612 WeakPolarHBondContact O-CB 3.34Å; L609-L612 PolarHBondContact O-N 3.26Å; L609-L613 PolarHBondContact O-N 2.95Å
610	K	89.3	Confident	86.7	Confident	68 Å²	68	71.8 Å²	71.8	30%	0.296	37%	0.368	S	S	.	.	H	α-helix	trans	-64.8	-43.4	175.4	-174.7	179.9	177.5	-177.3	0	112	E562 H606 Q607 T608 L612 L613 F614	E562-K610 WeakPolarHBondContact OE1-CD 3.21Å; E562-K610 WeakPolarHBondContact OE1-CE 3.45Å; E562-K610 IonicContact OE1-NZ 2.59Å; E562-K610 PolarHBondContact OE1-NZ 2.99Å; H606-K610 WeakPolarHBondContact O-CB 3.44Å; H606-K610 PolarHBondContact O-N 3.31Å; Q607-K610 PolarHBondContact O-N 3.33Å; T608-K610 VanDerWaalsContact C-N 3.34Å; T608-K610 PolarHBondContact O-N 2.86Å; K610-L612 VanDerWaalsContact C-N 3.26Å; K610-L612 PolarHBondContact O-N 3.05Å; K610-L613 WeakPolarHBondContact O-CB 3.44Å; K610-L613 PolarHBondContact O-N 3.12Å; K610-L613 VanDerWaalsContact O-N 3.15Å; K610-F614 PolarHBondContact O-N 2.78Å; K610-F614 VanDerWaalsContact O-N 3.11Å
611	D	90.6	Very high	87.4	Confident	90 Å²	90	74.6 Å²	74.6	48%	0.481	38%	0.379	S	S	.	.	H	α-helix	trans	-62.5	-37.4	176.2	-63.9	-14.6	0	0	0	110.7	Q607 T608 F614 L615	Q607-D611 PolarHBondContact NE2-OD1 3.32Å; Q607-D611 PolarHBondContact O-N 2.87Å; T608-D611 PolarHBondContact O-N 3.14Å; D611-F614 PolarHBondContact O-N 3.43Å; D611-L615 WeakPolarHBondContact O-CB 3.24Å; D611-L615 PolarHBondContact O-N 2.91Å
612	L	92.9	Very high	88.3	Confident	60 Å²	60	78.5 Å²	78.5	31%	0.314	39%	0.387	S	S	.	.	H	α-helix	trans	-65.5	-36.5	173.5	-72.6	173.3	0	0	0	112.9	P566 F567 T608 L609 K610 L615 R616	P566-L612 HydrophobicContact CB-CB 4Å; P566-L612 HydrophobicContact CG-CB 3.94Å; P566-L612 HydrophobicContact CG-CD1 4.25Å; F567-L612 HydrophobicContact CE1-CD1 4.46Å; F567-L612 HydrophobicContact CE2-CD1 4.31Å; F567-L612 HydrophobicContact CZ-CD1 3.71Å; T608-L612 HydrophobicContact CG2-CD1 4.47Å; T608-L612 VanDerWaalsContact O-CG 3.28Å; T608-L612 WeakPolarHBondContact O-CG 3.49Å; T608-L612 PolarHBondContact O-N 2.93Å; L609-L612 WeakPolarHBondContact O-CB 3.34Å; L609-L612 PolarHBondContact O-N 3.26Å; K610-L612 VanDerWaalsContact C-N 3.26Å; K610-L612 PolarHBondContact O-N 3.05Å; L612-L615 PolarHBondContact O-N 3.49Å; L612-R616 WeakPolarHBondContact O-CB 3.37Å; L612-R616 PolarHBondContact O-N 3.33Å
613	L	91.3	Very high	89	Confident	36 Å²	36	77.1 Å²	77.1	19%	0.188	39%	0.386	C	S	.	.	H	α-helix	trans	-61.8	-45.6	173.2	-73	169.6	0	0	0	111.3	S561 T564 P566 L609 K610 R616 A617	S561-L613 WeakPolarHBondContact O-CD1 3.38Å; T564-L613 HydrophobicContact CG2-CD1 4.18Å; T564-L613 HydrophobicContact CG2-CD2 3.99Å; P566-L613 HydrophobicContact CB-CD2 3.76Å; P566-L613 HydrophobicContact CB-CG 3.94Å; L609-L613 PolarHBondContact O-N 2.95Å; K610-L613 WeakPolarHBondContact O-CB 3.44Å; K610-L613 PolarHBondContact O-N 3.12Å; K610-L613 VanDerWaalsContact O-N 3.15Å; L613-R616 PolarHBondContact O-N 3.28Å; L613-A617 PolarHBondContact O-N 2.96Å
614	F	91	Very high	89.8	Confident	157 Å²	157	78.9 Å²	78.9	69%	0.689	39%	0.388	S	S	*	.	H	α-helix	trans	-62.2	-45.5	177.1	-178.6	-95.2	0	0	0	111.5	K610 D611 R616 A617 E618	K610-F614 PolarHBondContact O-N 2.78Å; K610-F614 VanDerWaalsContact O-N 3.11Å; D611-F614 PolarHBondContact O-N 3.43Å; F614-R616 VanDerWaalsContact C-N 3.34Å; F614-R616 PolarHBondContact O-N 2.64Å; F614-A617 PolarHBondContact O-N 3.38Å; F614-E618 PolarHBondContact O-N 3.04Å
615	L	92.6	Very high	90.5	Very high	90 Å²	90	81.3 Å²	81.3	47%	0.471	40%	0.396	S	S	.	.	H	α-helix	trans	-61.6	-42.1	177.2	-177.8	61.1	0	0	0	111.9	D611 L612 E618 L619	D611-L615 WeakPolarHBondContact O-CB 3.24Å; D611-L615 PolarHBondContact O-N 2.91Å; L612-L615 PolarHBondContact O-N 3.49Å; L615-E618 PolarHBondContact O-N 3.33Å; L615-L619 HydrophobicContact CD1-CD1 4.34Å; L615-L619 HydrophobicContact CD1-CG 4.34Å; L615-L619 HydrophobicContact CG-CD1 4.1Å; L615-L619 WeakPolarHBondContact O-CB 3.32Å; L615-L619 VanDerWaalsContact O-CG 3.28Å; L615-L619 WeakPolarHBondContact O-CG 3.24Å; L615-L619 PolarHBondContact O-N 3.2Å
616	R	90.3	Very high	90.9	Very high	104 Å²	104	84.1 Å²	84.1	39%	0.392	41%	0.408	S	S	.	.	H	α-helix	trans	-59.8	-47.6	176.3	178.6	179.7	172	179.5	-3.9	111.4	P566 L612 L613 F614 E618 L619 Q620	P566-R616 PolarHBondContact O-NH1 2.83Å; L612-R616 WeakPolarHBondContact O-CB 3.37Å; L612-R616 PolarHBondContact O-N 3.33Å; L613-R616 PolarHBondContact O-N 3.28Å; F614-R616 VanDerWaalsContact C-N 3.34Å; F614-R616 PolarHBondContact O-N 2.64Å; R616-E618 PolarHBondContact O-N 3.35Å; R616-L619 PolarHBondContact O-N 3.04Å; R616-Q620 WeakPolarHBondContact O-CG 3.33Å; R616-Q620 PolarHBondContact O-N 3.09Å
617	A	90.8	Very high	90.9	Very high	54 Å²	54	87.7 Å²	87.7	45%	0.446	43%	0.429	S	S	.	.	H	α-helix	trans	-61.9	-43.1	179.3	0	0	0	0	0	112.1	L613 F614 Q620 R621	L613-A617 PolarHBondContact O-N 2.96Å; F614-A617 PolarHBondContact O-N 3.38Å; A617-Q620 PolarHBondContact O-N 3.09Å; A617-R621 PolarHBondContact O-N 3.37Å
618	E	92.9	Very high	90.6	Very high	43 Å²	43	89 Å²	89	20%	0.201	44%	0.443	C	S	.	.	H	α-helix	trans	-64.3	-40.5	176.5	172.8	58.5	-169.3	0	0	112.3	F614 L615 R616 R621 R622	F614-E618 PolarHBondContact O-N 3.04Å; L615-E618 PolarHBondContact O-N 3.33Å; R616-E618 PolarHBondContact O-N 3.35Å; E618-R621 VanDerWaalsContact CD-NH2 3.26Å; E618-R621 IonicContact OE1-CZ 2.85Å; E618-R621 IonicContact OE1-NH2 3.85Å; E618-R621 PolarHBondContact OE1-NH2 3.21Å; E618-R621 IonicContact OE2-CZ 2.84Å; E618-R621 IonicContact OE2-NE 2.85Å; E618-R621 PolarHBondContact OE2-NE 3.28Å; E618-R621 IonicContact OE2-NH2 3.91Å; E618-R621 PolarHBondContact OE2-NH2 3.03Å; E618-R622 WeakPolarHBondContact O-CG 3.4Å; E618-R622 PolarHBondContact O-N 2.77Å; E618-R622 VanDerWaalsContact O-N 3.15Å; E618-R622 IonicContact OE1-CZ 3.82Å; E618-R622 IonicContact OE1-NE 2.98Å; E618-R622 PolarHBondContact OE1-NE 2.79Å; E618-R622 IonicContact OE1-NH2 3.36Å; E618-R622 PolarHBondContact OE1-NH2 3.26Å
619	L	92.3	Very high	89.5	Confident	92 Å²	92	92.7 Å²	92.7	48%	0.482	46%	0.455	S	S	.	.	H	α-helix	trans	-66.1	-40.3	175.8	-71.7	173	0	0	0	112	L615 R616 R622 V623	L615-L619 HydrophobicContact CD1-CD1 4.34Å; L615-L619 HydrophobicContact CD1-CG 4.34Å; L615-L619 HydrophobicContact CG-CD1 4.1Å; L615-L619 WeakPolarHBondContact O-CB 3.32Å; L615-L619 VanDerWaalsContact O-CG 3.28Å; L615-L619 WeakPolarHBondContact O-CG 3.24Å; L615-L619 PolarHBondContact O-N 3.2Å; R616-L619 PolarHBondContact O-N 3.04Å; L619-R622 PolarHBondContact O-N 3.38Å; L619-V623 WeakPolarHBondContact O-CG2 3.4Å; L619-V623 PolarHBondContact O-N 2.78Å
620	Q	91.1	Very high	87.8	Confident	92 Å²	92	97 Å²	97	43%	0.43	48%	0.484	S	S	.	.	H	α-helix	trans	-61.3	-46.6	176	-75.7	174.2	-43.8	0	0	111.4	R616 A617 R622 V623 E624	R616-Q620 WeakPolarHBondContact O-CG 3.33Å; R616-Q620 PolarHBondContact O-N 3.09Å; A617-Q620 PolarHBondContact O-N 3.09Å; Q620-R622 VanDerWaalsContact C-N 3.32Å; Q620-R622 PolarHBondContact O-N 3.19Å; Q620-V623 PolarHBondContact O-N 2.93Å; Q620-V623 VanDerWaalsContact O-N 3.12Å; Q620-E624 WeakPolarHBondContact O-CG 3.37Å; Q620-E624 PolarHBondContact O-N 2.99Å
621	R	92.8	Very high	86.2	Confident	106 Å²	106	100.1 Å²	100.1	40%	0.4	51%	0.51	S	S	.	.	H	α-helix	trans	-55.8	-44.9	175	-173.8	-174.9	67.5	87.2	2.8	112.1	A617 E618 V623 E624 E625	A617-R621 PolarHBondContact O-N 3.37Å; E618-R621 VanDerWaalsContact CD-NH2 3.26Å; E618-R621 IonicContact OE1-CZ 2.85Å; E618-R621 IonicContact OE1-NH2 3.85Å; E618-R621 PolarHBondContact OE1-NH2 3.21Å; E618-R621 IonicContact OE2-CZ 2.84Å; E618-R621 IonicContact OE2-NE 2.85Å; E618-R621 PolarHBondContact OE2-NE 3.28Å; E618-R621 IonicContact OE2-NH2 3.91Å; E618-R621 PolarHBondContact OE2-NH2 3.03Å; R621-V623 VanDerWaalsContact C-N 3.34Å; R621-V623 PolarHBondContact O-N 3.24Å; R621-E624 PolarHBondContact O-N 3.37Å; R621-E625 IonicContact CZ-OE1 3.56Å; R621-E625 VanDerWaalsContact NH1-CD 3.31Å; R621-E625 IonicContact NH1-OE1 2.78Å; R621-E625 PolarHBondContact NH1-OE1 3.43Å; R621-E625 IonicContact NH1-OE2 3.97Å; R621-E625 PolarHBondContact NH1-OE2 3.32Å; R621-E625 WeakPolarHBondContact O-CG 3.47Å; R621-E625 PolarHBondContact O-N 2.96Å
622	R	92.6	Very high	84.2	Confident	136 Å²	136	100.9 Å²	100.9	51%	0.513	52%	0.519	S	S	.	.	H	α-helix	trans	-64	-37.1	177.6	-71.4	-179.1	-170.8	-162.5	1.7	113	E618 L619 Q620 E625 L626	E618-R622 WeakPolarHBondContact O-CG 3.4Å; E618-R622 PolarHBondContact O-N 2.77Å; E618-R622 VanDerWaalsContact O-N 3.15Å; E618-R622 IonicContact OE1-CZ 3.82Å; E618-R622 IonicContact OE1-NE 2.98Å; E618-R622 PolarHBondContact OE1-NE 2.79Å; E618-R622 IonicContact OE1-NH2 3.36Å; E618-R622 PolarHBondContact OE1-NH2 3.26Å; L619-R622 PolarHBondContact O-N 3.38Å; Q620-R622 VanDerWaalsContact C-N 3.32Å; Q620-R622 PolarHBondContact O-N 3.19Å; R622-E625 PolarHBondContact O-N 3.18Å; R622-L626 VanDerWaalsContact O-CG 3.3Å; R622-L626 WeakPolarHBondContact O-CG 3.27Å; R622-L626 PolarHBondContact O-N 3.44Å
623	V	92.8	Very high	82.1	Confident	79 Å²	79	107.1 Å²	107.1	48%	0.479	55%	0.547	S	S	.	.	H	α-helix	trans	-65.6	-42.7	175.9	170.3	0	0	0	0	110.5	L619 Q620 R621 E625 L626 N627	L619-V623 WeakPolarHBondContact O-CG2 3.4Å; L619-V623 PolarHBondContact O-N 2.78Å; Q620-V623 PolarHBondContact O-N 2.93Å; Q620-V623 VanDerWaalsContact O-N 3.12Å; R621-V623 VanDerWaalsContact C-N 3.34Å; R621-V623 PolarHBondContact O-N 3.24Å; V623-E625 VanDerWaalsContact C-N 3.35Å; V623-E625 PolarHBondContact O-N 3.06Å; V623-L626 PolarHBondContact O-N 2.82Å; V623-N627 WeakPolarHBondContact O-CB 3.45Å; V623-N627 VanDerWaalsContact O-CG 3.28Å; V623-N627 PolarHBondContact O-N 2.93Å; V623-N627 PolarHBondContact O-ND2 3.41Å
624	E	92.5	Very high	79.9	Confident	127 Å²	127	113.8 Å²	113.8	59%	0.593	58%	0.577	S	S	*	*	H	α-helix	trans	-62.5	-40.6	175.5	-69.2	167.8	-169.4	0	0	112	Q620 R621 N627 T628	Q620-E624 WeakPolarHBondContact O-CG 3.37Å; Q620-E624 PolarHBondContact O-N 2.99Å; R621-E624 PolarHBondContact O-N 3.37Å; E624-N627 PolarHBondContact O-N 3.21Å; E624-T628 WeakPolarHBondContact O-CG2 3.45Å; E624-T628 PolarHBondContact O-N 3.22Å; E624-T628 VanDerWaalsContact O-N 3.13Å; E624-T628 PolarHBondContact O-OG1 2.77Å
625	E	92.2	Very high	77.7	Confident	84 Å²	84	111.8 Å²	111.8	39%	0.393	58%	0.58	S	S	.	*	H	α-helix	trans	-64	-41.7	174.5	-74.5	171.3	-179	0	0	112.3	R621 R622 V623 T628 H629	R621-E625 IonicContact CZ-OE1 3.56Å; R621-E625 VanDerWaalsContact NH1-CD 3.31Å; R621-E625 IonicContact NH1-OE1 2.78Å; R621-E625 PolarHBondContact NH1-OE1 3.43Å; R621-E625 IonicContact NH1-OE2 3.97Å; R621-E625 PolarHBondContact NH1-OE2 3.32Å; R621-E625 WeakPolarHBondContact O-CG 3.47Å; R621-E625 PolarHBondContact O-N 2.96Å; R622-E625 PolarHBondContact O-N 3.18Å; V623-E625 VanDerWaalsContact C-N 3.35Å; V623-E625 PolarHBondContact O-N 3.06Å; E625-T628 WeakPolarHBondContact CA-OG1 3.49Å; E625-T628 PolarHBondContact O-N 3.3Å; E625-T628 PolarHBondContact O-OG1 2.79Å; E625-H629 PolarHBondContact O-CD2 3.09Å
626	L	91.6	Very high	75.2	Confident	129 Å²	129	113.4 Å²	113.4	68%	0.675	60%	0.598	S	S	*	*	H	α-helix	trans	-67.3	-35.3	176.5	-72.9	169.8	0	0	0	112.5	R622 V623 T628	R622-L626 VanDerWaalsContact O-CG 3.3Å; R622-L626 WeakPolarHBondContact O-CG 3.27Å; R622-L626 PolarHBondContact O-N 3.44Å; V623-L626 PolarHBondContact O-N 2.82Å; L626-T628 VanDerWaalsContact C-N 3.34Å
627	N	83.7	Confident	73.1	Confident	131 Å²	131	113 Å²	113	70%	0.701	61%	0.609	S	S	*	*	H	α-helix	trans	-75.1	-20.8	178.8	-73.4	-25.2	0	0	0	113.5	V623 E624	V623-N627 WeakPolarHBondContact O-CB 3.45Å; V623-N627 VanDerWaalsContact O-CG 3.28Å; V623-N627 PolarHBondContact O-N 2.93Å; V623-N627 PolarHBondContact O-ND2 3.41Å; E624-N627 PolarHBondContact O-N 3.21Å
628	T	80	Confident	70.6	Confident	103 Å²	103	120.7 Å²	120.7	63%	0.632	63%	0.628	S	S	*	*	H	α-helix	trans	-89.3	-10.2	179.5	47.2	0	0	0	0	113.6	E624 E625 L626 P630	E624-T628 WeakPolarHBondContact O-CG2 3.45Å; E624-T628 PolarHBondContact O-N 3.22Å; E624-T628 VanDerWaalsContact O-N 3.13Å; E624-T628 PolarHBondContact O-OG1 2.77Å; E625-T628 WeakPolarHBondContact CA-OG1 3.49Å; E625-T628 PolarHBondContact O-N 3.3Å; E625-T628 PolarHBondContact O-OG1 2.79Å; L626-T628 VanDerWaalsContact C-N 3.34Å; T628-P630 WeakPolarHBondContact O-CD 3.4Å
629	H	65.3	Low	68.1	Low	142 Å²	142	125.6 Å²	125.6	66%	0.657	66%	0.661	S	S	*	*	S	Bend	trans	-91.7	107.2	168.9	-70.7	-53.9	0	0	0	110.3	E625 T631	E625-H629 PolarHBondContact O-CD2 3.09Å; H629-T631 PolarHBondContact O-N 2.71Å
630	P	54.7	Low	65.4	Low	114 Å²	114	124.6 Å²	124.6	74%	0.74	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-61.6	132.2	173.2	26	-31.9	0	0	0	108.8	T628	T628-P630 WeakPolarHBondContact O-CD 3.4Å
631	T	55.5	Low	62.7	Low	134 Å²	134	127 Å²	127	82%	0.822	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-51.3	127.3	167.4	18.7	0	0	0	0	108.3	H629 E633	H629-T631 PolarHBondContact O-N 2.71Å; T631-E633 PolarHBondContact O-N 2.72Å; T631-E633 VanDerWaalsContact O-N 3.17Å
632	P	49.6	Very low	60	Low	106 Å²	106	126.7 Å²	126.7	69%	0.688	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-60.9	124.4	172.6	-2.9	11.8	0	0	0	107.6	H634	P632-H634 PolarHBondContact O-N 3.11Å
633	E	48.5	Very low	57.2	Low	191 Å²	191	128.6 Å²	128.6	89%	0.893	73%	0.728	S	S	*	*			trans	-52.3	110.8	169	-73	-175.3	159.4	0	0	108.2	T631 P635	T631-E633 PolarHBondContact O-N 2.72Å; T631-E633 VanDerWaalsContact O-N 3.17Å; E633-P635 WeakPolarHBondContact O-CD 3.42Å
634	H	44.8	Very low	54.5	Low	175 Å²	175	133.1 Å²	133.1	81%	0.81	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-69.2	123.7	168.8	-83.8	-67.6	0	0	0	107.9	P632 S636	P632-H634 PolarHBondContact O-N 3.11Å; H634-S636 PolarHBondContact O-N 2.76Å
635	P	45.6	Very low	51.6	Low	116 Å²	116	132.2 Å²	132.2	75%	0.753	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-65.3	123.6	173.5	26.4	-31.7	0	0	0	108.6	E633 P637	E633-P635 WeakPolarHBondContact O-CD 3.42Å; P635-P637 VanDerWaalsContact O-CD 3.29Å; P635-P637 WeakPolarHBondContact O-CD 3.42Å
636	S	40.8	Very low	48.8	Very low	123 Å²	123	132.6 Å²	132.6	86%	0.86	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-54.7	122.2	173.6	-82	0	0	0	0	110.6	H634	H634-S636 PolarHBondContact O-N 2.76Å
637	P	46	Very low	46.1	Very low	95 Å²	95	136.7 Å²	136.7	62%	0.617	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-87.8	150.8	157.9	31.7	-20.8	0	0	0	108.8	P635	P635-P637 VanDerWaalsContact O-CD 3.29Å; P635-P637 WeakPolarHBondContact O-CD 3.42Å
638	Y	38.6	Very low	44.2	Very low	216 Å²	216	137 Å²	137	85%	0.847	80%	0.803	S	S	*	*			trans	94.5	71.7	171.7	-51.8	-74.2	0	0	0	117.5	G640	Y638-G640 PolarHBondContact O-N 3.41Å
639	T	39.3	Very low	42.3	Very low	147 Å²	147	138.8 Å²	138.8	90%	0.902	81%	0.812	S	S	*	*			trans	-74.8	99.9	135.1	37.8	0	0	0	0	108.3
640	G	36.6	Very low	41	Very low	71 Å²	71	138.6 Å²	138.6	73%	0.732	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-65.6	134.7	176.2	0	0	0	0	0	112.1	Y638	Y638-G640 PolarHBondContact O-N 3.41Å
641	T	34	Very low	40.2	Very low	143 Å²	143	140.1 Å²	140.1	88%	0.877	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-78.2	137.1	169.9	-16.4	0	0	0	0	109.6
642	S	35.5	Very low	39.3	Very low	99 Å²	99	140.4 Å²	140.4	69%	0.692	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-52	137.5	-178.5	163.2	0	0	0	0	114.9
643	L	33.7	Very low	38.6	Very low	176 Å²	176	142.7 Å²	142.7	92%	0.921	84%	0.835	S	S	*	*			trans	-130.1	119.2	158	-106.9	153.1	0	0	0	109.9
644	H	36	Very low	37.9	Very low	173 Å²	173	139.3 Å²	139.3	80%	0.801	83%	0.831	S	S	*	*			trans	-64.9	145.5	179.1	-97	-93.7	0	0	0	114.7
645	S	31.7	Very low	37.3	Very low	109 Å²	109	136.5 Å²	136.5	76%	0.762	83%	0.833	S	S	*	*			trans	-161	124.2	141.7	53.9	0	0	0	0	105.7
646	A	33.7	Very low	36.6	Very low	91 Å²	91	138.3 Å²	138.3	75%	0.752	84%	0.839	S	S	*	*				49.9	93.4	50.5	0	0	0	0	0	109.8
647	V	33.9	Very low	36.3	Very low	216 Å²	216	139.6 Å²	139.6	100%	1.309	84%	0.838	S	S	*	*				-151.3	0	57	164.7	0	0	0	0	110

Retrieved 647 of 647 residues in 328.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).