X5DQV1_HUMAN Loading...

Dihydropyrimidinase-related protein 1

Necessary for signaling by class 3 semaphorins and subsequent remodeling of the cytoskeleton. Plays a role in axon guidance. During the axon guidance process, acts downstream of SEMA3A to promote FLNA dissociation from F-actin which results in the rearrangement of the actin cytoskeleton and the collapse of the growth cone. Involved in invasive growth and cell migration. May participate in cytokinesis.

AlphaFold DB , UniProt , Accession X5DQV1, Species HUMAN (Homo sapiens, Human), Gene CRMP1, Length 655 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.4	Very low	30.9	Very low	244 Å²	244	177.9 Å²	177.9	100%	1.202	86%	0.861	S	S	*	*				0	140.9	0	-76	176.1	170.4	0	0	108.2
2	A	32.9	Very low	30.8	Very low	96 Å²	96	175.9 Å²	175.9	79%	0.793	86%	0.858	S	S	*	*			trans	40.1	98.5	169.7	0	0	0	0	0	117.9
3	D	34.1	Very low	30.9	Very low	150 Å²	150	174.9 Å²	174.9	80%	0.802	86%	0.859	S	S	*	*				58.8	114.2	84.9	-114.7	-25.4	0	0	0	116.7
4	R	32.7	Very low	31.1	Very low	241 Å²	241	173.7 Å²	173.7	91%	0.909	86%	0.857	S	S	*	*				-175.6	107.9	120.5	-100.4	168	-173	-168.1	2.9	112.3
5	R	32.8	Very low	31.1	Very low	237 Å²	237	170.9 Å²	170.9	89%	0.894	86%	0.857	S	S	*	*			trans	-77.9	146.9	156.4	-67.9	175.4	173.8	173.4	-3.3	109.6
6	R	30.4	Very low	31.2	Very low	220 Å²	220	166.4 Å²	166.4	83%	0.83	84%	0.841	S	S	*	*			trans	-141.7	113.3	153.6	-92.8	-171.6	172.5	-179	-4	109.6
7	A	29.6	Very low	30.8	Very low	94 Å²	94	171 Å²	171	78%	0.777	85%	0.848	S	S	*	*			trans	-88.5	156.5	160.1	0	0	0	0	0	109
8	W	27.2	Very low	30.8	Very low	208 Å²	208	169.9 Å²	169.9	79%	0.788	84%	0.844	S	S	*	*			trans	-135.8	115.3	165.9	-81.3	72.7	0	0	0	108.5
9	N	29.4	Very low	30.7	Very low	159 Å²	159	166.1 Å²	166.1	85%	0.85	84%	0.843	S	S	*	*			trans	-95.4	139.2	154.8	-82.1	3.9	0	0	0	107
10	T	30.1	Very low	31	Very low	127 Å²	127	169.9 Å²	169.9	78%	0.779	85%	0.846	S	S	*	*			trans	-161	130.9	142.3	18.2	0	0	0	0	108.5
11	E	27.9	Very low	31	Very low	181 Å²	181	168 Å²	168	85%	0.846	85%	0.846	S	S	*	*			trans	-77.9	-171.1	163.5	-66.8	170.6	116.3	0	0	109.8
12	D	29.7	Very low	30.8	Very low	154 Å²	154	160.3 Å²	160.3	82%	0.824	83%	0.829	S	S	*	*			trans	75.6	95	175.6	-57.8	-28.1	0	0	0	117.6
13	D	31.6	Very low	30.7	Very low	163 Å²	163	161.5 Å²	161.5	87%	0.872	83%	0.832	S	S	*	*				-171.8	108.1	111.8	-104.8	-23.5	0	0	0	111.6
14	L	33.4	Very low	30.5	Very low	158 Å²	158	159.2 Å²	159.2	83%	0.827	83%	0.833	S	S	*	*			trans	-135.1	130.1	167.2	-83	174.4	0	0	0	109.5
15	P	31.4	Very low	30.3	Very low	132 Å²	132	152.9 Å²	152.9	86%	0.857	83%	0.833	S	S	*	*			trans	-76.4	141.7	-174	29.6	-34.4	0	0	0	113
16	V	31.9	Very low	30.1	Very low	99 Å²	99	150.1 Å²	150.1	60%	0.6	83%	0.83	S	S	*	*			trans	-107.3	135.6	-171.5	173.9	0	0	0	0	111.5	L18	V16-L18 HydrophobicContact CG1-CB 4.43Å; V16-L18 HydrophobicContact CG1-CD1 3.63Å; V16-L18 HydrophobicContact CG1-CG 3.53Å
17	Y	25.8	Very low	29.9	Very low	244 Å²	244	145.9 Å²	145.9	96%	0.957	83%	0.829	S	S	*	*			trans	-133.2	119.6	148.6	-94.3	-85.5	0	0	0	109.5
18	L	29.8	Very low	30.3	Very low	151 Å²	151	146.5 Å²	146.5	79%	0.791	83%	0.825	S	S	*	*			trans	-104.3	152.3	-171.7	-80.7	156.2	0	0	0	112	V16	V16-L18 HydrophobicContact CG1-CB 4.43Å; V16-L18 HydrophobicContact CG1-CD1 3.63Å; V16-L18 HydrophobicContact CG1-CG 3.53Å
19	A	29.5	Very low	30.3	Very low	98 Å²	98	147.8 Å²	147.8	81%	0.81	83%	0.829	S	S	*	*				-174.9	138	113.1	0	0	0	0	0	113
20	R	35.7	Very low	30.2	Very low	242 Å²	242	149.3 Å²	149.3	91%	0.913	83%	0.831	S	S	*	*			trans	-92.1	155.6	163.9	-65.4	176.2	174.3	176.1	-2.9	110.1
21	P	32	Very low	30.1	Very low	130 Å²	130	152.5 Å²	152.5	84%	0.844	83%	0.834	S	S	*	*			trans	-99.8	142	156.9	0.5	20.1	0	0	0	112.5
22	G	29.8	Very low	30.3	Very low	82 Å²	82	155.4 Å²	155.4	85%	0.845	84%	0.84	S	S	*	*			trans	-99.5	-166.7	172.1	0	0	0	0	0	113.6
23	S	31	Very low	30.2	Very low	121 Å²	121	151.8 Å²	151.8	85%	0.846	84%	0.838	S	S	*	*			trans	-93.6	163.8	-164	49	0	0	0	0	116.9
24	A	28.8	Very low	30	Very low	102 Å²	102	147.7 Å²	147.7	84%	0.843	83%	0.834	S	S	*	*			trans	88.9	105.7	153.9	0	0	0	0	0	121
25	A	28.2	Very low	30	Very low	108 Å²	108	148.4 Å²	148.4	89%	0.893	84%	0.836	S	S	*	*			trans	-169.4	158.7	135.7	0	0	0	0	0	110.3
26	Q	29.1	Very low	30	Very low	180 Å²	180	152.2 Å²	152.2	84%	0.841	84%	0.839	S	S	*	*			trans	-110.1	137.9	-166	-57.9	171.6	-47.2	0	0	115.1
27	T	26.3	Very low	30	Very low	130 Å²	130	152.3 Å²	152.3	80%	0.798	85%	0.85	S	S	*	*			trans	61.8	163.5	143.4	45.7	0	0	0	0	121.9
28	P	38.4	Very low	30.3	Very low	107 Å²	107	145.4 Å²	145.4	70%	0.695	84%	0.844	S	S	*	*			cis	-135.6	178.3	-11.6	34.7	-15	0	0	0	117.2
29	R	25.6	Very low	30.3	Very low	235 Å²	235	144.8 Å²	144.8	89%	0.887	85%	0.846	S	S	*	*			trans	75.8	145.5	164.6	-67.3	174.1	174.4	171.3	-2.3	116.3
30	Q	27.8	Very low	30.3	Very low	191 Å²	191	149.4 Å²	149.4	89%	0.893	85%	0.851	S	S	*	*			cis	-146.1	159	16.4	-151.1	165.6	-5.5	0	0	112.3
31	K	29.3	Very low	30.6	Very low	194 Å²	194	141.1 Å²	141.1	84%	0.843	84%	0.841	S	S	*	*			trans	-96.6	146.8	-171.4	-75.5	-177	173.8	-177.9	0	115.3
32	Y	31.3	Very low	30.7	Very low	243 Å²	243	139.4 Å²	139.4	95%	0.953	84%	0.838	S	S	*	*			trans	-154.2	150.5	138.5	-85.5	-81.2	0	0	0	108.2
33	G	28	Very low	31.1	Very low	77 Å²	77	146.8 Å²	146.8	79%	0.794	84%	0.842	S	S	*	*			cis	179.2	43.9	-8.1	0	0	0	0	0	117.8
34	G	27.6	Very low	31.1	Very low	77 Å²	77	148 Å²	148	79%	0.794	83%	0.834	S	S	*	*			trans	111.7	154.7	178	0	0	0	0	0	114
35	M	32.1	Very low	31.6	Very low	174 Å²	174	151.2 Å²	151.2	86%	0.857	84%	0.837	S	S	*	*			cis	-150.9	173.1	9	-134.1	-175.9	-65.5	0	0	110.9
36	F	32.8	Very low	31.9	Very low	212 Å²	212	153.9 Å²	153.9	93%	0.93	83%	0.828	S	S	*	*			trans	92.7	110.3	-175.1	-59.8	-67.3	0	0	0	115.7
37	A	31.3	Very low	32.2	Very low	100 Å²	100	152 Å²	152	83%	0.826	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-97.7	138.7	179.2	0	0	0	0	0	110.9
38	A	31.3	Very low	32.6	Very low	100 Å²	100	152 Å²	152	83%	0.826	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-85.8	140.3	163	0	0	0	0	0	109.3
39	V	31	Very low	32.5	Very low	137 Å²	137	152.6 Å²	152.6	83%	0.83	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-91.9	117.2	175	177.5	0	0	0	0	108.7
40	E	28.9	Very low	33.2	Very low	195 Å²	195	149.8 Å²	149.8	91%	0.911	82%	0.815	S	S	*	*	S	Bend	trans	-67	137.5	167.8	-78.5	177.2	125.3	0	0	110.4
41	G	43.1	Very low	33.6	Very low	69 Å²	69	147.6 Å²	147.6	71%	0.711	81%	0.809	S	S	*	*			trans	133.8	-3.1	171.4	0	0	0	0	0	117.3	Y43	G41-Y43 PolarHBondContact O-N 2.77Å; G41-Y43 VanDerWaalsContact O-N 3.08Å
42	A	33.3	Very low	34	Very low	94 Å²	94	142.1 Å²	142.1	78%	0.777	80%	0.801	S	S	*	*			trans	-79.5	19.7	-173.1	0	0	0	0	0	116.3
43	Y	37.1	Very low	34.1	Very low	236 Å²	236	141.6 Å²	141.6	93%	0.925	80%	0.799	S	S	*	*			trans	-125.1	75.9	177.8	-74.5	-74.8	0	0	0	111.9	G41	G41-Y43 PolarHBondContact O-N 2.77Å; G41-Y43 VanDerWaalsContact O-N 3.08Å
44	E	32.3	Very low	34.4	Very low	146 Å²	146	142.8 Å²	142.8	68%	0.682	80%	0.795	S	S	*	*			trans	-125.9	116.2	158.2	-78.4	-162.6	167.6	0	0	110.2	K46	E44-K46 PolarHBondContact O-N 3.07Å; E44-K46 WeakPolarHBondContact OE2-CE 3.38Å; E44-K46 IonicContact OE2-NZ 2.77Å; E44-K46 PolarHBondContact OE2-NZ 3.37Å
45	N	38.8	Very low	34.7	Very low	170 Å²	170	146.6 Å²	146.6	91%	0.909	80%	0.802	S	S	*	*			trans	-65.3	120.8	169.1	-80.1	-24.7	0	0	0	110
46	K	34.2	Very low	34.7	Very low	164 Å²	164	141.7 Å²	141.7	71%	0.713	80%	0.796	S	S	*	*			trans	-129	104.5	162.8	-70.5	-179.4	-176.6	149.9	0	109.3	E44	E44-K46 PolarHBondContact O-N 3.07Å; E44-K46 WeakPolarHBondContact OE2-CE 3.38Å; E44-K46 IonicContact OE2-NZ 2.77Å; E44-K46 PolarHBondContact OE2-NZ 3.37Å
47	T	35.2	Very low	34.5	Very low	141 Å²	141	143.5 Å²	143.5	87%	0.865	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-55.8	131.9	173.4	-44.7	0	0	0	0	109.7
48	I	35.5	Very low	34.5	Very low	129 Å²	129	150.8 Å²	150.8	66%	0.662	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-82.8	119.1	175	-63.3	174.2	0	0	0	108.2	F50	I48-F50 HydrophobicContact CB-CE2 4.15Å; I48-F50 HydrophobicContact CG2-CD2 4Å; I48-F50 HydrophobicContact CG2-CE2 3.68Å; I48-F50 HydrophobicContact CG2-CZ 4.01Å
49	D	36.6	Very low	34.4	Very low	121 Å²	121	149.8 Å²	149.8	65%	0.647	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-83.4	124.9	170.3	-176.3	-8	0	0	0	109.2	D51	D49-D51 PolarHBondContact OD1-N 3.35Å; D49-D51 VanDerWaalsContact OD1-N 3.07Å
50	F	38.8	Very low	34.4	Very low	176 Å²	176	149.4 Å²	149.4	77%	0.772	81%	0.806	S	S	*	*	S	Bend	trans	-96.8	-4	-174.8	-85.8	-84.7	0	0	0	114.3	I48 A52	I48-F50 HydrophobicContact CB-CE2 4.15Å; I48-F50 HydrophobicContact CG2-CD2 4Å; I48-F50 HydrophobicContact CG2-CE2 3.68Å; I48-F50 HydrophobicContact CG2-CZ 4.01Å; F50-A52 VanDerWaalsContact C-N 3.28Å; F50-A52 PolarHBondContact O-N 3.35Å
51	D	37.8	Very low	34.4	Very low	144 Å²	144	144.1 Å²	144.1	77%	0.77	80%	0.795	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-4.6	-179	-81.9	-30	0	0	0	114.1	D49 Y53	D49-D51 PolarHBondContact OD1-N 3.35Å; D49-D51 VanDerWaalsContact OD1-N 3.07Å; D51-Y53 PolarHBondContact O-N 3.08Å
52	A	37.3	Very low	33.9	Very low	80 Å²	80	152.7 Å²	152.7	66%	0.661	81%	0.806	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	-2.1	-174.1	0	0	0	0	0	116.2	F50	F50-A52 VanDerWaalsContact C-N 3.28Å; F50-A52 PolarHBondContact O-N 3.35Å
53	Y	34	Very low	33.8	Very low	232 Å²	232	154.4 Å²	154.4	91%	0.91	81%	0.807	S	S	*	*			trans	-113.6	61.7	-179.1	-85.8	-81.4	0	0	0	113.6	D51	D51-Y53 PolarHBondContact O-N 3.08Å
54	S	33.3	Very low	33.9	Very low	102 Å²	102	149.1 Å²	149.1	71%	0.713	80%	0.802	S	S	*	*			trans	-124	81	176.8	52.2	0	0	0	0	113.6
55	V	33.5	Very low	33.7	Very low	156 Å²	156	153.5 Å²	153.5	95%	0.945	81%	0.812	S	S	*	*			trans	-141.5	122.5	169.3	-165.9	0	0	0	0	109.3
56	G	32.1	Very low	33.2	Very low	71 Å²	71	150.4 Å²	150.4	73%	0.732	80%	0.804	S	S	*	*			cis	-168	153	-8.7	0	0	0	0	0	111
57	R	30.2	Very low	33	Very low	250 Å²	250	147.6 Å²	147.6	94%	0.943	81%	0.812	S	S	*	*			trans	-77.8	133.9	176.9	-77.4	-179.8	170.5	-175.3	-2	111.9
58	R	31.1	Very low	32.7	Very low	253 Å²	253	144.6 Å²	144.6	96%	0.955	81%	0.809	S	S	*	*			trans	-140.8	129.8	142.7	-78.7	-166.1	177.6	-175.7	0.5	109.7
59	G	28.8	Very low	32.5	Very low	79 Å²	79	148.7 Å²	148.7	81%	0.814	82%	0.816	S	S	*	*			trans	-112.7	158.1	168.1	0	0	0	0	0	110.8
60	S	29.8	Very low	32.8	Very low	129 Å²	129	148.6 Å²	148.6	90%	0.902	82%	0.822	S	S	*	*			trans	-158.5	142.2	153.3	-171.8	0	0	0	0	109
61	A	30.4	Very low	32.3	Very low	84 Å²	84	145.8 Å²	145.8	69%	0.694	82%	0.815	S	S	*	*			trans	-89.6	157.7	-177.6	0	0	0	0	0	112.2
62	R	30.9	Very low	32	Very low	249 Å²	249	144 Å²	144	94%	0.94	82%	0.82	S	S	*	*				-173.7	141.9	122.3	-104.1	167.6	178.6	-178.2	-1	113.1
63	T	31.1	Very low	31.7	Very low	130 Å²	130	147.2 Å²	147.2	80%	0.798	83%	0.831	S	S	*	*			trans	-79	170	163.3	47.4	0	0	0	0	110.6
64	P	39.2	Very low	31.4	Very low	125 Å²	125	139.5 Å²	139.5	81%	0.812	82%	0.822	S	S	*	*				-142.9	161.7	100.9	38.1	-24.2	0	0	0	116.8
65	R	28.8	Very low	31.3	Very low	238 Å²	238	142.5 Å²	142.5	90%	0.898	83%	0.83	S	S	*	*			trans	-54.3	166.9	154.7	-81.9	172.7	168.5	170.7	-5.9	111.6
66	S	28.8	Very low	31.9	Very low	106 Å²	106	141 Å²	141	74%	0.741	82%	0.823	S	S	*	*			cis	-178.3	175.5	-0.9	43.3	0	0	0	0	109.8
67	A	30.3	Very low	31.8	Very low	105 Å²	105	141.1 Å²	141.1	87%	0.868	82%	0.824	S	S	*	*			trans	76.2	148.6	167.4	0	0	0	0	0	116.4
68	G	27.6	Very low	32.3	Very low	78 Å²	78	135.9 Å²	135.9	80%	0.804	82%	0.822	S	S	*	*			cis	-167.1	166	-1.7	0	0	0	0	0	113
69	R	31.4	Very low	32.2	Very low	214 Å²	214	127.8 Å²	127.8	81%	0.808	82%	0.817	S	S	*	*			trans	-68.5	167.6	173	-103.3	-169.7	-164.3	-161.5	8.2	111.6	D71	R69-D71 IonicContact NH1-OD1 3.83Å; R69-D71 IonicContact NH1-OD2 2.99Å
70	P	42.9	Very low	32.2	Very low	120 Å²	120	127.8 Å²	127.8	78%	0.779	82%	0.818	S	S	*	*			cis	-145.4	-175.5	44	41.9	-20.7	0	0	0	118.5
71	D	29.6	Very low	32.2	Very low	116 Å²	116	126.8 Å²	126.8	62%	0.62	81%	0.811	S	S	*	*			trans	-71.8	159.9	-172.4	-43.4	-92.5	0	0	0	114.7	R69	R69-D71 IonicContact NH1-OD1 3.83Å; R69-D71 IonicContact NH1-OD2 2.99Å
72	A	31	Very low	32.2	Very low	106 Å²	106	132.1 Å²	132.1	88%	0.876	82%	0.821	S	S	*	*			trans	-142.7	132.6	158.2	0	0	0	0	0	110.6
73	V	30.9	Very low	32.1	Very low	148 Å²	148	128.4 Å²	128.4	90%	0.897	82%	0.82	S	S	*	*			trans	-98.5	143.7	-174.8	177.1	0	0	0	0	110.1
74	G	28.4	Very low	32	Very low	71 Å²	71	128.9 Å²	128.9	73%	0.732	82%	0.823	S	S	*	*			trans	-162.1	111.3	174	0	0	0	0	0	114.4
75	L	31.4	Very low	31.6	Very low	165 Å²	165	127.2 Å²	127.2	86%	0.864	82%	0.82	S	S	*	*			trans	-138.9	165	166.6	-76.4	172.2	0	0	0	107
76	P	45.7	Very low	31.7	Very low	125 Å²	125	121.3 Å²	121.3	81%	0.812	82%	0.815	S	S	*	*				-125.8	177.2	-55.9	35.8	-20.2	0	0	0	110.9
77	G	28.8	Very low	31.8	Very low	72 Å²	72	124.3 Å²	124.3	74%	0.742	82%	0.823	S	S	*	*			trans	-141.1	140	175.1	0	0	0	0	0	112.1
78	P	41.2	Very low	31.9	Very low	141 Å²	141	126.5 Å²	126.5	92%	0.916	82%	0.819	S	S	*	*			trans	-102.9	157.8	-165.9	38.9	-35.5	0	0	0	115.4
79	G	29.7	Very low	32.2	Very low	82 Å²	82	129.1 Å²	129.1	85%	0.845	82%	0.822	S	S	*	*			trans	147	130.4	169.3	0	0	0	0	0	110.6
80	G	28	Very low	32.3	Very low	80 Å²	80	127 Å²	127	83%	0.825	83%	0.825	S	S	*	*			cis	127.2	76.4	0.9	0	0	0	0	0	111.9
81	S	30	Very low	31.7	Very low	108 Å²	108	124.5 Å²	124.5	76%	0.755	82%	0.822	S	S	*	*			trans	-161.7	109.6	170	56.3	0	0	0	0	112.6
82	E	30.7	Very low	31.9	Very low	196 Å²	196	130.6 Å²	130.6	92%	0.916	84%	0.836	S	S	*	*			trans	52.7	96.8	137.9	-58.2	-178.7	155.7	0	0	120.2
83	D	28.5	Very low	32.2	Very low	170 Å²	170	132.4 Å²	132.4	91%	0.909	83%	0.831	S	S	*	*			trans	-90.8	134.7	156.2	-81.6	-49	0	0	0	111.1
84	T	29.8	Very low	32.3	Very low	140 Å²	140	132.1 Å²	132.1	86%	0.859	83%	0.825	S	S	*	*			trans	-142.3	148.1	157.4	50.7	0	0	0	0	111.4
85	A	30.2	Very low	32.6	Very low	91 Å²	91	132.6 Å²	132.6	75%	0.752	83%	0.829	S	S	*	*	S	Bend	trans	93.3	113.4	166.5	0	0	0	0	0	120.2
86	S	30.9	Very low	33.4	Very low	114 Å²	114	133.2 Å²	133.2	80%	0.797	83%	0.828	S	S	*	*			trans	66	99.3	145.4	53.4	0	0	0	0	120.7
87	D	31.3	Very low	33.9	Very low	169 Å²	169	130 Å²	130	90%	0.904	81%	0.809	S	S	*	*			trans	-63.8	128.5	156.7	-74.9	-60	0	0	0	112.5
88	L	31.5	Very low	36.2	Very low	151 Å²	151	130 Å²	130	79%	0.791	79%	0.792	S	S	*	*			trans	-126.7	141	150.4	-74.7	172.9	0	0	0	107.3	L90	L88-L90 PolarHBondContact O-N 3.32Å
89	P	34.5	Very low	38.8	Very low	133 Å²	133	125.8 Å²	125.8	86%	0.864	76%	0.757	S	S	*	*			trans	-75	91.8	-167.7	29.7	-35.1	0	0	0	111.8	G91	P89-G91 PolarHBondContact O-N 2.81Å
90	L	33.2	Very low	42	Very low	168 Å²	168	122.4 Å²	122.4	88%	0.88	72%	0.72	S	S	*	*			trans	-60.8	114.3	161.9	-78.9	164.5	0	0	0	108.8	L88 R92	L88-L90 PolarHBondContact O-N 3.32Å; L90-R92 PolarHBondContact O-N 3.17Å
91	G	31.4	Very low	45.3	Very low	68 Å²	68	119.1 Å²	119.1	70%	0.701	68%	0.683	S	S	*	*			trans	-56	133.2	165.5	0	0	0	0	0	109.3	P89 D93	P89-G91 PolarHBondContact O-N 2.81Å; G91-D93 VanDerWaalsContact C-N 3.31Å; G91-D93 PolarHBondContact O-N 3.22Å
92	R	32.9	Very low	48.6	Very low	245 Å²	245	114 Å²	114	93%	0.925	65%	0.647	S	S	*	*			trans	-67.3	90.6	175.2	-76.9	-179.3	172.3	172.7	-3.2	109.8	L90 N94	L90-R92 PolarHBondContact O-N 3.17Å; R92-N94 PolarHBondContact O-N 2.94Å
93	D	37.7	Very low	51.7	Low	144 Å²	144	108.6 Å²	108.6	77%	0.77	62%	0.621	S	S	*	*			trans	-77.1	113.8	162.6	-156.3	8.5	0	0	0	108	G91 G95	G91-D93 VanDerWaalsContact C-N 3.31Å; G91-D93 PolarHBondContact O-N 3.22Å; D93-G95 PolarHBondContact O-N 2.87Å
94	N	33.2	Very low	54.9	Low	142 Å²	142	102.2 Å²	102.2	76%	0.759	60%	0.595	S	S	*	*			trans	-74.4	99.7	176.8	-91.9	-17.9	0	0	0	107.4	R92 Q96	R92-N94 PolarHBondContact O-N 2.94Å; N94-Q96 PolarHBondContact O-N 3.02Å
95	G	35	Very low	58	Low	81 Å²	81	95.5 Å²	95.5	84%	0.835	55%	0.554	S	S	*	*			trans	-63.5	66.5	-173	0	0	0	0	0	116.4	D93	D93-G95 PolarHBondContact O-N 2.87Å
96	Q	46.8	Very low	61.3	Low	178 Å²	178	93.6 Å²	93.6	83%	0.832	53%	0.527	S	S	*	.			trans	-83.7	114.9	147.8	-83.7	-178.7	-32.8	0	0	107.1	N94 D98	N94-Q96 PolarHBondContact O-N 3.02Å; Q96-D98 PolarHBondContact O-N 2.95Å
97	S	56.2	Low	64.5	Low	58 Å²	58	88.3 Å²	88.3	41%	0.406	49%	0.49	S	S	.	.			trans	-61.8	132.4	169.3	49.7	0	0	0	0	109.6	R99	S97-R99 PolarHBondContact O-N 2.93Å; S97-R99 VanDerWaalsContact OG-CD 3.29Å; S97-R99 WeakPolarHBondContact OG-CD 3.45Å; S97-R99 WeakPolarHBondContact OG-CG 3.3Å; S97-R99 PolarHBondContact OG-NE 2.96Å
98	D	78.6	Confident	67.7	Low	72 Å²	72	80.2 Å²	80.2	39%	0.385	45%	0.447	S	S	.	.			trans	-67.8	82.3	177.4	-64.8	-72.8	0	0	0	110.3	Q96 K534	Q96-D98 PolarHBondContact O-N 2.95Å; D98-K534 HydrophobicContact CB-CG 4.18Å; D98-K534 WeakPolarHBondContact OD2-CE 3.28Å; D98-K534 IonicContact OD2-NZ 2.98Å
99	R	94.9	Very high	70.9	Confident	52 Å²	52	73.4 Å²	73.4	20%	0.196	41%	0.411	C	S	.	.			trans	-104.9	118.6	178.4	-60.9	177	-59.1	161.5	14.7	109	S97 Y119 L120 E121 G136 G137 V138 K139	S97-R99 PolarHBondContact O-N 2.93Å; S97-R99 VanDerWaalsContact OG-CD 3.29Å; S97-R99 WeakPolarHBondContact OG-CD 3.45Å; S97-R99 WeakPolarHBondContact OG-CG 3.3Å; S97-R99 PolarHBondContact OG-NE 2.96Å; R99-Y119 HydrophobicContact CB-CE2 4.28Å; R99-Y119 WeakPolarHBondContact CD-OH 3.38Å; R99-L120 VanDerWaalsContact CA-O 3.29Å; R99-L120 WeakPolarHBondContact CA-O 3.43Å; R99-E121 WeakPolarHBondContact CD-OE1 3.4Å; R99-E121 HydrophobicContact CG-CB 3.98Å; R99-E121 HydrophobicContact CG-CG 3.86Å; R99-G136 PolarHBondContact NH2-O 2.68Å; R99-G137 PolarHBondContact NH2-O 2.66Å; R99-V138 HydrophobicContact CB-CB 4.45Å; R99-V138 HydrophobicContact CB-CG1 4.3Å; R99-V138 HydrophobicContact CB-CG2 3.87Å; R99-V138 WeakPolarHBondContact O-CG1 3.36Å; R99-K139 PolarHBondContact O-N 3.47Å; R99-K139 VanDerWaalsContact O-N 3.1Å
100	L	97.3	Very high	74	Confident	11 Å²	11	68.8 Å²	68.8	6%	0.058	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	144.7	-178.7	-53.8	177	0	0	0	110.3	Y119 L120 K139 I141 I530 G533 I535	L100-Y119 WeakPolarHBondContact O-CD2 3.26Å; L100-L120 HydrophobicContact CB-CB 4.16Å; L100-L120 HydrophobicContact CB-CD1 4.17Å; L100-L120 HydrophobicContact CB-CG 4.42Å; L100-L120 HydrophobicContact CD1-CD1 4.19Å; L100-L120 PolarHBondContact N-O 3.05Å; L100-L120 PolarHBondContact O-N 3.43Å; L100-K139 WeakPolarHBondContact CA-O 3.41Å; L100-K139 HydrophobicContact CD2-CB 3.86Å; L100-K139 HydrophobicContact CD2-CD 4.39Å; L100-K139 HydrophobicContact CD2-CG 4.46Å; L100-I141 HydrophobicContact CD1-CD1 4.22Å; L100-I530 HydrophobicContact CD1-CD1 4.04Å; L100-I530 HydrophobicContact CD1-CG1 4.42Å; L100-I530 HydrophobicContact CD1-CG2 3.91Å; L100-G533 WeakPolarHBondContact CD1-O 3.43Å; L100-I535 HydrophobicContact CD1-CD1 4.3Å; L100-I535 HydrophobicContact CD1-CG1 3.72Å; L100-I535 HydrophobicContact CD2-CD1 4.03Å; L100-I535 HydrophobicContact CD2-CG1 4.28Å
101	L	97.8	Very high	77	Confident	10 Å²	10	65.1 Å²	65.1	5%	0.052	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	111.4	167.5	175.5	62.5	0	0	0	108.5	D117 L132 V134 V138 K139 T140 I141	L101-D117 HydrophobicContact CD1-CB 3.99Å; L101-L132 HydrophobicContact CD1-CB 4.3Å; L101-L132 HydrophobicContact CD1-CD1 4.36Å; L101-V134 HydrophobicContact CB-CG2 4.48Å; L101-V134 HydrophobicContact CD1-CG1 4.01Å; L101-V134 HydrophobicContact CD2-CG1 4.22Å; L101-V134 HydrophobicContact CD2-CG2 3.87Å; L101-V138 HydrophobicContact CB-CG1 3.87Å; L101-K139 PolarHBondContact N-O 3.28Å; L101-T140 HydrophobicContact CD2-CG2 4.48Å; L101-T140 CarbonylContact O-C 3.54Å; L101-T140 WeakPolarHBondContact O-CA 3.48Å; L101-I141 PolarHBondContact O-N 2.96Å
102	I	98.1	Very high	80.2	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	120.1	167.3	-52.1	174.8	0	0	0	106.8	D117 V118 L120 I141 A143 V148 V492 I494 I530	I102-D117 CarbonylContact O-C 3.38Å; I102-D117 VanDerWaalsContact O-CA 3.23Å; I102-D117 WeakPolarHBondContact O-CA 3.26Å; I102-D117 WeakPolarHBondContact O-CB 3.5Å; I102-V118 HydrophobicContact CB-CB 4.25Å; I102-V118 HydrophobicContact CD1-CB 4.43Å; I102-V118 PolarHBondContact N-O 3.38Å; I102-V118 PolarHBondContact O-N 2.8Å; I102-L120 HydrophobicContact CD1-CD1 4.21Å; I102-L120 HydrophobicContact CG1-CD1 4.49Å; I102-I141 WeakPolarHBondContact CA-O 3.45Å; I102-I141 HydrophobicContact CG1-CD1 4.47Å; I102-A143 HydrophobicContact CG2-CB 3.89Å; I102-V148 HydrophobicContact CD1-CG1 4.11Å; I102-V148 HydrophobicContact CG2-CG2 3.87Å; I102-V492 HydrophobicContact CD1-CB 4.33Å; I102-V492 HydrophobicContact CD1-CG1 3.69Å; I102-I494 HydrophobicContact CG2-CD1 3.89Å; I102-I494 HydrophobicContact CG2-CG1 4.39Å; I102-I530 HydrophobicContact CD1-CD1 3.78Å; I102-I530 HydrophobicContact CG1-CD1 4.15Å
103	K	97.3	Very high	83.3	Confident	84 Å²	84	57.1 Å²	57.1	37%	0.365	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	140.5	-172.3	-164.8	-177.5	179.9	-174.8	0	112.7	G105 D117 T140 I141 A143	K103-G105 PolarHBondContact O-N 3.49Å; K103-D117 WeakPolarHBondContact CA-OD1 3.07Å; K103-D117 VanDerWaalsContact CG-OD1 3.29Å; K103-D117 WeakPolarHBondContact CG-OD1 3.4Å; K103-T140 HydrophobicContact CB-CG2 3.94Å; K103-T140 HydrophobicContact CD-CG2 4.37Å; K103-I141 PolarHBondContact N-O 2.59Å; K103-A143 WeakPolarHBondContact O-CB 3.39Å; K103-A143 PolarHBondContact O-N 2.66Å
104	G	94.1	Very high	86.1	Confident	35 Å²	35	53.2 Å²	53.2	36%	0.361	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	64.2	27.3	174.9	0	0	0	0	0	113.7	D117 G145	G104-D117 PolarHBondContact N-OD1 2.81Å; G104-G145 VanDerWaalsContact O-CA 3.28Å; G104-G145 WeakPolarHBondContact O-CA 3.42Å; G104-G145 PolarHBondContact O-N 2.73Å
105	G	95.8	Very high	89.2	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	160.9	179.8	0	0	0	0	0	113	K103 Y115 A116	K103-G105 PolarHBondContact O-N 3.49Å; G105-Y115 WeakPolarHBondContact O-CA 3.42Å; G105-A116 PolarHBondContact O-N 3.14Å; G105-A116 VanDerWaalsContact O-N 3.14Å
106	R	98.3	Very high	92.2	Very high	50 Å²	50	50 Å²	50	19%	0.189	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	99.7	169.4	-164.9	171.6	63.7	96.3	3.8	108.8	I108 L114 Y115 R146 M147 V148 E460	R106-I108 HydrophobicContact CB-CD1 4.45Å; R106-I108 HydrophobicContact CG-CD1 3.97Å; R106-I108 WeakPolarHBondContact O-CD1 3.43Å; R106-I108 WeakPolarHBondContact O-CG1 3.4Å; R106-I108 PolarHBondContact O-N 2.92Å; R106-L114 CarbonylContact C-O 3.55Å; R106-L114 WeakPolarHBondContact CA-O 3.48Å; R106-Y115 HydrophobicContact CB-CD1 3.94Å; R106-Y115 HydrophobicContact CB-CE1 3.76Å; R106-Y115 HydrophobicContact CG-CD1 4.19Å; R106-Y115 HydrophobicContact CG-CD2 4.39Å; R106-Y115 HydrophobicContact CG-CE1 4Å; R106-Y115 HydrophobicContact CG-CE2 4.2Å; R106-Y115 HydrophobicContact CG-CG 4.39Å; R106-R146 PolarHBondContact N-O 2.92Å; R106-M147 CarbonylContact O-C 3.45Å; R106-M147 WeakPolarHBondContact O-CA 3.4Å; R106-V148 PolarHBondContact O-N 2.74Å; R106-E460 IonicContact CZ-OE1 3.64Å; R106-E460 IonicContact CZ-OE2 3.53Å; R106-E460 VanDerWaalsContact CZ-OE2 3.25Å; R106-E460 IonicContact NH1-OE1 2.73Å; R106-E460 PolarHBondContact NH1-OE1 3.19Å; R106-E460 IonicContact NH1-OE2 2.71Å; R106-E460 PolarHBondContact NH1-OE2 3.12Å; R106-E460 IonicContact NH2-OE1 3.21Å; R106-E460 IonicContact NH2-OE2 3.49Å; R106-E460 PolarHBondContact NH2-OE2 3Å
107	I	98.7	Very high	94.6	Very high	3 Å²	3	42 Å²	42	2%	0.015	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	127.9	179.4	-59.1	176.9	0	0	0	109.2	S113 L114 A116 V118 I128 V148 I484	I107-S113 CarbonylContact O-C 3.42Å; I107-S113 VanDerWaalsContact O-CA 3.26Å; I107-S113 WeakPolarHBondContact O-CA 3.29Å; I107-L114 HydrophobicContact CB-CD1 4.34Å; I107-L114 HydrophobicContact CB-CG 4.39Å; I107-L114 HydrophobicContact CD1-CD1 4.16Å; I107-L114 PolarHBondContact N-O 2.9Å; I107-L114 PolarHBondContact O-N 3.48Å; I107-A116 HydrophobicContact CD1-CB 3.83Å; I107-V118 HydrophobicContact CD1-CG2 3.43Å; I107-V118 VanDerWaalsContact CD1-CG2 3.43Å; I107-V118 HydrophobicContact CG1-CG2 3.9Å; I107-I128 HydrophobicContact CD1-CD1 4.48Å; I107-I128 HydrophobicContact CD1-CG1 4.49Å; I107-I128 HydrophobicContact CD1-CG2 3.47Å; I107-I128 VanDerWaalsContact CD1-CG2 3.47Å; I107-V148 WeakPolarHBondContact CA-O 3.39Å; I107-V148 HydrophobicContact CG1-CB 4.32Å; I107-I484 HydrophobicContact CD1-CG2 4.08Å; I107-I484 HydrophobicContact CG1-CG2 4.33Å; I107-I484 HydrophobicContact CG2-CB 3.62Å; I107-I484 HydrophobicContact CG2-CG1 4.18Å; I107-I484 HydrophobicContact CG2-CG2 3.58Å
108	I	98.8	Very high	96.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	118.1	178.2	-38.8	-63.3	0	0	0	107.9	R106 S113 M147 V148 I149 P150 E460 N461 V464	R106-I108 HydrophobicContact CB-CD1 4.45Å; R106-I108 HydrophobicContact CG-CD1 3.97Å; R106-I108 WeakPolarHBondContact O-CD1 3.43Å; R106-I108 WeakPolarHBondContact O-CG1 3.4Å; R106-I108 PolarHBondContact O-N 2.92Å; I108-S113 WeakPolarHBondContact CD1-OG 3.34Å; I108-M147 HydrophobicContact CD1-CE 4.28Å; I108-M147 HydrophobicContact CD1-CG 4.32Å; I108-M147 HydrophobicContact CG1-CB 4.02Å; I108-M147 HydrophobicContact CG1-CE 3.72Å; I108-M147 HydrophobicContact CG1-CG 4.14Å; I108-V148 PolarHBondContact N-O 2.86Å; I108-I149 HydrophobicContact CB-CG2 3.9Å; I108-I149 HydrophobicContact CG1-CG2 3.89Å; I108-P150 WeakPolarHBondContact O-CD 3.37Å; I108-E460 HydrophobicContact CG2-CB 3.99Å; I108-E460 HydrophobicContact CG2-CG 3.84Å; I108-N461 WeakPolarHBondContact CG2-ND2 3.46Å; I108-V464 HydrophobicContact CB-CG2 4.26Å; I108-V464 HydrophobicContact CG2-CG2 3.97Å
109	N	98.8	Very high	97.6	Very high	7 Å²	7	35.9 Å²	35.9	4%	0.037	18%	0.179	C	C	.	.			trans	-112.2	178.8	169	-78	-52.4	0	0	0	109.9	D111 Q112 N461 R483 I484	N109-D111 VanDerWaalsContact CB-OD1 3.23Å; N109-D111 WeakPolarHBondContact CB-OD1 3.23Å; N109-D111 PolarHBondContact O-N 3.26Å; N109-Q112 PolarHBondContact N-O 3.24Å; N109-N461 WeakPolarHBondContact O-CA 3.38Å; N109-N461 WeakPolarHBondContact O-CB 3.46Å; N109-N461 PolarHBondContact O-ND2 3.3Å; N109-R483 WeakPolarHBondContact OD1-CA 3.48Å; N109-R483 VanDerWaalsContact OD1-CG 3.25Å; N109-R483 WeakPolarHBondContact OD1-CG 3.5Å; N109-I484 PolarHBondContact ND2-O 3.48Å; N109-I484 PolarHBondContact OD1-N 3.24Å
110	D	98.5	Very high	97.7	Very high	36 Å²	36	33.4 Å²	33.4	19%	0.193	17%	0.169	C	C	.	.	S	Bend	trans	-67.6	-14.5	178	64.2	-54.5	0	0	0	114.6	A465 T469 K473 R483	D110-A465 HydrophobicContact CB-CB 3.93Å; D110-T469 HydrophobicContact CB-CG2 4.1Å; D110-K473 IonicContact OD2-NZ 2.87Å; D110-K473 PolarHBondContact OD2-NZ 3.42Å; D110-R483 IonicContact OD1-NH1 3.09Å; D110-R483 PolarHBondContact OD1-NH1 2.67Å
111	D	98	Very high	97.7	Very high	91 Å²	91	35 Å²	35	49%	0.487	18%	0.176	S	C	.	.	S	Bend	trans	-114.6	-28.6	-174.1	60.3	-31.6	0	0	0	114.8	N109 R483	N109-D111 VanDerWaalsContact CB-OD1 3.23Å; N109-D111 WeakPolarHBondContact CB-OD1 3.23Å; N109-D111 PolarHBondContact O-N 3.26Å; D111-R483 VanDerWaalsContact CG-NH1 3.32Å; D111-R483 IonicContact OD1-CZ 2.86Å; D111-R483 VanDerWaalsContact OD1-CZ 3.29Å; D111-R483 IonicContact OD1-NH1 2.71Å; D111-R483 PolarHBondContact OD1-NH1 3.36Å; D111-R483 IonicContact OD1-NH2 2.68Å; D111-R483 PolarHBondContact OD1-NH2 3.32Å; D111-R483 IonicContact OD2-CZ 3.89Å; D111-R483 IonicContact OD2-NH1 3.47Å; D111-R483 PolarHBondContact OD2-NH1 2.88Å; D111-R483 IonicContact OD2-NH2 3.74Å; D111-R483 PolarHBondContact OD2-NH2 3.24Å
112	Q	97.1	Very high	97.5	Very high	105 Å²	105	39.6 Å²	39.6	49%	0.491	20%	0.201	S	C	.	.			trans	-161.7	162.8	179.8	62.1	177.5	1.7	0	0	113.4	N109 N461	N109-Q112 PolarHBondContact N-O 3.24Å; Q112-N461 PolarHBondContact O-ND2 3.23Å
113	S	98.1	Very high	97.4	Very high	41 Å²	41	40 Å²	40	29%	0.287	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	133.9	173.4	-59.2	0	0	0	0	110.9	I107 I108 E460 N461	I107-S113 CarbonylContact O-C 3.42Å; I107-S113 VanDerWaalsContact O-CA 3.26Å; I107-S113 WeakPolarHBondContact O-CA 3.29Å; I108-S113 WeakPolarHBondContact CD1-OG 3.34Å; S113-E460 VanDerWaalsContact CB-OE1 3.3Å; S113-E460 WeakPolarHBondContact CB-OE1 3.46Å; S113-E460 PolarHBondContact OG-OE1 3.21Å; S113-N461 PolarHBondContact OG-ND2 2.96Å; S113-N461 PolarHBondContact OG-OD1 2.82Å
114	L	97.3	Very high	97.4	Very high	61 Å²	61	38.8 Å²	38.8	32%	0.319	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	152	-179.1	66.2	91.4	0	0	0	112.6	R106 I107 A116	R106-L114 CarbonylContact C-O 3.55Å; R106-L114 WeakPolarHBondContact CA-O 3.48Å; I107-L114 HydrophobicContact CB-CD1 4.34Å; I107-L114 HydrophobicContact CB-CG 4.39Å; I107-L114 HydrophobicContact CD1-CD1 4.16Å; I107-L114 PolarHBondContact N-O 2.9Å; I107-L114 PolarHBondContact O-N 3.48Å; L114-A116 HydrophobicContact CD1-CB 3.53Å
115	Y	98.2	Very high	97.7	Very high	149 Å²	149	37.1 Å²	37.1	58%	0.584	19%	0.185	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86.1	124.7	171.9	-72.8	-84.3	0	0	0	110.4	G105 R106	G105-Y115 WeakPolarHBondContact O-CA 3.42Å; R106-Y115 HydrophobicContact CB-CD1 3.94Å; R106-Y115 HydrophobicContact CB-CE1 3.76Å; R106-Y115 HydrophobicContact CG-CD1 4.19Å; R106-Y115 HydrophobicContact CG-CD2 4.39Å; R106-Y115 HydrophobicContact CG-CE1 4Å; R106-Y115 HydrophobicContact CG-CE2 4.2Å; R106-Y115 HydrophobicContact CG-CG 4.39Å
116	A	97.8	Very high	97.7	Very high	7 Å²	7	40.3 Å²	40.3	6%	0.058	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	158.7	174.1	0	0	0	0	0	110.8	G105 I107 L114 I128	G105-A116 PolarHBondContact O-N 3.14Å; G105-A116 VanDerWaalsContact O-N 3.14Å; I107-A116 HydrophobicContact CD1-CB 3.83Å; L114-A116 HydrophobicContact CD1-CB 3.53Å; A116-I128 HydrophobicContact CB-CG2 3.77Å
117	D	98.1	Very high	97.7	Very high	9 Å²	9	42.3 Å²	42.3	5%	0.048	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	152.2	166.1	-52.1	-35.4	0	0	0	109.7	L101 I102 K103 G104 I128 G129 N131 L132	L101-D117 HydrophobicContact CD1-CB 3.99Å; I102-D117 CarbonylContact O-C 3.38Å; I102-D117 VanDerWaalsContact O-CA 3.23Å; I102-D117 WeakPolarHBondContact O-CA 3.26Å; I102-D117 WeakPolarHBondContact O-CB 3.5Å; K103-D117 WeakPolarHBondContact CA-OD1 3.07Å; K103-D117 VanDerWaalsContact CG-OD1 3.29Å; K103-D117 WeakPolarHBondContact CG-OD1 3.4Å; G104-D117 PolarHBondContact N-OD1 2.81Å; D117-I128 WeakPolarHBondContact O-CA 3.32Å; D117-G129 WeakPolarHBondContact CB-O 3.38Å; D117-G129 PolarHBondContact N-O 2.9Å; D117-G129 PolarHBondContact O-N 2.9Å; D117-G129 VanDerWaalsContact O-N 3.15Å; D117-N131 VanDerWaalsContact OD2-CA 3.23Å; D117-N131 WeakPolarHBondContact OD2-CA 3.42Å; D117-N131 PolarHBondContact OD2-N 3.05Å; D117-L132 HydrophobicContact CB-CB 4.21Å; D117-L132 HydrophobicContact CB-CD1 3.92Å; D117-L132 HydrophobicContact CB-CG 3.96Å; D117-L132 WeakPolarHBondContact O-CD1 3.15Å; D117-L132 PolarHBondContact OD2-N 3.02Å
118	V	98.4	Very high	97.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	118.8	178.1	-171.9	0	0	0	0	109.5	I102 I107 L120 I125 I128 V148 I484	I102-V118 HydrophobicContact CB-CB 4.25Å; I102-V118 HydrophobicContact CD1-CB 4.43Å; I102-V118 PolarHBondContact N-O 3.38Å; I102-V118 PolarHBondContact O-N 2.8Å; I107-V118 HydrophobicContact CD1-CG2 3.43Å; I107-V118 VanDerWaalsContact CD1-CG2 3.43Å; I107-V118 HydrophobicContact CG1-CG2 3.9Å; V118-L120 HydrophobicContact CG1-CD2 3.68Å; V118-I125 HydrophobicContact CG1-CG1 4.3Å; V118-I125 HydrophobicContact CG1-CG2 3.82Å; V118-I128 HydrophobicContact CG1-CG1 4.33Å; V118-I128 HydrophobicContact CG2-CG1 4.48Å; V118-V148 HydrophobicContact CG2-CG1 4.33Å; V118-I484 HydrophobicContact CG2-CG2 4.19Å
119	Y	98.3	Very high	97.6	Very high	3 Å²	3	45.7 Å²	45.7	1%	0.012	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	124.1	175.1	177	-120.5	0	0	0	110.9	R99 L100 E121 K126 Q127 V134 V138	R99-Y119 HydrophobicContact CB-CE2 4.28Å; R99-Y119 WeakPolarHBondContact CD-OH 3.38Å; L100-Y119 WeakPolarHBondContact O-CD2 3.26Å; Y119-E121 HydrophobicContact CE1-CB 4.04Å; Y119-E121 WeakPolarHBondContact CE1-OE2 3.49Å; Y119-E121 PolarHBondContact OH-OE1 3.29Å; Y119-E121 PolarHBondContact OH-OE2 3.14Å; Y119-K126 HydrophobicContact CD1-CB 3.81Å; Y119-K126 HydrophobicContact CD1-CG 4.36Å; Y119-K126 HydrophobicContact CE1-CB 4.15Å; Y119-K126 HydrophobicContact CE1-CG 4.27Å; Y119-K126 PolarHBondContact O-N 2.86Å; Y119-Q127 HydrophobicContact CD1-CG 4.36Å; Y119-Q127 PolarHBondContact N-O 2.85Å; Y119-Q127 PolarHBondContact O-N 2.99Å; Y119-V134 HydrophobicContact CD1-CG1 4.46Å; Y119-V134 HydrophobicContact CD2-CB 4.02Å; Y119-V134 HydrophobicContact CD2-CG1 3.49Å; Y119-V134 VanDerWaalsContact CD2-CG1 3.49Å; Y119-V134 HydrophobicContact CE2-CB 4.09Å; Y119-V134 HydrophobicContact CE2-CG1 4.07Å; Y119-V134 HydrophobicContact CG-CG1 3.72Å; Y119-V138 HydrophobicContact CD2-CG1 4.37Å; Y119-V138 HydrophobicContact CE2-CG1 4.08Å; Y119-V138 HydrophobicContact CE2-CG2 4.01Å
120	L	97.9	Very high	97.4	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	135.7	-178.8	-47.2	179.5	0	0	0	109.4	R99 L100 I102 V118 L124 I125 A490 V492 I530	R99-L120 VanDerWaalsContact CA-O 3.29Å; R99-L120 WeakPolarHBondContact CA-O 3.43Å; L100-L120 HydrophobicContact CB-CB 4.16Å; L100-L120 HydrophobicContact CB-CD1 4.17Å; L100-L120 HydrophobicContact CB-CG 4.42Å; L100-L120 HydrophobicContact CD1-CD1 4.19Å; L100-L120 PolarHBondContact N-O 3.05Å; L100-L120 PolarHBondContact O-N 3.43Å; I102-L120 HydrophobicContact CD1-CD1 4.21Å; I102-L120 HydrophobicContact CG1-CD1 4.49Å; V118-L120 HydrophobicContact CG1-CD2 3.68Å; L120-L124 WeakPolarHBondContact CA-O 3.34Å; L120-I125 HydrophobicContact CD2-CB 4.2Å; L120-I125 HydrophobicContact CD2-CG1 3.51Å; L120-A490 HydrophobicContact CB-CB 4.25Å; L120-A490 HydrophobicContact CD1-CB 4.22Å; L120-A490 HydrophobicContact CD2-CB 3.92Å; L120-A490 HydrophobicContact CG-CB 4.36Å; L120-V492 HydrophobicContact CD2-CG2 4.48Å; L120-I530 HydrophobicContact CD1-CD1 3.87Å; L120-I530 HydrophobicContact CD1-CG2 3.98Å
121	E	96.3	Very high	97	Very high	44 Å²	44	57 Å²	57	21%	0.206	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	145.9	177.4	167.1	173.5	-120.3	0	0	108.8	R99 Y119 G123 L124 K126	R99-E121 WeakPolarHBondContact CD-OE1 3.4Å; R99-E121 HydrophobicContact CG-CB 3.98Å; R99-E121 HydrophobicContact CG-CG 3.86Å; Y119-E121 HydrophobicContact CE1-CB 4.04Å; Y119-E121 WeakPolarHBondContact CE1-OE2 3.49Å; Y119-E121 PolarHBondContact OH-OE1 3.29Å; Y119-E121 PolarHBondContact OH-OE2 3.14Å; E121-G123 PolarHBondContact O-N 3.33Å; E121-G123 VanDerWaalsContact O-N 3.11Å; E121-L124 PolarHBondContact N-O 3.29Å; E121-L124 PolarHBondContact O-N 2.98Å; E121-L124 VanDerWaalsContact O-O 3.12Å; E121-K126 HydrophobicContact CB-CD 4.49Å; E121-K126 HydrophobicContact CB-CG 3.77Å; E121-K126 HydrophobicContact CG-CG 4.47Å; E121-K126 WeakPolarHBondContact O-CE 3.47Å
122	D	94.2	Very high	96.9	Very high	107 Å²	107	54.2 Å²	54.2	57%	0.572	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	32.7	-176.6	-43.4	-42.2	0	0	0	114.3	L124 K126	D122-L124 VanDerWaalsContact C-N 3.27Å; D122-L124 PolarHBondContact O-N 2.9Å; D122-K126 WeakPolarHBondContact OD2-CE 3.42Å; D122-K126 IonicContact OD2-NZ 3.56Å; D122-K126 PolarHBondContact OD2-NZ 3.29Å
123	G	95.8	Very high	96.6	Very high	8 Å²	8	57 Å²	57	8%	0.082	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	70	17	-177.4	0	0	0	0	0	115.6	E121 A490 Q532	E121-G123 PolarHBondContact O-N 3.33Å; E121-G123 VanDerWaalsContact O-N 3.11Å; G123-A490 VanDerWaalsContact C-CB 3.46Å; G123-A490 WeakPolarHBondContact O-CB 3.23Å; G123-A490 PolarHBondContact O-N 3.33Å; G123-Q532 WeakPolarHBondContact CA-O 3.36Å
124	L	98.1	Very high	96.2	Very high	59 Å²	59	56.6 Å²	56.6	31%	0.309	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	151.5	177.3	-62.6	176.1	0	0	0	111.8	L120 E121 D122 K126 S488	L120-L124 WeakPolarHBondContact CA-O 3.34Å; E121-L124 PolarHBondContact N-O 3.29Å; E121-L124 PolarHBondContact O-N 2.98Å; E121-L124 VanDerWaalsContact O-O 3.12Å; D122-L124 VanDerWaalsContact C-N 3.27Å; D122-L124 PolarHBondContact O-N 2.9Å; L124-K126 PolarHBondContact O-N 2.88Å; L124-S488 WeakPolarHBondContact CA-O 3.43Å
125	I	98.5	Very high	95.8	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	110.3	165	-62.4	166.7	0	0	0	107.9	V118 L120 I128 I484 A485 V486 G487 S488 V492	V118-I125 HydrophobicContact CG1-CG1 4.3Å; V118-I125 HydrophobicContact CG1-CG2 3.82Å; L120-I125 HydrophobicContact CD2-CB 4.2Å; L120-I125 HydrophobicContact CD2-CG1 3.51Å; I125-I128 HydrophobicContact CG2-CD1 4.04Å; I125-I128 HydrophobicContact CG2-CG1 3.88Å; I125-I484 HydrophobicContact CD1-CB 4.46Å; I125-I484 HydrophobicContact CD1-CD1 4.1Å; I125-I484 HydrophobicContact CD1-CG2 4.1Å; I125-A485 WeakPolarHBondContact CB-O 3.27Å; I125-A485 WeakPolarHBondContact CG2-O 3.49Å; I125-V486 WeakPolarHBondContact O-CA 3.4Å; I125-G487 PolarHBondContact O-N 3.1Å; I125-S488 PolarHBondContact N-O 3.04Å; I125-V492 HydrophobicContact CD1-CG2 4.38Å
126	K	97.8	Very high	95.3	Very high	67 Å²	67	53.1 Å²	53.1	29%	0.291	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-38.8	-178.8	-61.5	-67.4	-170.9	169.1	0	113.1	Y119 E121 D122 L124 V486	Y119-K126 HydrophobicContact CD1-CB 3.81Å; Y119-K126 HydrophobicContact CD1-CG 4.36Å; Y119-K126 HydrophobicContact CE1-CB 4.15Å; Y119-K126 HydrophobicContact CE1-CG 4.27Å; Y119-K126 PolarHBondContact O-N 2.86Å; E121-K126 HydrophobicContact CB-CD 4.49Å; E121-K126 HydrophobicContact CB-CG 3.77Å; E121-K126 HydrophobicContact CG-CG 4.47Å; E121-K126 WeakPolarHBondContact O-CE 3.47Å; D122-K126 WeakPolarHBondContact OD2-CE 3.42Å; D122-K126 IonicContact OD2-NZ 3.56Å; D122-K126 PolarHBondContact OD2-NZ 3.29Å; L124-K126 PolarHBondContact O-N 2.88Å; K126-V486 VanDerWaalsContact O-CG1 3.32Å; K126-V486 WeakPolarHBondContact O-CG1 3.4Å
127	Q	97.8	Very high	94.8	Very high	92 Å²	92	56.2 Å²	56.2	43%	0.43	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	146.4	-176.9	-56.5	-177	19.5	0	0	111	Y119 L132	Y119-Q127 HydrophobicContact CD1-CG 4.36Å; Y119-Q127 PolarHBondContact N-O 2.85Å; Y119-Q127 PolarHBondContact O-N 2.99Å; Q127-L132 HydrophobicContact CB-CD1 4.12Å; Q127-L132 HydrophobicContact CB-CD2 4.37Å
128	I	98.2	Very high	94.6	Very high	52 Å²	52	56.9 Å²	56.9	27%	0.267	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	133.1	170.6	-62.3	171.3	0	0	0	106.5	I107 A116 D117 V118 I125 I484 V486	I107-I128 HydrophobicContact CD1-CD1 4.48Å; I107-I128 HydrophobicContact CD1-CG1 4.49Å; I107-I128 HydrophobicContact CD1-CG2 3.47Å; I107-I128 VanDerWaalsContact CD1-CG2 3.47Å; A116-I128 HydrophobicContact CB-CG2 3.77Å; D117-I128 WeakPolarHBondContact O-CA 3.32Å; V118-I128 HydrophobicContact CG1-CG1 4.33Å; V118-I128 HydrophobicContact CG2-CG1 4.48Å; I125-I128 HydrophobicContact CG2-CD1 4.04Å; I125-I128 HydrophobicContact CG2-CG1 3.88Å; I128-I484 HydrophobicContact CD1-CG2 3.96Å; I128-V486 HydrophobicContact CG1-CG2 4.32Å
129	G	96.8	Very high	94.4	Very high	21 Å²	21	61.4 Å²	61.4	22%	0.216	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.7	173.6	177.7	0	0	0	0	0	113.2	D117	D117-G129 WeakPolarHBondContact CB-O 3.38Å; D117-G129 PolarHBondContact N-O 2.9Å; D117-G129 PolarHBondContact O-N 2.9Å; D117-G129 VanDerWaalsContact O-N 3.15Å
130	E	93.9	Very high	94.2	Very high	156 Å²	156	64.3 Å²	64.3	73%	0.729	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	133.8	175.5	-63.5	178.7	-171.7	0	0	111	L132	E130-L132 PolarHBondContact O-N 2.94Å
131	N	91.6	Very high	94.2	Very high	126 Å²	126	64.8 Å²	64.8	67%	0.674	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	50.1	173.3	-56.4	-79.2	0	0	0	113.2	D117 I133	D117-N131 VanDerWaalsContact OD2-CA 3.23Å; D117-N131 WeakPolarHBondContact OD2-CA 3.42Å; D117-N131 PolarHBondContact OD2-N 3.05Å; N131-I133 PolarHBondContact O-N 3.23Å
132	L	94.6	Very high	94.1	Very high	31 Å²	31	67.5 Å²	67.5	16%	0.162	39%	0.388	C	S	.	.			trans	-60.9	130.5	-174.7	-71	179.3	0	0	0	112.3	L101 D117 Q127 E130 V134	L101-L132 HydrophobicContact CD1-CB 4.3Å; L101-L132 HydrophobicContact CD1-CD1 4.36Å; D117-L132 HydrophobicContact CB-CB 4.21Å; D117-L132 HydrophobicContact CB-CD1 3.92Å; D117-L132 HydrophobicContact CB-CG 3.96Å; D117-L132 WeakPolarHBondContact O-CD1 3.15Å; D117-L132 PolarHBondContact OD2-N 3.02Å; Q127-L132 HydrophobicContact CB-CD1 4.12Å; Q127-L132 HydrophobicContact CB-CD2 4.37Å; E130-L132 PolarHBondContact O-N 2.94Å; L132-V134 HydrophobicContact CB-CG1 4.28Å
133	I	90.7	Very high	94.2	Very high	163 Å²	163	62.5 Å²	62.5	84%	0.836	36%	0.361	S	S	*	.			trans	-93.5	100.5	172.1	-56.2	175.9	0	0	0	108	N131	N131-I133 PolarHBondContact O-N 3.23Å
134	V	90.9	Very high	94	Very high	34 Å²	34	68.4 Å²	68.4	21%	0.206	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-98.5	162.1	-179.5	-59	0	0	0	0	112	L101 Y119 L132 V138	L101-V134 HydrophobicContact CB-CG2 4.48Å; L101-V134 HydrophobicContact CD1-CG1 4.01Å; L101-V134 HydrophobicContact CD2-CG1 4.22Å; L101-V134 HydrophobicContact CD2-CG2 3.87Å; Y119-V134 HydrophobicContact CD1-CG1 4.46Å; Y119-V134 HydrophobicContact CD2-CB 4.02Å; Y119-V134 HydrophobicContact CD2-CG1 3.49Å; Y119-V134 VanDerWaalsContact CD2-CG1 3.49Å; Y119-V134 HydrophobicContact CE2-CB 4.09Å; Y119-V134 HydrophobicContact CE2-CG1 4.07Å; Y119-V134 HydrophobicContact CG-CG1 3.72Å; L132-V134 HydrophobicContact CB-CG1 4.28Å; V134-V138 HydrophobicContact CB-CG2 4.45Å; V134-V138 HydrophobicContact CG2-CB 4.13Å; V134-V138 HydrophobicContact CG2-CG1 4.17Å; V134-V138 HydrophobicContact CG2-CG2 4.18Å
135	P	88.6	Confident	93.6	Very high	66 Å²	66	67 Å²	67	43%	0.429	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-57.8	160.7	173.9	-25.2	35.8	0	0	0	113.7	V138	P135-V138 WeakPolarHBondContact O-CG2 3.48Å
136	G	87.1	Confident	93.5	Very high	70 Å²	70	70.5 Å²	70.5	72%	0.722	40%	0.404	S	S	*	.	S	Bend	trans	-66.5	148.1	173.5	0	0	0	0	0	113	R99	R99-G136 PolarHBondContact NH2-O 2.68Å
137	G	86.4	Confident	93.5	Very high	73 Å²	73	67.4 Å²	67.4	75%	0.753	39%	0.391	S	S	*	.	S	Bend	trans	76.6	38.1	178	0	0	0	0	0	114.2	R99	R99-G137 PolarHBondContact NH2-O 2.66Å
138	V	94	Very high	93.5	Very high	22 Å²	22	63 Å²	63	13%	0.133	37%	0.37	C	S	.	.			trans	-105	133.7	174.2	173.5	0	0	0	0	107.8	R99 L101 Y119 V134 P135 T140	R99-V138 HydrophobicContact CB-CB 4.45Å; R99-V138 HydrophobicContact CB-CG1 4.3Å; R99-V138 HydrophobicContact CB-CG2 3.87Å; R99-V138 WeakPolarHBondContact O-CG1 3.36Å; L101-V138 HydrophobicContact CB-CG1 3.87Å; Y119-V138 HydrophobicContact CD2-CG1 4.37Å; Y119-V138 HydrophobicContact CE2-CG1 4.08Å; Y119-V138 HydrophobicContact CE2-CG2 4.01Å; V134-V138 HydrophobicContact CB-CG2 4.45Å; V134-V138 HydrophobicContact CG2-CB 4.13Å; V134-V138 HydrophobicContact CG2-CG1 4.17Å; V134-V138 HydrophobicContact CG2-CG2 4.18Å; P135-V138 WeakPolarHBondContact O-CG2 3.48Å; V138-T140 PolarHBondContact O-N 3.06Å
139	K	94.3	Very high	93.6	Very high	95 Å²	95	60.6 Å²	60.6	41%	0.413	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	120.5	174.2	-179.5	-175.1	173.1	-171.2	0	108.4	R99 L100 L101 I535 E538	R99-K139 PolarHBondContact O-N 3.47Å; R99-K139 VanDerWaalsContact O-N 3.1Å; L100-K139 WeakPolarHBondContact CA-O 3.41Å; L100-K139 HydrophobicContact CD2-CB 3.86Å; L100-K139 HydrophobicContact CD2-CD 4.39Å; L100-K139 HydrophobicContact CD2-CG 4.46Å; L101-K139 PolarHBondContact N-O 3.28Å; K139-I535 HydrophobicContact CD-CD1 3.7Å; K139-E538 VanDerWaalsContact NZ-CD 3.29Å; K139-E538 IonicContact NZ-OE1 2.65Å; K139-E538 PolarHBondContact NZ-OE1 3.29Å; K139-E538 IonicContact NZ-OE2 3.22Å; K139-E538 PolarHBondContact NZ-OE2 2.92Å
140	T	95.6	Very high	93.7	Very high	65 Å²	65	59.7 Å²	59.7	40%	0.399	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	137.4	172.5	-53.2	0	0	0	0	110.4	L101 K103 V138 E142	L101-T140 HydrophobicContact CD2-CG2 4.48Å; L101-T140 CarbonylContact O-C 3.54Å; L101-T140 WeakPolarHBondContact O-CA 3.48Å; K103-T140 HydrophobicContact CB-CG2 3.94Å; K103-T140 HydrophobicContact CD-CG2 4.37Å; V138-T140 PolarHBondContact O-N 3.06Å; T140-E142 WeakPolarHBondContact CG2-OE1 3.49Å
141	I	96.4	Very high	93.9	Very high	10 Å²	10	52.4 Å²	52.4	5%	0.051	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	110.4	173	-47.6	169.7	0	0	0	106.7	L100 L101 I102 K103 A143 I494 V528 I530 I535	L100-I141 HydrophobicContact CD1-CD1 4.22Å; L101-I141 PolarHBondContact O-N 2.96Å; I102-I141 WeakPolarHBondContact CA-O 3.45Å; I102-I141 HydrophobicContact CG1-CD1 4.47Å; K103-I141 PolarHBondContact N-O 2.59Å; I141-A143 PolarHBondContact O-N 2.71Å; I141-I494 HydrophobicContact CB-CD1 4.35Å; I141-I494 HydrophobicContact CG2-CD1 3.51Å; I141-V528 HydrophobicContact CG2-CG2 4.27Å; I141-I530 HydrophobicContact CD1-CD1 3.76Å; I141-I535 HydrophobicContact CD1-CD1 3.59Å; I141-I535 HydrophobicContact CD1-CG1 3.94Å; I141-I535 HydrophobicContact CG1-CD1 4.07Å
142	E	95.8	Very high	94.3	Very high	101 Å²	101	46.4 Å²	46.4	47%	0.472	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	108.2	179.9	-64	-64.8	164.7	0	0	109.7	T140 N144	T140-E142 WeakPolarHBondContact CG2-OE1 3.49Å; E142-N144 VanDerWaalsContact C-N 3.33Å; E142-N144 PolarHBondContact O-ND2 2.65Å
143	A	95.8	Very high	94.5	Very high	2 Å²	2	45 Å²	45	2%	0.017	28%	0.275	C	S	.	.			trans	-79.6	-14.7	179.7	0	0	0	0	0	112.7	I102 K103 I141 G145 R146 V148 I494	I102-A143 HydrophobicContact CG2-CB 3.89Å; K103-A143 WeakPolarHBondContact O-CB 3.39Å; K103-A143 PolarHBondContact O-N 2.66Å; I141-A143 PolarHBondContact O-N 2.71Å; A143-G145 VanDerWaalsContact C-N 3.3Å; A143-G145 PolarHBondContact O-N 3.16Å; A143-R146 WeakPolarHBondContact O-CB 3.49Å; A143-R146 WeakPolarHBondContact O-CG 3.28Å; A143-R146 PolarHBondContact O-N 2.89Å; A143-V148 HydrophobicContact CB-CG2 4.25Å; A143-I494 HydrophobicContact CB-CD1 4.37Å; A143-I494 HydrophobicContact CB-CG2 4.34Å
144	N	91.5	Very high	94.9	Very high	131 Å²	131	37.2 Å²	37.2	70%	0.701	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	41.8	172	-63.1	-64.4	0	0	0	114.4	E142 R146	E142-N144 VanDerWaalsContact C-N 3.33Å; E142-N144 PolarHBondContact O-ND2 2.65Å; N144-R146 PolarHBondContact O-N 2.94Å
145	G	89.1	Confident	95.2	Very high	30 Å²	30	35.6 Å²	35.6	31%	0.309	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	-0.8	-177.7	0	0	0	0	0	115.3	G104 A143	G104-G145 VanDerWaalsContact O-CA 3.28Å; G104-G145 WeakPolarHBondContact O-CA 3.42Å; G104-G145 PolarHBondContact O-N 2.73Å; A143-G145 VanDerWaalsContact C-N 3.3Å; A143-G145 PolarHBondContact O-N 3.16Å
146	R	96.1	Very high	95.7	Very high	73 Å²	73	32.5 Å²	32.5	28%	0.275	21%	0.205	S	C	.	.			trans	-70.4	163	177.3	-59.3	-62.8	-176.2	79.8	-35.6	112.1	R106 A143 N144 I494 D496	R106-R146 PolarHBondContact N-O 2.92Å; A143-R146 WeakPolarHBondContact O-CB 3.49Å; A143-R146 WeakPolarHBondContact O-CG 3.28Å; A143-R146 PolarHBondContact O-N 2.89Å; N144-R146 PolarHBondContact O-N 2.94Å; R146-I494 HydrophobicContact CB-CG2 4.15Å; R146-D496 IonicContact CZ-OD1 3.28Å; R146-D496 VanDerWaalsContact CZ-OD1 3.28Å; R146-D496 IonicContact CZ-OD2 3.15Å; R146-D496 IonicContact NH1-OD1 3.92Å; R146-D496 PolarHBondContact NH1-OD1 3.27Å; R146-D496 IonicContact NH1-OD2 3.31Å; R146-D496 PolarHBondContact NH1-OD2 3.17Å; R146-D496 IonicContact NH2-OD1 2.94Å; R146-D496 PolarHBondContact NH2-OD1 2.78Å; R146-D496 IonicContact NH2-OD2 2.87Å; R146-D496 PolarHBondContact NH2-OD2 3.44Å
147	M	98.4	Very high	96.2	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.01	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	134.2	-173.2	-63.6	169.9	72.1	0	0	110.3	R106 I108 I149 W449 E460 I494 W495 P497	R106-M147 CarbonylContact O-C 3.45Å; R106-M147 WeakPolarHBondContact O-CA 3.4Å; I108-M147 HydrophobicContact CD1-CE 4.28Å; I108-M147 HydrophobicContact CD1-CG 4.32Å; I108-M147 HydrophobicContact CG1-CB 4.02Å; I108-M147 HydrophobicContact CG1-CE 3.72Å; I108-M147 HydrophobicContact CG1-CG 4.14Å; M147-I149 HydrophobicContact CB-CG2 4.02Å; M147-I149 HydrophobicContact CE-CG2 4.29Å; M147-W449 HydrophobicContact CE-CH2 3.52Å; M147-W449 HydrophobicContact CE-CZ3 3.63Å; M147-W449 HydrophobicContact SD-CH2 3.54Å; M147-W449 VanDerWaalsContact SD-CH2 3.54Å; M147-W449 HydrophobicContact SD-CZ2 4.26Å; M147-W449 HydrophobicContact SD-CZ3 4.13Å; M147-E460 HydrophobicContact CE-CB 3.64Å; M147-I494 CarbonylContact O-C 3.2Å; M147-I494 WeakPolarHBondContact O-CA 3.48Å; M147-W495 HydrophobicContact CB-CB 4.13Å; M147-W495 PolarHBondContact N-O 3.15Å; M147-W495 PolarHBondContact O-N 3.01Å; M147-P497 HydrophobicContact SD-CB 3.98Å; M147-P497 HydrophobicContact SD-CG 4.14Å
148	V	98.8	Very high	96.8	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	102.5	174.6	-178.8	0	0	0	0	106.6	I102 R106 I107 I108 V118 A143 V492	I102-V148 HydrophobicContact CD1-CG1 4.11Å; I102-V148 HydrophobicContact CG2-CG2 3.87Å; R106-V148 PolarHBondContact O-N 2.74Å; I107-V148 WeakPolarHBondContact CA-O 3.39Å; I107-V148 HydrophobicContact CG1-CB 4.32Å; I108-V148 PolarHBondContact N-O 2.86Å; V118-V148 HydrophobicContact CG2-CG1 4.33Å; A143-V148 HydrophobicContact CB-CG2 4.25Å; V148-V492 HydrophobicContact CG1-CG1 3.49Å; V148-V492 VanDerWaalsContact CG1-CG1 3.49Å
149	I	98.9	Very high	96.9	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	154.1	-170.4	71.1	175.3	0	0	0	110.5	I108 M147 G151 M445 F463 V464 V493 W495	I108-I149 HydrophobicContact CB-CG2 3.9Å; I108-I149 HydrophobicContact CG1-CG2 3.89Å; M147-I149 HydrophobicContact CB-CG2 4.02Å; M147-I149 HydrophobicContact CE-CG2 4.29Å; I149-G151 PolarHBondContact O-N 3.35Å; I149-M445 HydrophobicContact CD1-CE 4.07Å; I149-F463 HydrophobicContact CD1-CE1 3.89Å; I149-V464 HydrophobicContact CB-CG2 4.1Å; I149-V464 HydrophobicContact CG2-CG2 4.19Å; I149-V493 HydrophobicContact CD1-CB 4.34Å; I149-V493 HydrophobicContact CD1-CG1 4.45Å; I149-V493 HydrophobicContact CG1-CB 3.78Å; I149-V493 HydrophobicContact CG1-CG1 4.3Å; I149-V493 PolarHBondContact N-O 2.95Å; I149-V493 PolarHBondContact O-N 2.71Å; I149-W495 HydrophobicContact CD1-CB 4.08Å; I149-W495 HydrophobicContact CD1-CD2 4.4Å; I149-W495 HydrophobicContact CD1-CE3 4.32Å; I149-W495 HydrophobicContact CD1-CG 4.33Å; I149-W495 HydrophobicContact CG1-CB 4.45Å
150	P	98.9	Very high	96.8	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.019	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	139.9	166.7	-17.5	30.3	0	0	0	109.4	I108 V464 I484	I108-P150 WeakPolarHBondContact O-CD 3.37Å; P150-V464 HydrophobicContact CG-CG1 3.76Å; P150-I484 HydrophobicContact CB-CD1 4.47Å; P150-I484 HydrophobicContact CG-CD1 4.32Å; P150-I484 HydrophobicContact CG-CG1 4.05Å
151	G	98.9	Very high	96.6	Very high	3 Å²	3	20.7 Å²	20.7	3%	0.031	11%	0.107	C	C	.	.	P	Polyproline II helix	trans	-57.5	144.6	171.5	0	0	0	0	0	111.7	I149 T185 S468 D491	I149-G151 PolarHBondContact O-N 3.35Å; G151-T185 VanDerWaalsContact CA-OG1 3.31Å; G151-T185 WeakPolarHBondContact CA-OG1 3.17Å; G151-S468 WeakPolarHBondContact O-CB 3.31Å; G151-S468 PolarHBondContact O-OG 3.33Å; G151-D491 PolarHBondContact N-O 2.87Å
152	G	98.9	Very high	96.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	144.4	-179	0	0	0	0	0	111.6	G183 T184 T185 M186	G152-G183 PolarHBondContact N-O 3.5Å; G152-T184 CarbonylContact O-C 3.57Å; G152-T184 WeakPolarHBondContact O-CA 3.4Å; G152-T184 WeakPolarHBondContact O-CG2 3.25Å; G152-T185 PolarHBondContact O-N 2.87Å; G152-M186 PolarHBondContact O-N 2.8Å
153	I	98.9	Very high	95.7	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.005	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	114.4	170.3	-55.1	178	0	0	0	107.1	V155 M186 R444 T467 A471 A472 K481	I153-V155 HydrophobicContact CG2-CG1 3.99Å; I153-M186 WeakPolarHBondContact CA-O 3.3Å; I153-M186 HydrophobicContact CG1-CB 4.27Å; I153-M186 HydrophobicContact CG2-CB 4.34Å; I153-M186 HydrophobicContact CG2-CG 4.4Å; I153-M186 HydrophobicContact CG2-SD 4.45Å; I153-R444 PolarHBondContact O-NH1 3.3Å; I153-R444 VanDerWaalsContact O-NH1 3.15Å; I153-T467 PolarHBondContact N-O 2.81Å; I153-A471 HydrophobicContact CB-CB 4.1Å; I153-A471 HydrophobicContact CG2-CB 4.06Å; I153-A472 HydrophobicContact CD1-CB 3.84Å; I153-K481 HydrophobicContact CD1-CB 3.94Å
154	D	98.9	Very high	95.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	113.6	174.7	-168.3	-15.1	0	0	0	109.4	N156 T157 T184 M186 I187 I188 G413 S414 R444	D154-N156 PolarHBondContact OD1-N 3.15Å; D154-T157 HydrophobicContact CB-CG2 4.39Å; D154-T184 HydrophobicContact CB-CG2 3.7Å; D154-M186 PolarHBondContact N-O 3.19Å; D154-I187 CarbonylContact O-C 3.54Å; D154-I187 VanDerWaalsContact O-CA 3.25Å; D154-I187 WeakPolarHBondContact O-CA 3.34Å; D154-I188 PolarHBondContact O-N 3Å; D154-G413 VanDerWaalsContact OD1-CA 3.32Å; D154-G413 WeakPolarHBondContact OD1-CA 2.99Å; D154-S414 VanDerWaalsContact CG-OG 3.32Å; D154-S414 PolarHBondContact OD1-N 3.08Å; D154-S414 PolarHBondContact OD1-OG 2.86Å; D154-S414 WeakPolarHBondContact OD2-CB 3.41Å; D154-S414 PolarHBondContact OD2-N 3.25Å; D154-S414 PolarHBondContact OD2-OG 2.96Å; D154-R444 IonicContact OD2-NE 3.29Å
155	V	98	Very high	94.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	1.2	-169.4	-65	0	0	0	0	113.7	I153 I188 H221 Y334 E360 V411 A471 F475	I153-V155 HydrophobicContact CG2-CG1 3.99Å; V155-I188 CarbonylContact C-O 3.56Å; V155-I188 HydrophobicContact CB-CD1 4.45Å; V155-I188 HydrophobicContact CG1-CD1 4Å; V155-I188 HydrophobicContact CG1-CG1 4.4Å; V155-H221 PolarHBondContact O-CD2 3.45Å; V155-H221 PolarHBondContact O-NE2 3.23Å; V155-Y334 WeakPolarHBondContact CG2-OH 3.4Å; V155-E360 VanDerWaalsContact CG2-OE2 3.24Å; V155-E360 WeakPolarHBondContact CG2-OE2 3.36Å; V155-V411 HydrophobicContact CG1-CG1 4.4Å; V155-V411 HydrophobicContact CG2-CG1 3.59Å; V155-A471 HydrophobicContact CG1-CB 3.45Å; V155-A471 VanDerWaalsContact CG1-CB 3.45Å; V155-F475 HydrophobicContact CB-CD2 4.45Å; V155-F475 HydrophobicContact CB-CE2 3.87Å; V155-F475 HydrophobicContact CG1-CD2 3.83Å; V155-F475 HydrophobicContact CG1-CE2 3.68Å; V155-F475 HydrophobicContact CG2-CE2 4.43Å
156	N	98.3	Very high	95.1	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	85.6	-173.5	-163.7	-27	0	0	0	110.9	D154 Y158 E360 S414 G415 H416	D154-N156 PolarHBondContact OD1-N 3.15Å; N156-Y158 WeakPolarHBondContact OD1-CE2 3.31Å; N156-E360 WeakPolarHBondContact CB-OE1 3.45Å; N156-E360 PolarHBondContact ND2-OE1 3.44Å; N156-S414 PolarHBondContact O-OG 3.48Å; N156-G415 VanDerWaalsContact O-CA 3.24Å; N156-G415 WeakPolarHBondContact O-CA 3.49Å; N156-G415 PolarHBondContact O-N 3.17Å; N156-H416 PolarHBondContact O-N 2.95Å
157	T	98.7	Very high	94.9	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	154.3	178.9	56.9	0	0	0	0	111.4	D154 I187 I188 D189 H190 I441	D154-T157 HydrophobicContact CB-CG2 4.39Å; T157-I187 HydrophobicContact CG2-CB 4.38Å; T157-I187 HydrophobicContact CG2-CG2 4.34Å; T157-I188 PolarHBondContact N-O 2.99Å; T157-I188 PolarHBondContact OG1-O 3.47Å; T157-D189 WeakPolarHBondContact O-CA 3.21Å; T157-D189 VanDerWaalsContact OG1-CA 3.32Å; T157-D189 WeakPolarHBondContact OG1-CA 3.41Å; T157-D189 PolarHBondContact OG1-OD1 2.75Å; T157-H190 PolarHBondContact O-N 2.64Å; T157-I441 HydrophobicContact CG2-CD1 3.73Å; T157-I441 HydrophobicContact CG2-CG1 4.31Å
158	Y	98.2	Very high	94.7	Very high	7 Å²	7	21.1 Å²	21.1	3%	0.027	13%	0.133	C	C	.	.			trans	-139.2	60.7	-177.2	-66	-85.9	0	0	0	111.8	N156 Q160 K161 A168 D189 H190 V192 Q248 H416 C417	N156-Y158 WeakPolarHBondContact OD1-CE2 3.31Å; Y158-Q160 PolarHBondContact O-N 2.98Å; Y158-K161 HydrophobicContact CD1-CB 4.06Å; Y158-K161 HydrophobicContact CD1-CD 3.47Å; Y158-K161 VanDerWaalsContact CD1-CD 3.47Å; Y158-K161 HydrophobicContact CD1-CG 4.32Å; Y158-K161 HydrophobicContact CE1-CD 4.02Å; Y158-K161 HydrophobicContact CG-CB 4.35Å; Y158-K161 HydrophobicContact CG-CD 3.98Å; Y158-A168 WeakPolarHBondContact O-CB 3.23Å; Y158-D189 WeakPolarHBondContact CA-OD1 3.48Å; Y158-D189 PolarHBondContact N-OD1 2.87Å; Y158-D189 VanDerWaalsContact N-OD1 3.17Å; Y158-H190 HydrophobicContact CD1-CB 3.53Å; Y158-H190 HydrophobicContact CE1-CB 3.28Å; Y158-H190 AromaticContact CE1-CD2 3.74Å; Y158-H190 AromaticContact CE1-CG 3.47Å; Y158-H190 VanDerWaalsContact CE1-CG 3.47Å; Y158-H190 AromaticContact CE2-CD2 4Å; Y158-H190 HydrophobicContact CG-CB 4.45Å; Y158-H190 AromaticContact CZ-CD2 3.49Å; Y158-H190 VanDerWaalsContact CZ-CD2 3.49Å; Y158-H190 AromaticContact CZ-CG 3.67Å; Y158-H190 AromaticContact CZ-NE2 3.96Å; Y158-H190 PolarHBondContact OH-CD2 2.94Å; Y158-H190 PolarHBondContact OH-NE2 3Å; Y158-V192 HydrophobicContact CD1-CG2 4.03Å; Y158-V192 HydrophobicContact CE1-CG2 4.05Å; Y158-Q248 PolarHBondContact OH-NE2 3.11Å; Y158-H416 PolarHBondContact N-O 3.35Å; Y158-C417 HydrophobicContact CD2-CB 4.04Å; Y158-C417 HydrophobicContact CG-CB 4.2Å
159	L	97.3	Very high	94.6	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.016	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	1.2	-173.7	-60.5	-178.7	0	0	0	114.7	D170 D171 F172 T176 I187 D189	L159-D170 HydrophobicContact CD2-CB 4.23Å; L159-D171 WeakPolarHBondContact O-CA 3.35Å; L159-F172 HydrophobicContact CB-CD1 4.14Å; L159-F172 HydrophobicContact CB-CD2 4.45Å; L159-F172 HydrophobicContact CB-CE1 4.21Å; L159-F172 HydrophobicContact CB-CG 4.25Å; L159-F172 HydrophobicContact CB-CZ 4.39Å; L159-F172 HydrophobicContact CD1-CD1 3.9Å; L159-F172 HydrophobicContact CD1-CE1 4.31Å; L159-F172 HydrophobicContact CD1-CG 4.5Å; L159-T176 HydrophobicContact CD1-CG2 4.13Å; L159-I187 HydrophobicContact CD1-CD1 3.63Å; L159-D189 WeakPolarHBondContact CB-OD1 3.23Å; L159-D189 PolarHBondContact N-OD1 3.42Å
160	Q	91.4	Very high	94.5	Very high	44 Å²	44	22.6 Å²	22.6	21%	0.206	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-144.1	15	171.5	-153.5	173.8	-0.1	0	0	113.8	Y158 P162 F172 W206	Y158-Q160 PolarHBondContact O-N 2.98Å; Q160-P162 WeakPolarHBondContact O-CD 3.39Å; Q160-F172 HydrophobicContact CB-CE2 4.16Å; Q160-W206 HydrophobicContact CB-CZ2 4.24Å
161	K	90.9	Very high	94.4	Very high	23 Å²	23	24.7 Å²	24.7	10%	0.1	16%	0.157	C	C	.	.			trans	-60.1	121.7	-174.1	172.7	166.4	169.4	-74.3	0	112	Y158 A168 V192	Y158-K161 HydrophobicContact CD1-CB 4.06Å; Y158-K161 HydrophobicContact CD1-CD 3.47Å; Y158-K161 VanDerWaalsContact CD1-CD 3.47Å; Y158-K161 HydrophobicContact CD1-CG 4.32Å; Y158-K161 HydrophobicContact CE1-CD 4.02Å; Y158-K161 HydrophobicContact CG-CB 4.35Å; Y158-K161 HydrophobicContact CG-CD 3.98Å; K161-A168 PolarHBondContact O-N 3.36Å; K161-V192 HydrophobicContact CD-CG2 4.32Å; K161-V192 HydrophobicContact CG-CG2 4.35Å
162	P	87.7	Confident	94.4	Very high	22 Å²	22	24.6 Å²	24.6	14%	0.143	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	146.6	173.9	29.2	-33.7	0	0	0	110.8	Q160 M166 E194	Q160-P162 WeakPolarHBondContact O-CD 3.39Å; P162-M166 CarbonylContact C-O 3.49Å; P162-M166 WeakPolarHBondContact CA-O 3.08Å; P162-E194 HydrophobicContact CG-CG 4.26Å
163	S	87.1	Confident	94.4	Very high	20 Å²	20	26.8 Å²	26.8	14%	0.14	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	112.1	172.5	-173	0	0	0	0	109.8	G165 M166 Y419	S163-G165 VanDerWaalsContact C-N 3.27Å; S163-G165 PolarHBondContact O-N 2.97Å; S163-M166 PolarHBondContact N-O 2.87Å; S163-M166 WeakPolarHBondContact O-CA 3.34Å; S163-M166 WeakPolarHBondContact O-CB 3.46Å; S163-M166 PolarHBondContact O-N 2.85Å; S163-Y419 WeakPolarHBondContact CB-OH 3.33Å
164	Q	84.6	Confident	94.3	Very high	105 Å²	105	28.7 Å²	28.7	49%	0.491	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	41.4	176.9	-57.4	177.7	52	0	0	114	M166 L433	Q164-M166 VanDerWaalsContact C-N 3.27Å; Q164-M166 HydrophobicContact CB-CE 4.46Å; Q164-M166 PolarHBondContact O-N 2.88Å; Q164-L433 PolarHBondContact NE2-O 3.37Å
165	G	85.6	Confident	94.3	Very high	86 Å²	86	28.7 Å²	28.7	89%	0.887	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.4	1.7	-177.3	0	0	0	0	0	115.4	S163	S163-G165 VanDerWaalsContact C-N 3.27Å; S163-G165 PolarHBondContact O-N 2.97Å
166	M	92.5	Very high	94.3	Very high	41 Å²	41	28.7 Å²	28.7	20%	0.202	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	165.1	170.6	-55.9	177.5	-76	0	0	110.9	P162 S163 Q164 Q423 V426 P435	P162-M166 CarbonylContact C-O 3.49Å; P162-M166 WeakPolarHBondContact CA-O 3.08Å; S163-M166 PolarHBondContact N-O 2.87Å; S163-M166 WeakPolarHBondContact O-CA 3.34Å; S163-M166 WeakPolarHBondContact O-CB 3.46Å; S163-M166 PolarHBondContact O-N 2.85Å; Q164-M166 VanDerWaalsContact C-N 3.27Å; Q164-M166 HydrophobicContact CB-CE 4.46Å; Q164-M166 PolarHBondContact O-N 2.88Å; M166-Q423 HydrophobicContact SD-CB 3.92Å; M166-Q423 HydrophobicContact SD-CG 3.85Å; M166-V426 HydrophobicContact CE-CB 4.41Å; M166-V426 HydrophobicContact CE-CG2 3.87Å; M166-V426 HydrophobicContact SD-CG2 4.08Å; M166-P435 HydrophobicContact CE-CG 4.26Å
167	T	92.8	Very high	94.3	Very high	77 Å²	77	31.7 Å²	31.7	47%	0.472	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	165.7	167.1	56.6	0	0	0	0	110.5	Q423	T167-Q423 PolarHBondContact O-NE2 3.32Å
168	A	94.5	Very high	94.3	Very high	7 Å²	7	31.8 Å²	31.8	6%	0.058	19%	0.186	C	C	.	.			trans	-51.8	151.9	165.2	0	0	0	0	0	111.5	Y158 K161 P418	Y158-A168 WeakPolarHBondContact O-CB 3.23Å; K161-A168 PolarHBondContact O-N 3.36Å; A168-P418 WeakPolarHBondContact CA-O 3.33Å
169	A	95.9	Very high	94.3	Very high	32 Å²	32	31.4 Å²	31.4	26%	0.264	19%	0.185	S	C	.	.	S	Bend	trans	-76.2	-34.5	-176.1	0	0	0	0	0	113	P418 V512	A169-P418 PolarHBondContact N-O 2.89Å; A169-V512 HydrophobicContact CB-CG1 3.51Å
170	D	97.1	Very high	94.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	-90.5	124.6	171	-76.4	-25.4	0	0	0	110	L159 Q174 H416 P418 S510 A511	L159-D170 HydrophobicContact CD2-CB 4.23Å; D170-Q174 HydrophobicContact CB-CB 4.47Å; D170-Q174 WeakPolarHBondContact OD1-CG 3.36Å; D170-H416 IonicContact OD2-CE1 2.77Å; D170-H416 PolarHBondContact OD2-CE1 3.14Å; D170-H416 VanDerWaalsContact OD2-CE1 3.31Å; D170-H416 IonicContact OD2-NE2 3.47Å; D170-H416 PolarHBondContact OD2-NE2 3.06Å; D170-P418 HydrophobicContact CB-CG 3.8Å; D170-S510 VanDerWaalsContact OD2-CA 3.32Å; D170-S510 WeakPolarHBondContact OD2-CA 3.26Å; D170-S510 WeakPolarHBondContact OD2-CB 3.33Å; D170-S510 PolarHBondContact OD2-OG 3.05Å; D170-A511 VanDerWaalsContact OD1-CB 3.29Å; D170-A511 WeakPolarHBondContact OD1-CB 3.47Å; D170-A511 PolarHBondContact OD1-N 3.17Å
171	D	97.1	Very high	94.7	Very high	47 Å²	47	29.6 Å²	29.6	25%	0.251	18%	0.177	S	C	.	.			trans	-92.2	178.4	171.8	84.1	-8.8	0	0	0	112.1	L159 F173 Q174 G175 K213	L159-D171 WeakPolarHBondContact O-CA 3.35Å; D171-F173 PolarHBondContact O-N 2.86Å; D171-F173 VanDerWaalsContact O-N 3.1Å; D171-F173 WeakPolarHBondContact OD1-CA 3.45Å; D171-F173 WeakPolarHBondContact OD1-CB 3.18Å; D171-F173 PolarHBondContact OD1-N 3.4Å; D171-Q174 PolarHBondContact O-N 3.42Å; D171-Q174 PolarHBondContact OD1-N 2.94Å; D171-G175 PolarHBondContact O-N 3.1Å; D171-K213 WeakPolarHBondContact OD2-CD 3.36Å; D171-K213 WeakPolarHBondContact OD2-CE 3.48Å; D171-K213 IonicContact OD2-NZ 3.1Å; D171-K213 PolarHBondContact OD2-NZ 2.8Å
172	F	98.4	Very high	95	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.009	17%	0.172	C	C	.	.	H	α-helix	trans	-52.2	-32.4	178.2	-82	-71.8	0	0	0	114.8	L159 Q160 T176 I187 D189 W206 A209 A210 K213	L159-F172 HydrophobicContact CB-CD1 4.14Å; L159-F172 HydrophobicContact CB-CD2 4.45Å; L159-F172 HydrophobicContact CB-CE1 4.21Å; L159-F172 HydrophobicContact CB-CG 4.25Å; L159-F172 HydrophobicContact CB-CZ 4.39Å; L159-F172 HydrophobicContact CD1-CD1 3.9Å; L159-F172 HydrophobicContact CD1-CE1 4.31Å; L159-F172 HydrophobicContact CD1-CG 4.5Å; Q160-F172 HydrophobicContact CB-CE2 4.16Å; F172-T176 WeakPolarHBondContact O-CB 3.48Å; F172-T176 VanDerWaalsContact O-CG2 3.23Å; F172-T176 WeakPolarHBondContact O-CG2 3.41Å; F172-T176 PolarHBondContact O-N 3.01Å; F172-T176 PolarHBondContact O-OG1 2.86Å; F172-I187 HydrophobicContact CD1-CD1 4.15Å; F172-I187 HydrophobicContact CE1-CD1 4.05Å; F172-D189 HydrophobicContact CE1-CB 3.71Å; F172-D189 HydrophobicContact CZ-CB 3.86Å; F172-D189 WeakPolarHBondContact CZ-OD2 3.46Å; F172-W206 AromaticContact CZ-CD1 3.98Å; F172-A209 HydrophobicContact CD2-CB 4.22Å; F172-A209 HydrophobicContact CE2-CB 4.43Å; F172-A210 HydrophobicContact CD1-CB 3.67Å; F172-A210 HydrophobicContact CD2-CB 3.97Å; F172-A210 HydrophobicContact CE1-CB 3.68Å; F172-A210 HydrophobicContact CE2-CB 3.97Å; F172-A210 HydrophobicContact CG-CB 3.84Å; F172-A210 HydrophobicContact CZ-CB 3.84Å; F172-K213 HydrophobicContact CB-CB 3.77Å; F172-K213 HydrophobicContact CB-CD 4.32Å
173	F	98.1	Very high	95.5	Very high	46 Å²	46	27.5 Å²	27.5	20%	0.202	17%	0.166	C	C	.	.	H	α-helix	trans	-74.5	-50.5	175.1	173.4	-111.1	0	0	0	110.3	D171 R177 K213 C215 V544 K546	D171-F173 PolarHBondContact O-N 2.86Å; D171-F173 VanDerWaalsContact O-N 3.1Å; D171-F173 WeakPolarHBondContact OD1-CA 3.45Å; D171-F173 WeakPolarHBondContact OD1-CB 3.18Å; D171-F173 PolarHBondContact OD1-N 3.4Å; F173-R177 WeakPolarHBondContact O-CB 3.48Å; F173-R177 PolarHBondContact O-N 2.7Å; F173-K213 WeakPolarHBondContact CA-O 3.32Å; F173-K213 HydrophobicContact CB-CB 4.11Å; F173-C215 WeakPolarHBondContact CD2-SG 3.46Å; F173-C215 VanDerWaalsContact CE2-SG 3.54Å; F173-V544 HydrophobicContact CE2-CG2 4.49Å; F173-K546 HydrophobicContact CB-CG 4.16Å; F173-K546 HydrophobicContact CD1-CG 4.48Å; F173-K546 HydrophobicContact CD2-CB 4.32Å; F173-K546 HydrophobicContact CD2-CD 4.3Å; F173-K546 HydrophobicContact CD2-CG 3.29Å; F173-K546 HydrophobicContact CE2-CG 3.68Å; F173-K546 HydrophobicContact CG-CD 4.31Å; F173-K546 HydrophobicContact CG-CG 3.73Å; F173-K546 HydrophobicContact CZ-CG 4.42Å
174	Q	97.3	Very high	96.1	Very high	41 Å²	41	26.6 Å²	26.6	19%	0.192	16%	0.159	C	C	.	.	H	α-helix	trans	-71.2	-39.2	-172.3	-167.7	52.5	90.7	0	0	112.8	D170 D171 A178 K509 A511	D170-Q174 HydrophobicContact CB-CB 4.47Å; D170-Q174 WeakPolarHBondContact OD1-CG 3.36Å; D171-Q174 PolarHBondContact O-N 3.42Å; D171-Q174 PolarHBondContact OD1-N 2.94Å; Q174-A178 WeakPolarHBondContact O-CB 3.39Å; Q174-A178 PolarHBondContact O-N 3.01Å; Q174-A178 VanDerWaalsContact O-N 3.1Å; Q174-K509 PolarHBondContact NE2-O 2.91Å; Q174-A511 HydrophobicContact CG-CB 4.43Å
175	G	98	Very high	96.8	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-67.6	-48.3	176.8	0	0	0	0	0	113	D171 R177 A178 A179	D171-G175 PolarHBondContact O-N 3.1Å; G175-R177 VanDerWaalsContact C-N 3.34Å; G175-R177 PolarHBondContact O-N 2.84Å; G175-A178 CarbonylContact O-C 3.57Å; G175-A178 WeakPolarHBondContact O-CA 3.23Å; G175-A178 WeakPolarHBondContact O-CB 3.46Å; G175-A178 PolarHBondContact O-N 2.97Å; G175-A179 PolarHBondContact O-N 3.1Å
176	T	98.7	Very high	97.4	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-70.9	-30.4	-179.8	62.1	0	0	0	0	112.7	L159 F172 A178 A179 L180 I187 S214 C215	L159-T176 HydrophobicContact CD1-CG2 4.13Å; F172-T176 WeakPolarHBondContact O-CB 3.48Å; F172-T176 VanDerWaalsContact O-CG2 3.23Å; F172-T176 WeakPolarHBondContact O-CG2 3.41Å; F172-T176 PolarHBondContact O-N 3.01Å; F172-T176 PolarHBondContact O-OG1 2.86Å; T176-A178 VanDerWaalsContact C-N 3.32Å; T176-A179 WeakPolarHBondContact O-CB 3.48Å; T176-A179 PolarHBondContact O-N 3.33Å; T176-L180 WeakPolarHBondContact O-CG 3.41Å; T176-L180 PolarHBondContact O-N 2.93Å; T176-I187 HydrophobicContact CG2-CD1 3.56Å; T176-I187 HydrophobicContact CG2-CG1 4.13Å; T176-I187 HydrophobicContact CG2-CG2 4.47Å; T176-S214 WeakPolarHBondContact CG2-OG 3.43Å; T176-C215 PolarHBondContact OG1-N 3.22Å
177	R	98.2	Very high	97.7	Very high	63 Å²	63	15.6 Å²	15.6	24%	0.238	8%	0.084	C	C	.	.	H	α-helix	trans	-61	-40.3	166.9	-178.9	177.4	172.3	-106.4	-1.1	111.9	F173 G175 V181 I542 V544	F173-R177 WeakPolarHBondContact O-CB 3.48Å; F173-R177 PolarHBondContact O-N 2.7Å; G175-R177 VanDerWaalsContact C-N 3.34Å; G175-R177 PolarHBondContact O-N 2.84Å; R177-V181 PolarHBondContact O-N 3.03Å; R177-I542 HydrophobicContact CB-CD1 4.49Å; R177-I542 HydrophobicContact CG-CD1 3.59Å; R177-I542 HydrophobicContact CG-CG1 4.32Å; R177-I542 VanDerWaalsContact O-CD1 3.24Å; R177-I542 WeakPolarHBondContact O-CD1 3.34Å; R177-V544 HydrophobicContact CB-CG2 4.39Å; R177-V544 HydrophobicContact CG-CG2 4Å
178	A	98.3	Very high	98	Very high	1 Å²	1	12 Å²	12	1%	0.008	6%	0.062	C	C	.	.	H	α-helix	trans	-69.4	-40.5	174.5	0	0	0	0	0	112.1	Q174 G175 T176 L180 V181 G182 I441 E442 K509	Q174-A178 WeakPolarHBondContact O-CB 3.39Å; Q174-A178 PolarHBondContact O-N 3.01Å; Q174-A178 VanDerWaalsContact O-N 3.1Å; G175-A178 CarbonylContact O-C 3.57Å; G175-A178 WeakPolarHBondContact O-CA 3.23Å; G175-A178 WeakPolarHBondContact O-CB 3.46Å; G175-A178 PolarHBondContact O-N 2.97Å; T176-A178 VanDerWaalsContact C-N 3.32Å; A178-L180 VanDerWaalsContact C-N 3.32Å; A178-L180 PolarHBondContact O-N 2.8Å; A178-V181 PolarHBondContact O-N 3.49Å; A178-G182 PolarHBondContact O-N 3.49Å; A178-I441 HydrophobicContact CB-CG2 3.84Å; A178-E442 HydrophobicContact CB-CB 4.27Å; A178-K509 HydrophobicContact CB-CB 3.9Å
179	A	98.8	Very high	98.2	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-53.6	-48.2	173.6	0	0	0	0	0	111.6	G175 T176 V181 G182 G183 T184 I187 I441	G175-A179 PolarHBondContact O-N 3.1Å; T176-A179 WeakPolarHBondContact O-CB 3.48Å; T176-A179 PolarHBondContact O-N 3.33Å; A179-V181 PolarHBondContact O-N 3.31Å; A179-G182 CarbonylContact O-C 3.6Å; A179-G182 WeakPolarHBondContact O-CA 3.48Å; A179-G182 PolarHBondContact O-N 2.93Å; A179-G183 PolarHBondContact O-N 3.29Å; A179-G183 VanDerWaalsContact O-N 3.15Å; A179-T184 CarbonylContact C-O 3.53Å; A179-T184 HydrophobicContact CB-CG2 4.03Å; A179-T184 WeakPolarHBondContact O-CB 3.34Å; A179-T184 PolarHBondContact O-N 3.21Å; A179-T184 VanDerWaalsContact O-O 3.13Å; A179-I187 HydrophobicContact CB-CG2 4.31Å; A179-I441 HydrophobicContact CB-CD1 3.92Å; A179-I441 HydrophobicContact CB-CG1 3.76Å
180	L	98.8	Very high	98.4	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-64	-38.5	178.9	-73.6	174.4	0	0	0	113.1	T176 A178 G182 G183 T184 T185 C215 C216 V529 V536 I542 V544	T176-L180 WeakPolarHBondContact O-CG 3.41Å; T176-L180 PolarHBondContact O-N 2.93Å; A178-L180 VanDerWaalsContact C-N 3.32Å; A178-L180 PolarHBondContact O-N 2.8Å; L180-G182 PolarHBondContact O-N 2.93Å; L180-G183 PolarHBondContact O-N 3.36Å; L180-T184 WeakPolarHBondContact CA-O 3.5Å; L180-T184 PolarHBondContact N-O 3.25Å; L180-T185 HydrophobicContact CD2-CG2 4.23Å; L180-C215 HydrophobicContact CD1-CB 3.8Å; L180-C216 HydrophobicContact CD1-CB 4.06Å; L180-C216 HydrophobicContact CD2-CB 3.81Å; L180-C216 HydrophobicContact CG-CB 3.91Å; L180-V529 HydrophobicContact CD2-CG1 4.09Å; L180-V529 WeakPolarHBondContact O-CG2 2.81Å; L180-V536 HydrophobicContact CD1-CB 4.28Å; L180-V536 HydrophobicContact CD1-CG2 4.05Å; L180-V536 HydrophobicContact CD2-CG2 3.83Å; L180-V536 HydrophobicContact CG-CG2 4.37Å; L180-I542 HydrophobicContact CB-CD1 4.15Å; L180-V544 HydrophobicContact CD1-CG1 3.73Å
181	V	98.2	Very high	98.4	Very high	9 Å²	9	10.1 Å²	10.1	6%	0.055	5%	0.047	C	C	.	.	H	α-helix	trans	-65.1	-28.6	172	174.8	0	0	0	0	111.9	R177 A178 A179 E442 K509 P526 F537 I542	R177-V181 PolarHBondContact O-N 3.03Å; A178-V181 PolarHBondContact O-N 3.49Å; A179-V181 PolarHBondContact O-N 3.31Å; V181-E442 HydrophobicContact CB-CG 4.32Å; V181-E442 HydrophobicContact CG1-CG 4.15Å; V181-K509 HydrophobicContact CB-CG 4.21Å; V181-K509 HydrophobicContact CG1-CG 4.41Å; V181-K509 HydrophobicContact CG2-CG 3.75Å; V181-P526 WeakPolarHBondContact O-CG 3.29Å; V181-F537 HydrophobicContact CB-CE2 4.46Å; V181-F537 HydrophobicContact CG1-CE2 4.02Å; V181-F537 HydrophobicContact CG1-CZ 4.31Å; V181-F537 HydrophobicContact CG2-CD2 3.99Å; V181-F537 HydrophobicContact CG2-CE2 4.1Å; V181-I542 HydrophobicContact CG2-CB 4.23Å; V181-I542 HydrophobicContact CG2-CD1 3.52Å; V181-I542 HydrophobicContact CG2-CG1 4.47Å; V181-I542 HydrophobicContact CG2-CG2 4.48Å
182	G	97.9	Very high	98.4	Very high	1 Å²	1	7.9 Å²	7.9	1%	0.01	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-6.9	174.6	0	0	0	0	0	115.6	A178 A179 L180 E442 M445	A178-G182 PolarHBondContact O-N 3.49Å; A179-G182 CarbonylContact O-C 3.6Å; A179-G182 WeakPolarHBondContact O-CA 3.48Å; A179-G182 PolarHBondContact O-N 2.93Å; L180-G182 PolarHBondContact O-N 2.93Å; G182-E442 WeakPolarHBondContact CA-O 3.43Å; G182-M445 VanDerWaalsContact O-CB 3.31Å; G182-M445 WeakPolarHBondContact O-CB 3.36Å; G182-M445 VanDerWaalsContact O-CG 3.27Å; G182-M445 WeakPolarHBondContact O-CG 3.45Å
183	G	98.5	Very high	98.2	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	14.7	-172.6	0	0	0	0	0	114.6	G152 A179 L180 V493	G152-G183 PolarHBondContact N-O 3.5Å; A179-G183 PolarHBondContact O-N 3.29Å; A179-G183 VanDerWaalsContact O-N 3.15Å; L180-G183 PolarHBondContact O-N 3.36Å; G183-V493 WeakPolarHBondContact O-CG2 3.48Å
184	T	98.9	Very high	97.9	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	121.6	169.1	-64.3	0	0	0	0	108.9	G152 D154 A179 L180 M186 I187 R444	G152-T184 CarbonylContact O-C 3.57Å; G152-T184 WeakPolarHBondContact O-CA 3.4Å; G152-T184 WeakPolarHBondContact O-CG2 3.25Å; D154-T184 HydrophobicContact CB-CG2 3.7Å; A179-T184 CarbonylContact C-O 3.53Å; A179-T184 HydrophobicContact CB-CG2 4.03Å; A179-T184 WeakPolarHBondContact O-CB 3.34Å; A179-T184 PolarHBondContact O-N 3.21Å; A179-T184 VanDerWaalsContact O-O 3.13Å; L180-T184 WeakPolarHBondContact CA-O 3.5Å; L180-T184 PolarHBondContact N-O 3.25Å; T184-M186 VanDerWaalsContact CG2-O 3.28Å; T184-M186 WeakPolarHBondContact CG2-O 3.47Å; T184-I187 HydrophobicContact CG2-CG2 4.47Å; T184-R444 PolarHBondContact OG1-NH2 2.92Å
185	T	98.9	Very high	97.4	Very high	2 Å²	2	12.5 Å²	12.5	1%	0.012	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	-6.4	-176.9	57.6	0	0	0	0	113.7	G151 G152 L180 C216 D217 D491 V529	G151-T185 VanDerWaalsContact CA-OG1 3.31Å; G151-T185 WeakPolarHBondContact CA-OG1 3.17Å; G152-T185 PolarHBondContact O-N 2.87Å; L180-T185 HydrophobicContact CD2-CG2 4.23Å; T185-C216 WeakPolarHBondContact O-CB 3.38Å; T185-D217 PolarHBondContact O-N 2.74Å; T185-D491 HydrophobicContact CG2-CB 4.34Å; T185-V529 HydrophobicContact CG2-CG1 3.7Å
186	M	98.9	Very high	96.8	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	142	169	-176.7	179.4	-178.7	0	0	111.7	G152 I153 D154 T184 I188 D217 S219 L477 K481 I552	G152-M186 PolarHBondContact O-N 2.8Å; I153-M186 WeakPolarHBondContact CA-O 3.3Å; I153-M186 HydrophobicContact CG1-CB 4.27Å; I153-M186 HydrophobicContact CG2-CB 4.34Å; I153-M186 HydrophobicContact CG2-CG 4.4Å; I153-M186 HydrophobicContact CG2-SD 4.45Å; D154-M186 PolarHBondContact N-O 3.19Å; T184-M186 VanDerWaalsContact CG2-O 3.28Å; T184-M186 WeakPolarHBondContact CG2-O 3.47Å; M186-I188 HydrophobicContact CE-CG1 4.42Å; M186-D217 VanDerWaalsContact CA-O 3.23Å; M186-D217 WeakPolarHBondContact CA-O 3.35Å; M186-D217 HydrophobicContact CG-CB 4.47Å; M186-D217 WeakPolarHBondContact CG-O 3.34Å; M186-S219 VanDerWaalsContact CE-CB 3.44Å; M186-L477 HydrophobicContact CE-CD1 3.79Å; M186-L477 HydrophobicContact CE-CD2 4.23Å; M186-L477 HydrophobicContact SD-CD1 3.71Å; M186-K481 HydrophobicContact CB-CD 4.17Å; M186-K481 HydrophobicContact CG-CD 4.36Å; M186-K481 HydrophobicContact SD-CD 3.42Å; M186-K481 WeakPolarHBondContact SD-CD 3.24Å; M186-K481 VanDerWaalsContact SD-CE 3.52Å; M186-I552 HydrophobicContact CE-CB 3.88Å; M186-I552 HydrophobicContact CE-CG1 4.09Å; M186-I552 HydrophobicContact CE-CG2 4.46Å
187	I	98.9	Very high	96.6	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	155.8	167.6	67.6	164.9	0	0	0	111.8	D154 T157 L159 F172 T176 A179 T184 D189 D217 Y218 S219 I441	D154-I187 CarbonylContact O-C 3.54Å; D154-I187 VanDerWaalsContact O-CA 3.25Å; D154-I187 WeakPolarHBondContact O-CA 3.34Å; T157-I187 HydrophobicContact CG2-CB 4.38Å; T157-I187 HydrophobicContact CG2-CG2 4.34Å; L159-I187 HydrophobicContact CD1-CD1 3.63Å; F172-I187 HydrophobicContact CD1-CD1 4.15Å; F172-I187 HydrophobicContact CE1-CD1 4.05Å; T176-I187 HydrophobicContact CG2-CD1 3.56Å; T176-I187 HydrophobicContact CG2-CG1 4.13Å; T176-I187 HydrophobicContact CG2-CG2 4.47Å; A179-I187 HydrophobicContact CB-CG2 4.31Å; T184-I187 HydrophobicContact CG2-CG2 4.47Å; I187-D189 HydrophobicContact CD1-CB 4.32Å; I187-D217 PolarHBondContact N-O 2.95Å; I187-Y218 CarbonylContact O-C 3.56Å; I187-Y218 WeakPolarHBondContact O-CA 3.33Å; I187-S219 PolarHBondContact O-N 2.85Å; I187-I441 HydrophobicContact CG2-CD1 4.04Å
188	I	98.9	Very high	96.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	116.1	156.8	-43.8	-176.8	0	0	0	107.8	D154 V155 T157 M186 S219 H221 F475	D154-I188 PolarHBondContact O-N 3Å; V155-I188 CarbonylContact C-O 3.56Å; V155-I188 HydrophobicContact CB-CD1 4.45Å; V155-I188 HydrophobicContact CG1-CD1 4Å; V155-I188 HydrophobicContact CG1-CG1 4.4Å; T157-I188 PolarHBondContact N-O 2.99Å; T157-I188 PolarHBondContact OG1-O 3.47Å; M186-I188 HydrophobicContact CE-CG1 4.42Å; I188-S219 VanDerWaalsContact CA-O 3.32Å; I188-S219 WeakPolarHBondContact CA-O 3.46Å; I188-H221 WeakPolarHBondContact CG2-NE2 3.32Å; I188-F475 HydrophobicContact CD1-CB 4.1Å; I188-F475 HydrophobicContact CD1-CD2 3.83Å; I188-F475 HydrophobicContact CD1-CE2 4.48Å; I188-F475 HydrophobicContact CD1-CG 3.95Å
189	D	98.9	Very high	96.5	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	147.3	-177.1	-162.9	84	0	0	0	110.9	T157 Y158 L159 F172 I187 W206 S219 L220 H221	T157-D189 WeakPolarHBondContact O-CA 3.21Å; T157-D189 VanDerWaalsContact OG1-CA 3.32Å; T157-D189 WeakPolarHBondContact OG1-CA 3.41Å; T157-D189 PolarHBondContact OG1-OD1 2.75Å; Y158-D189 WeakPolarHBondContact CA-OD1 3.48Å; Y158-D189 PolarHBondContact N-OD1 2.87Å; Y158-D189 VanDerWaalsContact N-OD1 3.17Å; L159-D189 WeakPolarHBondContact CB-OD1 3.23Å; L159-D189 PolarHBondContact N-OD1 3.42Å; F172-D189 HydrophobicContact CE1-CB 3.71Å; F172-D189 HydrophobicContact CZ-CB 3.86Å; F172-D189 WeakPolarHBondContact CZ-OD2 3.46Å; I187-D189 HydrophobicContact CD1-CB 4.32Å; D189-W206 PolarHBondContact OD2-NE1 2.6Å; D189-S219 PolarHBondContact N-O 2.77Å; D189-L220 HydrophobicContact CB-CD2 3.98Å; D189-L220 CarbonylContact O-C 3.5Å; D189-L220 WeakPolarHBondContact O-CA 3.26Å; D189-H221 PolarHBondContact O-N 2.96Å
190	H	98.7	Very high	96.4	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	114.8	177.2	-77.7	-96	0	0	0	111.4	T157 Y158 V192 W206 H221 D223 Q248	T157-H190 PolarHBondContact O-N 2.64Å; Y158-H190 HydrophobicContact CD1-CB 3.53Å; Y158-H190 HydrophobicContact CE1-CB 3.28Å; Y158-H190 AromaticContact CE1-CD2 3.74Å; Y158-H190 AromaticContact CE1-CG 3.47Å; Y158-H190 VanDerWaalsContact CE1-CG 3.47Å; Y158-H190 AromaticContact CE2-CD2 4Å; Y158-H190 HydrophobicContact CG-CB 4.45Å; Y158-H190 AromaticContact CZ-CD2 3.49Å; Y158-H190 VanDerWaalsContact CZ-CD2 3.49Å; Y158-H190 AromaticContact CZ-CG 3.67Å; Y158-H190 AromaticContact CZ-NE2 3.96Å; Y158-H190 PolarHBondContact OH-CD2 2.94Å; Y158-H190 PolarHBondContact OH-NE2 3Å; H190-V192 HydrophobicContact CB-CG2 4.08Å; H190-V192 PolarHBondContact O-N 2.9Å; H190-W206 PolarHBondContact O-NE1 3.03Å; H190-H221 AromaticContact CE1-CD2 3.95Å; H190-H221 AromaticContact NE2-CD2 3.79Å; H190-D223 IonicContact CE1-OD1 2.67Å; H190-D223 IonicContact CG-OD1 2.62Å; H190-D223 IonicContact ND1-OD1 3.7Å; H190-D223 PolarHBondContact ND1-OD1 3.38Å; H190-D223 IonicContact ND1-OD2 2.77Å; H190-D223 PolarHBondContact ND1-OD2 3.01Å; H190-Q248 PolarHBondContact CE1-NE2 2.86Å; H190-Q248 VanDerWaalsContact CE1-NE2 3.33Å; H190-Q248 PolarHBondContact ND1-NE2 3.23Å
191	V	98.6	Very high	96.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	115.2	160.5	-176.1	0	0	0	0	107.4	P193 S202 W206 L220 H221 V222 D223	V191-P193 WeakPolarHBondContact O-CD 3.43Å; V191-S202 VanDerWaalsContact CG1-C 3.47Å; V191-S202 WeakPolarHBondContact CG1-O 3.36Å; V191-W206 HydrophobicContact CB-CD2 4.42Å; V191-W206 HydrophobicContact CB-CG 4.23Å; V191-W206 HydrophobicContact CG1-CB 4.44Å; V191-W206 HydrophobicContact CG1-CD2 4.06Å; V191-W206 HydrophobicContact CG1-CE3 4.13Å; V191-W206 HydrophobicContact CG1-CG 4.21Å; V191-W206 HydrophobicContact CG2-CB 3.72Å; V191-W206 HydrophobicContact CG2-CD2 4.5Å; V191-W206 HydrophobicContact CG2-CG 3.82Å; V191-L220 HydrophobicContact CG2-CB 3.97Å; V191-L220 HydrophobicContact CG2-CD1 3.92Å; V191-L220 HydrophobicContact CG2-CD2 4.06Å; V191-L220 HydrophobicContact CG2-CG 4.2Å; V191-H221 WeakPolarHBondContact CB-O 3.08Å; V191-H221 WeakPolarHBondContact CG2-O 3.29Å; V191-H221 PolarHBondContact N-O 3.22Å; V191-V222 HydrophobicContact CB-CG2 4.12Å; V191-V222 HydrophobicContact CG2-CG2 4.12Å; V191-D223 VanDerWaalsContact O-CB 3.29Å; V191-D223 WeakPolarHBondContact O-CB 3.32Å; V191-D223 PolarHBondContact O-N 3.04Å
192	V	96.6	Very high	96.3	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	16%	0.16	C	C	.	.			trans	-114	93.6	179.8	-173	0	0	0	0	109.7	Y158 K161 H190 W206	Y158-V192 HydrophobicContact CD1-CG2 4.03Å; Y158-V192 HydrophobicContact CE1-CG2 4.05Å; K161-V192 HydrophobicContact CD-CG2 4.32Å; K161-V192 HydrophobicContact CG-CG2 4.35Å; H190-V192 HydrophobicContact CB-CG2 4.08Å; H190-V192 PolarHBondContact O-N 2.9Å; V192-W206 HydrophobicContact CB-CZ2 4.43Å; V192-W206 WeakPolarHBondContact O-CH2 3.43Å
193	P	94.6	Very high	96.3	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.006	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-61.4	139.9	175.9	-20.6	31.5	0	0	0	112	V191 L199 S202 D223 T225	V191-P193 WeakPolarHBondContact O-CD 3.43Å; P193-L199 HydrophobicContact CB-CD2 4.37Å; P193-L199 HydrophobicContact CG-CD2 3.65Å; P193-S202 WeakPolarHBondContact CB-OG 3.38Å; P193-D223 VanDerWaalsContact CD-O 3.27Å; P193-D223 WeakPolarHBondContact CD-O 3.29Å; P193-D223 WeakPolarHBondContact CG-O 3.33Å; P193-T225 WeakPolarHBondContact O-CG2 3.38Å
194	E	90.8	Very high	96.3	Very high	109 Å²	109	27.9 Å²	27.9	51%	0.509	18%	0.177	S	C	.	.	P	Polyproline II helix	trans	-69.2	141.7	166.5	-63.9	-176.7	149.1	0	0	109.5	P162 G196 S197	P162-E194 HydrophobicContact CG-CG 4.26Å; E194-G196 PolarHBondContact O-N 3.12Å; E194-S197 WeakPolarHBondContact O-CB 3.36Å; E194-S197 PolarHBondContact O-N 3.37Å; E194-S197 PolarHBondContact O-OG 3.5Å
195	P	86.7	Confident	96.3	Very high	77 Å²	77	33.1 Å²	33.1	50%	0.5	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	127.7	-177.5	-28.9	36	0	0	0	113	V256 Y257	P195-V256 HydrophobicContact CG-CG1 4.02Å; P195-Y257 HydrophobicContact CG-CD1 4.38Å; P195-Y257 HydrophobicContact CG-CE1 3.97Å
196	G	87.1	Confident	96.3	Very high	77 Å²	77	33.3 Å²	33.3	79%	0.794	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.1	-2.1	-174.9	0	0	0	0	0	115.7	E194	E194-G196 PolarHBondContact O-N 3.12Å
197	S	92.9	Very high	96.2	Very high	47 Å²	47	35.3 Å²	35.3	33%	0.329	21%	0.209	S	C	.	.	S	Bend	trans	-83.5	149.1	172.4	-56	0	0	0	0	112.2	E194	E194-S197 WeakPolarHBondContact O-CB 3.36Å; E194-S197 PolarHBondContact O-N 3.37Å; E194-S197 PolarHBondContact O-OG 3.5Å
198	S	96.1	Very high	96.2	Very high	39 Å²	39	41.8 Å²	41.8	27%	0.273	24%	0.24	S	C	.	.			trans	-60.8	137.4	169.2	154.6	0	0	0	0	111.3	L200 T201 S202 E234	S198-L200 PolarHBondContact OG-N 2.97Å; S198-T201 PolarHBondContact OG-N 2.92Å; S198-T201 PolarHBondContact OG-OG1 2.9Å; S198-S202 WeakPolarHBondContact O-CB 3.16Å; S198-S202 PolarHBondContact O-N 3.14Å; S198-S202 VanDerWaalsContact O-N 3.12Å; S198-S202 PolarHBondContact O-OG 3.44Å; S198-E234 WeakPolarHBondContact CB-OE2 3.49Å; S198-E234 PolarHBondContact OG-OE2 2.73Å
199	L	97.9	Very high	96.1	Very high	5 Å²	5	42.3 Å²	42.3	3%	0.026	24%	0.244	C	C	.	.	H	α-helix	trans	-64.1	-42.5	172.2	-57.7	-170.2	0	0	0	110.9	P193 S202 F203 V222 V231 E234 L235 L238	P193-L199 HydrophobicContact CB-CD2 4.37Å; P193-L199 HydrophobicContact CG-CD2 3.65Å; L199-S202 PolarHBondContact O-N 3.38Å; L199-F203 WeakPolarHBondContact O-CB 3.17Å; L199-F203 PolarHBondContact O-N 2.95Å; L199-V222 HydrophobicContact CB-CG1 4.22Å; L199-V222 HydrophobicContact CD1-CG1 4.42Å; L199-V222 HydrophobicContact CD2-CG1 4.38Å; L199-V231 HydrophobicContact CD1-CG2 3.48Å; L199-V231 VanDerWaalsContact CD1-CG2 3.48Å; L199-V231 HydrophobicContact CG-CG2 3.96Å; L199-E234 HydrophobicContact CB-CB 4.27Å; L199-E234 PolarHBondContact N-OE2 3.28Å; L199-L235 HydrophobicContact CD1-CD2 3.74Å; L199-L235 HydrophobicContact CD1-CG 4.05Å; L199-L238 HydrophobicContact CB-CD1 3.84Å; L199-L238 HydrophobicContact CD1-CD1 4.3Å
200	L	97.7	Very high	96.1	Very high	41 Å²	41	42.3 Å²	42.3	22%	0.215	24%	0.244	C	C	.	.	H	α-helix	trans	-63.4	-47.2	178.8	-72.7	169.8	0	0	0	112.1	S198 S202 F203 E204 E234 V237 L238 K242	S198-L200 PolarHBondContact OG-N 2.97Å; L200-S202 VanDerWaalsContact C-N 3.27Å; L200-S202 PolarHBondContact O-N 3.41Å; L200-F203 WeakPolarHBondContact O-CB 3.38Å; L200-F203 PolarHBondContact O-N 3.14Å; L200-E204 WeakPolarHBondContact O-CG 3.17Å; L200-E204 PolarHBondContact O-N 3.4Å; L200-E234 HydrophobicContact CD1-CB 4.18Å; L200-E234 HydrophobicContact CD1-CG 4.02Å; L200-E234 HydrophobicContact CG-CB 4.08Å; L200-E234 HydrophobicContact CG-CG 4.24Å; L200-E234 PolarHBondContact N-OE2 2.94Å; L200-V237 HydrophobicContact CD1-CB 4.18Å; L200-V237 HydrophobicContact CD1-CG1 4.09Å; L200-V237 HydrophobicContact CD2-CB 4Å; L200-V237 HydrophobicContact CD2-CG1 3.59Å; L200-L238 HydrophobicContact CD2-CD2 3.83Å; L200-L238 HydrophobicContact CD2-CG 3.74Å; L200-K242 HydrophobicContact CD2-CG 4.43Å
201	T	97.3	Very high	96.1	Very high	99 Å²	99	46 Å²	46	61%	0.607	26%	0.263	S	S	*	.	H	α-helix	trans	-63.7	-36.5	178	-59.5	0	0	0	0	111.4	S198 K205	S198-T201 PolarHBondContact OG-N 2.92Å; S198-T201 PolarHBondContact OG-OG1 2.9Å; T201-K205 PolarHBondContact O-N 3.26Å
202	S	97.8	Very high	96	Very high	11 Å²	11	49.9 Å²	49.9	8%	0.077	29%	0.288	C	S	.	.	H	α-helix	trans	-66.7	-41.9	174.6	-55	0	0	0	0	111.5	V191 P193 S198 L199 L200 K205 W206	V191-S202 VanDerWaalsContact CG1-C 3.47Å; V191-S202 WeakPolarHBondContact CG1-O 3.36Å; P193-S202 WeakPolarHBondContact CB-OG 3.38Å; S198-S202 WeakPolarHBondContact O-CB 3.16Å; S198-S202 PolarHBondContact O-N 3.14Å; S198-S202 VanDerWaalsContact O-N 3.12Å; S198-S202 PolarHBondContact O-OG 3.44Å; L199-S202 PolarHBondContact O-N 3.38Å; L200-S202 VanDerWaalsContact C-N 3.27Å; L200-S202 PolarHBondContact O-N 3.41Å; S202-K205 PolarHBondContact O-N 3.46Å; S202-W206 VanDerWaalsContact O-CE3 3.25Å; S202-W206 PolarHBondContact O-N 3.1Å
203	F	98.5	Very high	96.1	Very high	3 Å²	3	52.8 Å²	52.8	1%	0.013	30%	0.3	C	S	.	.	H	α-helix	trans	-59.3	-50	175.4	171.7	-87.3	0	0	0	111.7	L199 L200 K205 W206 H207 L220 V222 L238 K242 V244 F551	L199-F203 WeakPolarHBondContact O-CB 3.17Å; L199-F203 PolarHBondContact O-N 2.95Å; L200-F203 WeakPolarHBondContact O-CB 3.38Å; L200-F203 PolarHBondContact O-N 3.14Å; F203-K205 VanDerWaalsContact C-N 3.31Å; F203-K205 PolarHBondContact O-N 3.43Å; F203-W206 PolarHBondContact O-N 2.8Å; F203-H207 HydrophobicContact CE1-CB 4.08Å; F203-H207 HydrophobicContact CZ-CB 4.3Å; F203-H207 AromaticContact CZ-CD2 3.99Å; F203-H207 VanDerWaalsContact O-CB 3.32Å; F203-H207 WeakPolarHBondContact O-CB 3.46Å; F203-H207 PolarHBondContact O-N 2.86Å; F203-L220 HydrophobicContact CD2-CB 4.42Å; F203-L220 HydrophobicContact CD2-CD1 3.9Å; F203-L220 HydrophobicContact CE2-CB 4.13Å; F203-L220 HydrophobicContact CE2-CD1 3.65Å; F203-L220 HydrophobicContact CE2-CG 4.46Å; F203-L220 HydrophobicContact CZ-CD1 4.29Å; F203-V222 HydrophobicContact CD2-CG2 4.07Å; F203-L238 HydrophobicContact CB-CD2 3.73Å; F203-L238 HydrophobicContact CD1-CD2 4.28Å; F203-L238 HydrophobicContact CD2-CD2 3.87Å; F203-L238 HydrophobicContact CG-CD2 3.67Å; F203-K242 HydrophobicContact CD1-CB 4.34Å; F203-K242 HydrophobicContact CD1-CD 4.33Å; F203-K242 HydrophobicContact CD1-CG 4.24Å; F203-K242 HydrophobicContact CE1-CB 3.81Å; F203-K242 HydrophobicContact CE1-CD 3.9Å; F203-K242 HydrophobicContact CE1-CG 4.01Å; F203-K242 HydrophobicContact CE2-CB 4.33Å; F203-K242 HydrophobicContact CZ-CB 3.8Å; F203-V244 HydrophobicContact CD2-CG2 3.79Å; F203-V244 HydrophobicContact CE2-CG2 3.43Å; F203-V244 VanDerWaalsContact CE2-CG2 3.43Å; F203-V244 HydrophobicContact CZ-CG2 4.36Å; F203-F551 HydrophobicContact CE2-CE2 4.49Å; F203-F551 HydrophobicContact CE2-CZ 4.27Å; F203-F551 HydrophobicContact CZ-CE2 4.44Å; F203-F551 HydrophobicContact CZ-CZ 4.03Å
204	E	98.4	Very high	96.3	Very high	75 Å²	75	52.7 Å²	52.7	35%	0.35	30%	0.3	S	S	.	.	H	α-helix	trans	-60.1	-41.3	-179.3	-64.1	-56.5	151.9	0	0	111.8	L200 W206 H207 E208 K242	L200-E204 WeakPolarHBondContact O-CG 3.17Å; L200-E204 PolarHBondContact O-N 3.4Å; E204-W206 PolarHBondContact O-N 3.01Å; E204-H207 PolarHBondContact O-N 3.03Å; E204-E208 WeakPolarHBondContact O-CB 3.27Å; E204-E208 PolarHBondContact O-N 2.71Å; E204-K242 WeakPolarHBondContact OE1-CE 3.31Å; E204-K242 IonicContact OE1-NZ 3.1Å; E204-K242 PolarHBondContact OE1-NZ 3.02Å
205	K	97.7	Very high	96.6	Very high	110 Å²	110	47.5 Å²	47.5	48%	0.478	28%	0.275	S	S	.	.	H	α-helix	trans	-60.1	-42.8	176.8	175.6	-177	171.7	-171.1	0	112.7	T201 S202 F203 A209	T201-K205 PolarHBondContact O-N 3.26Å; S202-K205 PolarHBondContact O-N 3.46Å; F203-K205 VanDerWaalsContact C-N 3.31Å; F203-K205 PolarHBondContact O-N 3.43Å; K205-A209 VanDerWaalsContact O-CB 3.27Å; K205-A209 WeakPolarHBondContact O-CB 3.29Å; K205-A209 PolarHBondContact O-N 2.67Å
206	W	98.4	Very high	97.2	Very high	5 Å²	5	43.9 Å²	43.9	2%	0.019	25%	0.252	C	S	.	.	H	α-helix	trans	-71.7	-40.9	176.4	-98.5	-115.1	0	0	0	111.5	Q160 F172 D189 H190 V191 V192 S202 F203 E204 A209 A210 L220	Q160-W206 HydrophobicContact CB-CZ2 4.24Å; F172-W206 AromaticContact CZ-CD1 3.98Å; D189-W206 PolarHBondContact OD2-NE1 2.6Å; H190-W206 PolarHBondContact O-NE1 3.03Å; V191-W206 HydrophobicContact CB-CD2 4.42Å; V191-W206 HydrophobicContact CB-CG 4.23Å; V191-W206 HydrophobicContact CG1-CB 4.44Å; V191-W206 HydrophobicContact CG1-CD2 4.06Å; V191-W206 HydrophobicContact CG1-CE3 4.13Å; V191-W206 HydrophobicContact CG1-CG 4.21Å; V191-W206 HydrophobicContact CG2-CB 3.72Å; V191-W206 HydrophobicContact CG2-CD2 4.5Å; V191-W206 HydrophobicContact CG2-CG 3.82Å; V192-W206 HydrophobicContact CB-CZ2 4.43Å; V192-W206 WeakPolarHBondContact O-CH2 3.43Å; S202-W206 VanDerWaalsContact O-CE3 3.25Å; S202-W206 PolarHBondContact O-N 3.1Å; F203-W206 PolarHBondContact O-N 2.8Å; E204-W206 PolarHBondContact O-N 3.01Å; W206-A209 PolarHBondContact O-N 3.4Å; W206-A210 VanDerWaalsContact O-CB 3.26Å; W206-A210 WeakPolarHBondContact O-CB 3.12Å; W206-A210 PolarHBondContact O-N 3.32Å; W206-L220 HydrophobicContact CB-CD1 4.15Å; W206-L220 HydrophobicContact CB-CD2 4.42Å
207	H	98.3	Very high	97.8	Very high	43 Å²	43	40.2 Å²	40.2	20%	0.199	21%	0.214	C	C	.	.	H	α-helix	trans	-60.8	-51.1	177.6	-174.3	-91	0	0	0	110.8	F203 E204 A209 A210 D211 Y218 L220 F551	F203-H207 HydrophobicContact CE1-CB 4.08Å; F203-H207 HydrophobicContact CZ-CB 4.3Å; F203-H207 AromaticContact CZ-CD2 3.99Å; F203-H207 VanDerWaalsContact O-CB 3.32Å; F203-H207 WeakPolarHBondContact O-CB 3.46Å; F203-H207 PolarHBondContact O-N 2.86Å; E204-H207 PolarHBondContact O-N 3.03Å; H207-A209 PolarHBondContact O-N 3.05Å; H207-A210 PolarHBondContact O-N 3.25Å; H207-D211 VanDerWaalsContact O-CB 3.28Å; H207-D211 WeakPolarHBondContact O-CB 3.49Å; H207-D211 PolarHBondContact O-N 3.34Å; H207-Y218 PolarHBondContact O-OH 2.92Å; H207-L220 HydrophobicContact CB-CD1 4.14Å; H207-F551 AromaticContact CD2-CD1 3.99Å; H207-F551 AromaticContact CD2-CD2 3.75Å; H207-F551 AromaticContact CD2-CG 3.65Å; H207-F551 WeakPolarHBondContact NE2-CB 3.37Å; H207-F551 AromaticContact NE2-CD1 3.55Å; H207-F551 AromaticContact NE2-CG 3.39Å; H207-F551 WeakPolarHBondContact NE2-CG 3.49Å
208	E	97.9	Very high	98	Very high	136 Å²	136	38 Å²	38	64%	0.636	20%	0.198	S	C	*	.	H	α-helix	trans	-57.3	-45.1	174.6	-175.2	-173.9	179.2	0	0	112.3	E204 A210 T212	E204-E208 WeakPolarHBondContact O-CB 3.27Å; E204-E208 PolarHBondContact O-N 2.71Å; E208-A210 VanDerWaalsContact C-N 3.32Å; E208-A210 PolarHBondContact O-N 3.06Å; E208-T212 WeakPolarHBondContact O-CB 3.39Å; E208-T212 WeakPolarHBondContact O-CG2 3.41Å; E208-T212 PolarHBondContact O-N 3.41Å; E208-T212 VanDerWaalsContact O-N 3.13Å; E208-T212 PolarHBondContact O-OG1 2.83Å
209	A	97.8	Very high	98.2	Very high	11 Å²	11	36.1 Å²	36.1	9%	0.091	19%	0.185	C	C	.	.	H	α-helix	trans	-66.7	-32.6	179.9	0	0	0	0	0	113.1	F172 K205 W206 H207 T212 K213	F172-A209 HydrophobicContact CD2-CB 4.22Å; F172-A209 HydrophobicContact CE2-CB 4.43Å; K205-A209 VanDerWaalsContact O-CB 3.27Å; K205-A209 WeakPolarHBondContact O-CB 3.29Å; K205-A209 PolarHBondContact O-N 2.67Å; W206-A209 PolarHBondContact O-N 3.4Å; H207-A209 PolarHBondContact O-N 3.05Å; A209-T212 PolarHBondContact O-OG1 2.59Å; A209-K213 VanDerWaalsContact O-CB 3.25Å; A209-K213 WeakPolarHBondContact O-CB 3.32Å; A209-K213 WeakPolarHBondContact O-CD 3.32Å; A209-K213 VanDerWaalsContact O-CG 3.24Å; A209-K213 WeakPolarHBondContact O-CG 3.5Å
210	A	98.1	Very high	98.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-80.1	-44.7	176.9	0	0	0	0	0	111.9	F172 W206 H207 E208 T212 K213 S214 Y218	F172-A210 HydrophobicContact CD1-CB 3.67Å; F172-A210 HydrophobicContact CD2-CB 3.97Å; F172-A210 HydrophobicContact CE1-CB 3.68Å; F172-A210 HydrophobicContact CE2-CB 3.97Å; F172-A210 HydrophobicContact CG-CB 3.84Å; F172-A210 HydrophobicContact CZ-CB 3.84Å; W206-A210 VanDerWaalsContact O-CB 3.26Å; W206-A210 WeakPolarHBondContact O-CB 3.12Å; W206-A210 PolarHBondContact O-N 3.32Å; H207-A210 PolarHBondContact O-N 3.25Å; E208-A210 VanDerWaalsContact C-N 3.32Å; E208-A210 PolarHBondContact O-N 3.06Å; A210-T212 VanDerWaalsContact C-N 3.28Å; A210-T212 PolarHBondContact O-N 2.92Å; A210-K213 PolarHBondContact O-N 2.91Å; A210-K213 VanDerWaalsContact O-N 3.1Å; A210-S214 WeakPolarHBondContact O-CB 3.3Å; A210-S214 PolarHBondContact O-N 2.94Å; A210-Y218 HydrophobicContact CB-CD1 4.35Å; A210-Y218 HydrophobicContact CB-CD2 3.68Å; A210-Y218 HydrophobicContact CB-CE1 3.99Å; A210-Y218 HydrophobicContact CB-CE2 3.25Å; A210-Y218 HydrophobicContact CB-CG 4.22Å; A210-Y218 VanDerWaalsContact CB-CZ 3.42Å
211	D	98	Very high	98.3	Very high	76 Å²	76	33.9 Å²	33.9	41%	0.406	17%	0.174	S	C	.	.	H	α-helix	trans	-61.1	-37.7	-179.8	-148.1	58.9	0	0	0	111.8	H207 K213 Y218 G547	H207-D211 VanDerWaalsContact O-CB 3.28Å; H207-D211 WeakPolarHBondContact O-CB 3.49Å; H207-D211 PolarHBondContact O-N 3.34Å; D211-K213 VanDerWaalsContact C-N 3.35Å; D211-K213 PolarHBondContact O-N 3.04Å; D211-Y218 WeakPolarHBondContact CB-OH 3.26Å; D211-Y218 PolarHBondContact N-OH 2.82Å; D211-Y218 PolarHBondContact OD1-OH 3.5Å; D211-G547 WeakPolarHBondContact O-CA 3.4Å
212	T	97.8	Very high	98.3	Very high	83 Å²	83	29.2 Å²	29.2	51%	0.509	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-10	178.1	56.1	0	0	0	0	114.8	E208 A209 A210	E208-T212 WeakPolarHBondContact O-CB 3.39Å; E208-T212 WeakPolarHBondContact O-CG2 3.41Å; E208-T212 PolarHBondContact O-N 3.41Å; E208-T212 VanDerWaalsContact O-N 3.13Å; E208-T212 PolarHBondContact O-OG1 2.83Å; A209-T212 PolarHBondContact O-OG1 2.59Å; A210-T212 VanDerWaalsContact C-N 3.28Å; A210-T212 PolarHBondContact O-N 2.92Å
213	K	98.3	Very high	98.4	Very high	60 Å²	60	28.7 Å²	28.7	26%	0.261	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.7	-32.5	-168.8	-66	-175.4	179.4	-170.7	0	115.9	D171 F172 F173 A209 A210 D211	D171-K213 WeakPolarHBondContact OD2-CD 3.36Å; D171-K213 WeakPolarHBondContact OD2-CE 3.48Å; D171-K213 IonicContact OD2-NZ 3.1Å; D171-K213 PolarHBondContact OD2-NZ 2.8Å; F172-K213 HydrophobicContact CB-CB 3.77Å; F172-K213 HydrophobicContact CB-CD 4.32Å; F173-K213 WeakPolarHBondContact CA-O 3.32Å; F173-K213 HydrophobicContact CB-CB 4.11Å; A209-K213 VanDerWaalsContact O-CB 3.25Å; A209-K213 WeakPolarHBondContact O-CB 3.32Å; A209-K213 WeakPolarHBondContact O-CD 3.32Å; A209-K213 VanDerWaalsContact O-CG 3.24Å; A209-K213 WeakPolarHBondContact O-CG 3.5Å; A210-K213 PolarHBondContact O-N 2.91Å; A210-K213 VanDerWaalsContact O-N 3.1Å; D211-K213 VanDerWaalsContact C-N 3.35Å; D211-K213 PolarHBondContact O-N 3.04Å
214	S	98.3	Very high	98.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.14	C	C	.	.			trans	-59.5	140.4	-172.1	-171.1	0	0	0	0	111.9	T176 A210 C216 G547 M548 G549	T176-S214 WeakPolarHBondContact CG2-OG 3.43Å; A210-S214 WeakPolarHBondContact O-CB 3.3Å; A210-S214 PolarHBondContact O-N 2.94Å; S214-C216 PolarHBondContact OG-N 3.49Å; S214-C216 PolarHBondContact OG-O 3.34Å; S214-G547 CarbonylContact O-C 3.47Å; S214-G547 WeakPolarHBondContact O-CA 3.27Å; S214-G547 PolarHBondContact O-N 2.74Å; S214-G547 VanDerWaalsContact O-N 3.08Å; S214-M548 PolarHBondContact O-N 2.88Å; S214-G549 PolarHBondContact O-N 3.07Å
215	C	98.3	Very high	98.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.126	C	C	.	.	S	Bend	trans	-96.5	-17.5	174.1	-65.3	0	0	0	0	113.1	F173 T176 L180 V544 N545	F173-C215 WeakPolarHBondContact CD2-SG 3.46Å; F173-C215 VanDerWaalsContact CE2-SG 3.54Å; T176-C215 PolarHBondContact OG1-N 3.22Å; L180-C215 HydrophobicContact CD1-CB 3.8Å; C215-V544 HydrophobicContact CB-CB 3.91Å; C215-V544 HydrophobicContact CB-CG1 4.18Å; C215-V544 HydrophobicContact CB-CG2 4.06Å; C215-V544 VanDerWaalsContact SG-CG2 3.51Å; C215-N545 PolarHBondContact SG-O 3Å
216	C	98.4	Very high	98	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.119	C	C	.	.	S	Bend	trans	-128.4	166.1	-179.5	75.9	0	0	0	0	111	L180 T185 S214 G549	L180-C216 HydrophobicContact CD1-CB 4.06Å; L180-C216 HydrophobicContact CD2-CB 3.81Å; L180-C216 HydrophobicContact CG-CB 3.91Å; T185-C216 WeakPolarHBondContact O-CB 3.38Å; S214-C216 PolarHBondContact OG-N 3.49Å; S214-C216 PolarHBondContact OG-O 3.34Å; C216-G549 VanDerWaalsContact C-CA 3.41Å; C216-G549 WeakPolarHBondContact O-CA 3.44Å
217	D	98.9	Very high	97.8	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	146.2	175.7	-80.3	-3.1	0	0	0	110.7	T185 M186 I187 K481 Q532 R550 I552	T185-D217 PolarHBondContact O-N 2.74Å; M186-D217 VanDerWaalsContact CA-O 3.23Å; M186-D217 WeakPolarHBondContact CA-O 3.35Å; M186-D217 HydrophobicContact CG-CB 4.47Å; M186-D217 WeakPolarHBondContact CG-O 3.34Å; I187-D217 PolarHBondContact N-O 2.95Å; D217-K481 IonicContact OD2-NZ 2.74Å; D217-K481 PolarHBondContact OD2-NZ 3.43Å; D217-Q532 PolarHBondContact OD1-NE2 2.98Å; D217-R550 WeakPolarHBondContact CA-O 3.34Å; D217-R550 WeakPolarHBondContact OD1-CB 3.11Å; D217-R550 IonicContact OD1-CZ 3.75Å; D217-R550 PolarHBondContact OD1-N 3.35Å; D217-R550 VanDerWaalsContact OD1-N 3.16Å; D217-R550 IonicContact OD1-NE 2.81Å; D217-R550 PolarHBondContact OD1-NE 3.32Å; D217-R550 IonicContact OD1-NH2 2.95Å; D217-R550 IonicContact OD2-CZ 3.57Å; D217-R550 IonicContact OD2-NE 2.84Å; D217-R550 PolarHBondContact OD2-NE 2.85Å; D217-R550 IonicContact OD2-NH2 3.84Å; D217-R550 PolarHBondContact OD2-NH2 3.04Å; D217-I552 HydrophobicContact CB-CD1 4.09Å; D217-I552 HydrophobicContact CB-CG1 3.84Å; D217-I552 WeakPolarHBondContact OD2-CD1 3.36Å
218	Y	98.9	Very high	97.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	164.6	-176.8	76.8	-83.3	0	0	0	111.3	I187 H207 A210 D211 L220 R550 F551 I552	I187-Y218 CarbonylContact O-C 3.56Å; I187-Y218 WeakPolarHBondContact O-CA 3.33Å; H207-Y218 PolarHBondContact O-OH 2.92Å; A210-Y218 HydrophobicContact CB-CD1 4.35Å; A210-Y218 HydrophobicContact CB-CD2 3.68Å; A210-Y218 HydrophobicContact CB-CE1 3.99Å; A210-Y218 HydrophobicContact CB-CE2 3.25Å; A210-Y218 HydrophobicContact CB-CG 4.22Å; A210-Y218 VanDerWaalsContact CB-CZ 3.42Å; D211-Y218 WeakPolarHBondContact CB-OH 3.26Å; D211-Y218 PolarHBondContact N-OH 2.82Å; D211-Y218 PolarHBondContact OD1-OH 3.5Å; Y218-L220 HydrophobicContact CD2-CD2 4.49Å; Y218-L220 HydrophobicContact CD2-CG 4.49Å; Y218-L220 HydrophobicContact CE2-CG 4.42Å; Y218-R550 PolarHBondContact N-O 3.16Å; Y218-F551 HydrophobicContact CD2-CD2 4.13Å; Y218-F551 HydrophobicContact CE1-CB 4.07Å; Y218-F551 HydrophobicContact CE2-CB 4.17Å; Y218-F551 AromaticContact CE2-CD2 3.65Å; Y218-F551 HydrophobicContact CE2-CD2 3.65Å; Y218-F551 HydrophobicContact CE2-CG 4.37Å; Y218-F551 CarbonylContact O-C 3.55Å; Y218-F551 WeakPolarHBondContact O-CA 3.15Å; Y218-I552 PolarHBondContact O-N 3.21Å
219	S	98.9	Very high	97	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	175.8	168.5	-160.9	0	0	0	0	108.9	M186 I187 I188 D189 I552 R554	M186-S219 VanDerWaalsContact CE-CB 3.44Å; I187-S219 PolarHBondContact O-N 2.85Å; I188-S219 VanDerWaalsContact CA-O 3.32Å; I188-S219 WeakPolarHBondContact CA-O 3.46Å; D189-S219 PolarHBondContact N-O 2.77Å; S219-I552 WeakPolarHBondContact CB-O 3.32Å; S219-I552 PolarHBondContact OG-O 2.97Å; S219-R554 WeakPolarHBondContact OG-CG 3.22Å; S219-R554 PolarHBondContact OG-NH1 3.01Å
220	L	98.9	Very high	96.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	133.9	-170.1	-65.7	175.2	0	0	0	113	D189 V191 F203 W206 H207 Y218 F551 R554	D189-L220 HydrophobicContact CB-CD2 3.98Å; D189-L220 CarbonylContact O-C 3.5Å; D189-L220 WeakPolarHBondContact O-CA 3.26Å; V191-L220 HydrophobicContact CG2-CB 3.97Å; V191-L220 HydrophobicContact CG2-CD1 3.92Å; V191-L220 HydrophobicContact CG2-CD2 4.06Å; V191-L220 HydrophobicContact CG2-CG 4.2Å; F203-L220 HydrophobicContact CD2-CB 4.42Å; F203-L220 HydrophobicContact CD2-CD1 3.9Å; F203-L220 HydrophobicContact CE2-CB 4.13Å; F203-L220 HydrophobicContact CE2-CD1 3.65Å; F203-L220 HydrophobicContact CE2-CG 4.46Å; F203-L220 HydrophobicContact CZ-CD1 4.29Å; W206-L220 HydrophobicContact CB-CD1 4.15Å; W206-L220 HydrophobicContact CB-CD2 4.42Å; H207-L220 HydrophobicContact CB-CD1 4.14Å; Y218-L220 HydrophobicContact CD2-CD2 4.49Å; Y218-L220 HydrophobicContact CD2-CG 4.49Å; Y218-L220 HydrophobicContact CE2-CG 4.42Å; L220-F551 HydrophobicContact CB-CE2 4.43Å; L220-F551 HydrophobicContact CD1-CE2 4.46Å; L220-F551 HydrophobicContact CG-CE2 4.27Å; L220-R554 VanDerWaalsContact N-NH1 3.13Å; L220-R554 VanDerWaalsContact O-CZ 3.28Å; L220-R554 PolarHBondContact O-NH1 3.04Å; L220-R554 PolarHBondContact O-NH2 3.47Å
221	H	98.9	Very high	96.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	149.2	157.9	-66.4	-39.7	0	0	0	108.3	V155 I188 D189 H190 V191 S246 F475 R554	V155-H221 PolarHBondContact O-CD2 3.45Å; V155-H221 PolarHBondContact O-NE2 3.23Å; I188-H221 WeakPolarHBondContact CG2-NE2 3.32Å; D189-H221 PolarHBondContact O-N 2.96Å; H190-H221 AromaticContact CE1-CD2 3.95Å; H190-H221 AromaticContact NE2-CD2 3.79Å; V191-H221 WeakPolarHBondContact CB-O 3.08Å; V191-H221 WeakPolarHBondContact CG2-O 3.29Å; V191-H221 PolarHBondContact N-O 3.22Å; H221-S246 PolarHBondContact CE1-OG 2.8Å; H221-S246 VanDerWaalsContact ND1-CB 3.29Å; H221-S246 WeakPolarHBondContact ND1-CB 3.48Å; H221-S246 PolarHBondContact ND1-OG 2.79Å; H221-F475 AromaticContact CE1-CD1 3.8Å; H221-F475 AromaticContact CE1-CE1 3.44Å; H221-F475 VanDerWaalsContact CE1-CE1 3.44Å; H221-F475 WeakPolarHBondContact CE1-CE1 3.35Å; H221-F475 AromaticContact CE1-CZ 3.74Å; H221-F475 AromaticContact NE2-CZ 3.93Å; H221-R554 PolarHBondContact ND1-NH2 2.67Å
222	V	98.8	Very high	96.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	123.1	174.5	177.2	0	0	0	0	110.4	V191 L199 F203 L238 V244 S246 F247 Q248	V191-V222 HydrophobicContact CB-CG2 4.12Å; V191-V222 HydrophobicContact CG2-CG2 4.12Å; L199-V222 HydrophobicContact CB-CG1 4.22Å; L199-V222 HydrophobicContact CD1-CG1 4.42Å; L199-V222 HydrophobicContact CD2-CG1 4.38Å; F203-V222 HydrophobicContact CD2-CG2 4.07Å; V222-L238 HydrophobicContact CB-CD1 4.39Å; V222-L238 HydrophobicContact CG1-CD1 3.98Å; V222-L238 HydrophobicContact CG2-CD1 4.3Å; V222-L238 HydrophobicContact CG2-CD2 4.28Å; V222-V244 HydrophobicContact CB-CG1 4.41Å; V222-V244 HydrophobicContact CG2-CG1 3.99Å; V222-V244 HydrophobicContact CG2-CG2 4.21Å; V222-S246 PolarHBondContact N-O 3.47Å; V222-F247 HydrophobicContact CB-CD1 3.83Å; V222-F247 HydrophobicContact CB-CE1 3.96Å; V222-F247 HydrophobicContact CG1-CD1 4.36Å; V222-F247 HydrophobicContact CG1-CE1 4.5Å; V222-F247 WeakPolarHBondContact O-CA 3.48Å; V222-F247 WeakPolarHBondContact O-CB 3.26Å; V222-F247 WeakPolarHBondContact O-CD1 3.35Å; V222-Q248 PolarHBondContact O-N 2.6Å
223	D	98.5	Very high	96.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	128	-175.2	-70	22.1	0	0	0	110.3	H190 V191 P193 T225 Q248 Y250	H190-D223 IonicContact CE1-OD1 2.67Å; H190-D223 IonicContact CG-OD1 2.62Å; H190-D223 IonicContact ND1-OD1 3.7Å; H190-D223 PolarHBondContact ND1-OD1 3.38Å; H190-D223 IonicContact ND1-OD2 2.77Å; H190-D223 PolarHBondContact ND1-OD2 3.01Å; V191-D223 VanDerWaalsContact O-CB 3.29Å; V191-D223 WeakPolarHBondContact O-CB 3.32Å; V191-D223 PolarHBondContact O-N 3.04Å; P193-D223 VanDerWaalsContact CD-O 3.27Å; P193-D223 WeakPolarHBondContact CD-O 3.29Å; P193-D223 WeakPolarHBondContact CG-O 3.33Å; D223-T225 PolarHBondContact O-N 3.2Å; D223-Q248 HydrophobicContact CB-CB 4.42Å; D223-Q248 WeakPolarHBondContact OD1-CB 3.49Å; D223-Q248 PolarHBondContact OD2-NE2 3.06Å; D223-Y250 HydrophobicContact CB-CE2 4.09Å; D223-Y250 PolarHBondContact OD2-OH 3.34Å
224	I	97.8	Very high	96.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.135	C	C	.	.			trans	-93.2	95.2	-179.3	-52.6	175.6	0	0	0	107.6	S226 W227 L235 F247 Q248 V249 M259 L271	I224-S226 VanDerWaalsContact CG2-O 3.24Å; I224-S226 WeakPolarHBondContact CG2-O 3.43Å; I224-W227 HydrophobicContact CG2-CE3 4.32Å; I224-L235 HydrophobicContact CD1-CD1 4.06Å; I224-L235 HydrophobicContact CD1-CD2 3.9Å; I224-L235 HydrophobicContact CG1-CD2 4.23Å; I224-F247 HydrophobicContact CD1-CB 3.85Å; I224-F247 HydrophobicContact CD1-CG 4.36Å; I224-F247 HydrophobicContact CG1-CB 4.16Å; I224-F247 HydrophobicContact CG1-CD1 4.48Å; I224-Q248 PolarHBondContact N-O 3.38Å; I224-V249 HydrophobicContact CB-CG1 4.46Å; I224-V249 HydrophobicContact CD1-CG1 4.41Å; I224-M259 HydrophobicContact CB-CE 3.83Å; I224-M259 HydrophobicContact CG2-CE 3.46Å; I224-M259 VanDerWaalsContact CG2-CE 3.46Å; I224-M259 VanDerWaalsContact O-CE 3.26Å; I224-M259 WeakPolarHBondContact O-CE 3.3Å; I224-L271 HydrophobicContact CD1-CD1 3.91Å; I224-L271 HydrophobicContact CD1-CD2 4.26Å
225	T	94.5	Very high	96.4	Very high	6 Å²	6	26.9 Å²	26.9	4%	0.037	14%	0.135	C	C	.	.			trans	-83.4	-10.8	-176.4	52.3	0	0	0	0	113.9	P193 D223 Y257	P193-T225 WeakPolarHBondContact O-CG2 3.38Å; D223-T225 PolarHBondContact O-N 3.2Å; T225-Y257 HydrophobicContact CG2-CD1 3.38Å; T225-Y257 HydrophobicContact CG2-CE1 3.5Å; T225-Y257 VanDerWaalsContact CG2-CE1 3.5Å; T225-Y257 HydrophobicContact CG2-CG 4.2Å
226	S	93.7	Very high	96.4	Very high	48 Å²	48	30.5 Å²	30.5	34%	0.336	15%	0.152	S	C	.	.			trans	-154.4	152.6	169.6	63.3	0	0	0	0	111.1	I224	I224-S226 VanDerWaalsContact CG2-O 3.24Å; I224-S226 WeakPolarHBondContact CG2-O 3.43Å
227	W	94.8	Very high	96.4	Very high	18 Å²	18	32.7 Å²	32.7	7%	0.068	17%	0.166	C	C	.	.			trans	-119.3	117.5	179.2	-175.5	-98.7	0	0	0	111.4	I224 V231 R232 L235 M259 Q263 E266 A267 F270	I224-W227 HydrophobicContact CG2-CE3 4.32Å; W227-V231 HydrophobicContact CD2-CG1 4.26Å; W227-V231 HydrophobicContact CE3-CG1 3.6Å; W227-V231 HydrophobicContact CH2-CG1 4.27Å; W227-V231 HydrophobicContact CZ3-CG1 3.6Å; W227-R232 HydrophobicContact CH2-CG 4.11Å; W227-R232 HydrophobicContact CZ2-CG 4.39Å; W227-L235 HydrophobicContact CH2-CD1 4.43Å; W227-L235 HydrophobicContact CZ3-CD1 3.81Å; W227-M259 HydrophobicContact CB-CE 4.14Å; W227-M259 HydrophobicContact CB-SD 4.3Å; W227-Q263 HydrophobicContact CB-CB 4.11Å; W227-Q263 HydrophobicContact CB-CG 4.23Å; W227-Q263 HydrophobicContact CG-CB 4.25Å; W227-Q263 HydrophobicContact CG-CG 4.45Å; W227-Q263 PolarHBondContact O-NE2 3.17Å; W227-E266 HydrophobicContact CZ2-CB 4.08Å; W227-E266 PolarHBondContact NE1-OE2 3.29Å; W227-A267 HydrophobicContact CD2-CB 3.9Å; W227-A267 HydrophobicContact CE3-CB 3.66Å; W227-A267 HydrophobicContact CH2-CB 4.17Å; W227-A267 HydrophobicContact CZ2-CB 4.34Å; W227-A267 HydrophobicContact CZ3-CB 3.81Å; W227-F270 HydrophobicContact CH2-CB 3.76Å; W227-F270 AromaticContact CH2-CD1 3.86Å; W227-F270 HydrophobicContact CH2-CD1 3.86Å; W227-F270 AromaticContact CH2-CG 3.99Å; W227-F270 HydrophobicContact CH2-CG 3.99Å; W227-F270 HydrophobicContact CZ2-CB 4.21Å
228	Y	92.3	Very high	96.4	Very high	106 Å²	106	32.7 Å²	32.7	42%	0.416	17%	0.166	S	C	.	.			trans	-152.4	159.5	178.2	61.2	-85.5	0	0	0	109.1	G230 V231	Y228-G230 VanDerWaalsContact C-N 3.32Å; Y228-G230 PolarHBondContact O-N 3.15Å; Y228-G230 VanDerWaalsContact O-N 3.17Å; Y228-V231 HydrophobicContact CD1-CB 4.39Å; Y228-V231 HydrophobicContact CE1-CB 4.09Å; Y228-V231 HydrophobicContact CE1-CG2 4.38Å; Y228-V231 HydrophobicContact CE2-CB 4.34Å; Y228-V231 WeakPolarHBondContact O-CB 3.39Å; Y228-V231 WeakPolarHBondContact O-CG1 3.43Å; Y228-V231 PolarHBondContact O-N 2.92Å
229	D	88.1	Confident	96.4	Very high	112 Å²	112	33.5 Å²	33.5	60%	0.599	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-39.7	-169.8	-74.6	-47.4	0	0	0	114.5	V231 R232	D229-V231 PolarHBondContact O-N 3.22Å; D229-R232 WeakPolarHBondContact O-CB 3.48Å; D229-R232 WeakPolarHBondContact O-CG 3.4Å; D229-R232 PolarHBondContact O-N 2.93Å; D229-R232 IonicContact OD1-CZ 3.69Å; D229-R232 IonicContact OD1-NE 2.65Å; D229-R232 IonicContact OD1-NH1 3.56Å; D229-R232 PolarHBondContact OD1-NH1 3.25Å; D229-R232 VanDerWaalsContact OD1-NH1 3.1Å; D229-R232 IonicContact OD1-NH2 2.9Å; D229-R232 PolarHBondContact OD1-NH2 3.1Å
230	G	89.7	Confident	96.3	Very high	30 Å²	30	40 Å²	40	31%	0.309	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-17.7	179.9	0	0	0	0	0	115.3	Y228 R232	Y228-G230 VanDerWaalsContact C-N 3.32Å; Y228-G230 PolarHBondContact O-N 3.15Å; Y228-G230 VanDerWaalsContact O-N 3.17Å; G230-R232 PolarHBondContact O-N 2.87Å
231	V	95.5	Very high	96.3	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.006	23%	0.231	C	C	.	.	H	α-helix	trans	-66.7	-22.2	176.7	87	0	0	0	0	112	L199 W227 Y228 D229 E233 E234 L235	L199-V231 HydrophobicContact CD1-CG2 3.48Å; L199-V231 VanDerWaalsContact CD1-CG2 3.48Å; L199-V231 HydrophobicContact CG-CG2 3.96Å; W227-V231 HydrophobicContact CD2-CG1 4.26Å; W227-V231 HydrophobicContact CE3-CG1 3.6Å; W227-V231 HydrophobicContact CH2-CG1 4.27Å; W227-V231 HydrophobicContact CZ3-CG1 3.6Å; Y228-V231 HydrophobicContact CD1-CB 4.39Å; Y228-V231 HydrophobicContact CE1-CB 4.09Å; Y228-V231 HydrophobicContact CE1-CG2 4.38Å; Y228-V231 HydrophobicContact CE2-CB 4.34Å; Y228-V231 WeakPolarHBondContact O-CB 3.39Å; Y228-V231 WeakPolarHBondContact O-CG1 3.43Å; Y228-V231 PolarHBondContact O-N 2.92Å; D229-V231 PolarHBondContact O-N 3.22Å; V231-E233 PolarHBondContact O-N 3.19Å; V231-E234 PolarHBondContact O-N 3.05Å; V231-L235 HydrophobicContact CG1-CD1 4.09Å; V231-L235 VanDerWaalsContact O-CG 3.27Å; V231-L235 WeakPolarHBondContact O-CG 3.35Å; V231-L235 PolarHBondContact O-N 3.18Å
232	R	96.8	Very high	96.2	Very high	75 Å²	75	48.8 Å²	48.8	28%	0.283	25%	0.245	S	C	.	.	H	α-helix	trans	-64.6	-39.5	-175.9	-67.6	-178	-171.7	153.3	14.6	112.6	W227 D229 G230 L235 E236 E266 F270	W227-R232 HydrophobicContact CH2-CG 4.11Å; W227-R232 HydrophobicContact CZ2-CG 4.39Å; D229-R232 WeakPolarHBondContact O-CB 3.48Å; D229-R232 WeakPolarHBondContact O-CG 3.4Å; D229-R232 PolarHBondContact O-N 2.93Å; D229-R232 IonicContact OD1-CZ 3.69Å; D229-R232 IonicContact OD1-NE 2.65Å; D229-R232 IonicContact OD1-NH1 3.56Å; D229-R232 PolarHBondContact OD1-NH1 3.25Å; D229-R232 VanDerWaalsContact OD1-NH1 3.1Å; D229-R232 IonicContact OD1-NH2 2.9Å; D229-R232 PolarHBondContact OD1-NH2 3.1Å; G230-R232 PolarHBondContact O-N 2.87Å; R232-L235 PolarHBondContact O-N 2.97Å; R232-E236 PolarHBondContact O-N 2.76Å; R232-E266 IonicContact NH2-OE2 3.96Å; R232-F270 HydrophobicContact CB-CD1 4.48Å; R232-F270 HydrophobicContact CB-CE1 3.77Å; R232-F270 HydrophobicContact CB-CE2 3.88Å; R232-F270 HydrophobicContact CB-CZ 3.44Å; R232-F270 VanDerWaalsContact CB-CZ 3.44Å; R232-F270 HydrophobicContact CG-CD1 4.08Å; R232-F270 HydrophobicContact CG-CD2 4.12Å; R232-F270 HydrophobicContact CG-CE1 3.87Å; R232-F270 HydrophobicContact CG-CE2 3.93Å; R232-F270 HydrophobicContact CG-CG 4.2Å; R232-F270 HydrophobicContact CG-CZ 3.81Å
233	E	96.9	Very high	96.2	Very high	142 Å²	142	49.3 Å²	49.3	66%	0.664	25%	0.25	S	S	*	.	H	α-helix	trans	-66.8	-42.3	178.9	-64.6	166.7	-174.5	0	0	110.7	V231 L235 E236 V237	V231-E233 PolarHBondContact O-N 3.19Å; E233-L235 PolarHBondContact O-N 2.81Å; E233-E236 PolarHBondContact O-N 3.11Å; E233-V237 WeakPolarHBondContact O-CG2 3.32Å; E233-V237 PolarHBondContact O-N 2.89Å; E233-V237 VanDerWaalsContact O-N 3.16Å
234	E	98	Very high	96.2	Very high	26 Å²	26	49.3 Å²	49.3	12%	0.121	25%	0.25	C	S	.	.	H	α-helix	trans	-63.5	-41.4	174.9	-62.9	-162.9	-107.2	0	0	112.2	S198 L199 L200 V231 E236 V237 L238	S198-E234 WeakPolarHBondContact CB-OE2 3.49Å; S198-E234 PolarHBondContact OG-OE2 2.73Å; L199-E234 HydrophobicContact CB-CB 4.27Å; L199-E234 PolarHBondContact N-OE2 3.28Å; L200-E234 HydrophobicContact CD1-CB 4.18Å; L200-E234 HydrophobicContact CD1-CG 4.02Å; L200-E234 HydrophobicContact CG-CB 4.08Å; L200-E234 HydrophobicContact CG-CG 4.24Å; L200-E234 PolarHBondContact N-OE2 2.94Å; V231-E234 PolarHBondContact O-N 3.05Å; E234-E236 VanDerWaalsContact C-N 3.35Å; E234-V237 PolarHBondContact O-N 3.3Å; E234-L238 WeakPolarHBondContact O-CB 3.3Å; E234-L238 VanDerWaalsContact O-CG 3.25Å; E234-L238 WeakPolarHBondContact O-CG 3.39Å; E234-L238 PolarHBondContact O-N 2.85Å
235	L	98.5	Very high	96.2	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-64.1	-37.2	176.3	-70.5	170.5	0	0	0	112.4	L199 I224 W227 V231 R232 E233 L238 V239 F247 F270 L271 L274	L199-L235 HydrophobicContact CD1-CD2 3.74Å; L199-L235 HydrophobicContact CD1-CG 4.05Å; I224-L235 HydrophobicContact CD1-CD1 4.06Å; I224-L235 HydrophobicContact CD1-CD2 3.9Å; I224-L235 HydrophobicContact CG1-CD2 4.23Å; W227-L235 HydrophobicContact CH2-CD1 4.43Å; W227-L235 HydrophobicContact CZ3-CD1 3.81Å; V231-L235 HydrophobicContact CG1-CD1 4.09Å; V231-L235 VanDerWaalsContact O-CG 3.27Å; V231-L235 WeakPolarHBondContact O-CG 3.35Å; V231-L235 PolarHBondContact O-N 3.18Å; R232-L235 PolarHBondContact O-N 2.97Å; E233-L235 PolarHBondContact O-N 2.81Å; L235-L238 PolarHBondContact O-N 3.08Å; L235-V239 WeakPolarHBondContact O-CG2 3.35Å; L235-V239 PolarHBondContact O-N 2.96Å; L235-V239 VanDerWaalsContact O-N 3.07Å; L235-F247 HydrophobicContact CD2-CD1 3.39Å; L235-F247 HydrophobicContact CD2-CE1 3.31Å; L235-F247 HydrophobicContact CD2-CE2 4.46Å; L235-F247 HydrophobicContact CD2-CG 4.03Å; L235-F247 HydrophobicContact CD2-CZ 3.9Å; L235-F270 HydrophobicContact CB-CE1 3.97Å; L235-F270 HydrophobicContact CD1-CD1 4.04Å; L235-F270 HydrophobicContact CD1-CE1 4Å; L235-L271 HydrophobicContact CD1-CD2 4.14Å; L235-L271 HydrophobicContact CD2-CD2 4.29Å; L235-L274 HydrophobicContact CB-CD1 3.94Å
236	E	98.3	Very high	96.4	Very high	76 Å²	76	49 Å²	49	36%	0.355	25%	0.248	S	C	.	.	H	α-helix	trans	-63.1	-46.9	174.6	-81.7	175.4	-171.8	0	0	111.8	R232 E233 E234 V239 Q240 F270 L274	R232-E236 PolarHBondContact O-N 2.76Å; E233-E236 PolarHBondContact O-N 3.11Å; E234-E236 VanDerWaalsContact C-N 3.35Å; E236-V239 PolarHBondContact O-N 2.78Å; E236-Q240 WeakPolarHBondContact O-CB 3.2Å; E236-Q240 VanDerWaalsContact O-CG 3.29Å; E236-Q240 WeakPolarHBondContact O-CG 3.36Å; E236-Q240 PolarHBondContact O-N 3.36Å; E236-F270 HydrophobicContact CG-CZ 4.07Å; E236-L274 HydrophobicContact CG-CD1 4.32Å; E236-L274 HydrophobicContact CG-CD2 3.65Å
237	V	98.4	Very high	96.7	Very high	47 Å²	47	46.8 Å²	46.8	29%	0.285	23%	0.232	S	C	.	.	H	α-helix	trans	-63.2	-41.8	176	175	0	0	0	0	111.4	L200 E233 E234 V239 Q240 D241 K242	L200-V237 HydrophobicContact CD1-CB 4.18Å; L200-V237 HydrophobicContact CD1-CG1 4.09Å; L200-V237 HydrophobicContact CD2-CB 4Å; L200-V237 HydrophobicContact CD2-CG1 3.59Å; E233-V237 WeakPolarHBondContact O-CG2 3.32Å; E233-V237 PolarHBondContact O-N 2.89Å; E233-V237 VanDerWaalsContact O-N 3.16Å; E234-V237 PolarHBondContact O-N 3.3Å; V237-V239 VanDerWaalsContact C-N 3.28Å; V237-V239 PolarHBondContact O-N 2.8Å; V237-Q240 PolarHBondContact O-N 3.48Å; V237-D241 HydrophobicContact CG1-CB 4.29Å; V237-D241 WeakPolarHBondContact O-CB 3.41Å; V237-D241 PolarHBondContact O-N 3Å; V237-K242 PolarHBondContact O-N 3.2Å
238	L	98.8	Very high	96.9	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-59.6	-38.7	176.6	-76.1	167.4	0	0	0	112.3	L199 L200 F203 V222 E234 L235 K242 G243 V244 F247	L199-L238 HydrophobicContact CB-CD1 3.84Å; L199-L238 HydrophobicContact CD1-CD1 4.3Å; L200-L238 HydrophobicContact CD2-CD2 3.83Å; L200-L238 HydrophobicContact CD2-CG 3.74Å; F203-L238 HydrophobicContact CB-CD2 3.73Å; F203-L238 HydrophobicContact CD1-CD2 4.28Å; F203-L238 HydrophobicContact CD2-CD2 3.87Å; F203-L238 HydrophobicContact CG-CD2 3.67Å; V222-L238 HydrophobicContact CB-CD1 4.39Å; V222-L238 HydrophobicContact CG1-CD1 3.98Å; V222-L238 HydrophobicContact CG2-CD1 4.3Å; V222-L238 HydrophobicContact CG2-CD2 4.28Å; E234-L238 WeakPolarHBondContact O-CB 3.3Å; E234-L238 VanDerWaalsContact O-CG 3.25Å; E234-L238 WeakPolarHBondContact O-CG 3.39Å; E234-L238 PolarHBondContact O-N 2.85Å; L235-L238 PolarHBondContact O-N 3.08Å; L238-K242 HydrophobicContact CD2-CB 4.23Å; L238-K242 HydrophobicContact CD2-CG 4.21Å; L238-K242 CarbonylContact O-C 3.58Å; L238-G243 PolarHBondContact O-N 3.22Å; L238-V244 HydrophobicContact CB-CB 4.31Å; L238-V244 HydrophobicContact CD2-CG2 4.3Å; L238-V244 PolarHBondContact O-N 3.48Å; L238-F247 HydrophobicContact CB-CE1 4.15Å; L238-F247 HydrophobicContact CB-CZ 4.11Å; L238-F247 HydrophobicContact CD1-CE1 4.01Å
239	V	98.6	Very high	97.2	Very high	17 Å²	17	40.9 Å²	40.9	10%	0.103	21%	0.209	C	C	.	.	H	α-helix	trans	-75.9	-46.6	178.1	170.7	0	0	0	0	112.8	L235 E236 V237 V244 F247 L274 A556	L235-V239 WeakPolarHBondContact O-CG2 3.35Å; L235-V239 PolarHBondContact O-N 2.96Å; L235-V239 VanDerWaalsContact O-N 3.07Å; E236-V239 PolarHBondContact O-N 2.78Å; V237-V239 VanDerWaalsContact C-N 3.28Å; V237-V239 PolarHBondContact O-N 2.8Å; V239-V244 WeakPolarHBondContact CA-O 3.32Å; V239-V244 WeakPolarHBondContact CG2-O 3.45Å; V239-F247 HydrophobicContact CG2-CE2 3.69Å; V239-F247 HydrophobicContact CG2-CZ 3.75Å; V239-L274 HydrophobicContact CG2-CB 4.17Å; V239-L274 HydrophobicContact CG2-CD1 4.01Å; V239-A556 HydrophobicContact CG1-CB 3.7Å
240	Q	97.3	Very high	97.7	Very high	136 Å²	136	35.8 Å²	35.8	64%	0.636	18%	0.182	S	C	*	.	H	α-helix	trans	-80	-45.5	-171.1	-66.2	177.4	49.1	0	0	112.1	E236 V237	E236-Q240 WeakPolarHBondContact O-CB 3.2Å; E236-Q240 VanDerWaalsContact O-CG 3.29Å; E236-Q240 WeakPolarHBondContact O-CG 3.36Å; E236-Q240 PolarHBondContact O-N 3.36Å; V237-Q240 PolarHBondContact O-N 3.48Å
241	D	97.9	Very high	98.1	Very high	118 Å²	118	34.4 Å²	34.4	63%	0.631	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.5	-30.8	-168	-57.5	-32.3	0	0	0	113.1	V237	V237-D241 HydrophobicContact CG1-CB 4.29Å; V237-D241 WeakPolarHBondContact O-CB 3.41Å; V237-D241 PolarHBondContact O-N 3Å
242	K	98.3	Very high	98.2	Very high	67 Å²	67	34.3 Å²	34.3	29%	0.291	17%	0.167	S	C	.	.	S	Bend	trans	-99.5	-6.4	-176.3	-50.4	-61.6	177.8	166.3	0	114.4	L200 F203 E204 V237 L238 V244 F551	L200-K242 HydrophobicContact CD2-CG 4.43Å; F203-K242 HydrophobicContact CD1-CB 4.34Å; F203-K242 HydrophobicContact CD1-CD 4.33Å; F203-K242 HydrophobicContact CD1-CG 4.24Å; F203-K242 HydrophobicContact CE1-CB 3.81Å; F203-K242 HydrophobicContact CE1-CD 3.9Å; F203-K242 HydrophobicContact CE1-CG 4.01Å; F203-K242 HydrophobicContact CE2-CB 4.33Å; F203-K242 HydrophobicContact CZ-CB 3.8Å; E204-K242 WeakPolarHBondContact OE1-CE 3.31Å; E204-K242 IonicContact OE1-NZ 3.1Å; E204-K242 PolarHBondContact OE1-NZ 3.02Å; V237-K242 PolarHBondContact O-N 3.2Å; L238-K242 HydrophobicContact CD2-CB 4.23Å; L238-K242 HydrophobicContact CD2-CG 4.21Å; L238-K242 CarbonylContact O-C 3.58Å; K242-V244 VanDerWaalsContact C-N 3.33Å; K242-V244 PolarHBondContact O-N 2.85Å; K242-F551 WeakPolarHBondContact O-CE1 3.48Å; K242-F551 WeakPolarHBondContact O-CZ 3.43Å
243	G	97.8	Very high	98.2	Very high	11 Å²	11	33.1 Å²	33.1	11%	0.113	16%	0.163	C	C	.	.			trans	65.8	32.2	177	0	0	0	0	0	114.1	L238 R554	L238-G243 PolarHBondContact O-N 3.22Å; G243-R554 CarbonylContact C-O 3.57Å; G243-R554 PolarHBondContact O-N 3.22Å; G243-R554 VanDerWaalsContact O-O 3.13Å
244	V	98.7	Very high	98.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.146	C	C	.	.			trans	-94	119.4	171.1	177.8	0	0	0	0	108.7	F203 V222 L238 V239 K242 S246 F247	F203-V244 HydrophobicContact CD2-CG2 3.79Å; F203-V244 HydrophobicContact CE2-CG2 3.43Å; F203-V244 VanDerWaalsContact CE2-CG2 3.43Å; F203-V244 HydrophobicContact CZ-CG2 4.36Å; V222-V244 HydrophobicContact CB-CG1 4.41Å; V222-V244 HydrophobicContact CG2-CG1 3.99Å; V222-V244 HydrophobicContact CG2-CG2 4.21Å; L238-V244 HydrophobicContact CB-CB 4.31Å; L238-V244 HydrophobicContact CD2-CG2 4.3Å; L238-V244 PolarHBondContact O-N 3.48Å; V239-V244 WeakPolarHBondContact CA-O 3.32Å; V239-V244 WeakPolarHBondContact CG2-O 3.45Å; K242-V244 VanDerWaalsContact C-N 3.33Å; K242-V244 PolarHBondContact O-N 2.85Å; V244-S246 WeakPolarHBondContact CG1-O 3.48Å; V244-F247 HydrophobicContact CB-CZ 4.32Å; V244-F247 HydrophobicContact CG1-CD1 4.47Å; V244-F247 HydrophobicContact CG1-CE1 3.81Å; V244-F247 HydrophobicContact CG1-CE2 4.37Å; V244-F247 HydrophobicContact CG1-CZ 3.75Å
245	N	98.3	Very high	97.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.179	C	C	.	.			trans	-112.6	16.4	177.3	72.6	-1.2	0	0	0	113.8	A276 V277 F475 R554 K555	N245-A276 CarbonylContact O-C 3.16Å; N245-A276 WeakPolarHBondContact O-CA 3.38Å; N245-V277 PolarHBondContact O-N 2.92Å; N245-F475 PolarHBondContact ND2-O 3.3Å; N245-R554 HydrophobicContact CB-CB 4.3Å; N245-R554 VanDerWaalsContact CG-CB 3.5Å; N245-R554 WeakPolarHBondContact ND2-CB 3.39Å; N245-R554 PolarHBondContact OD1-NE 2.88Å; N245-R554 PolarHBondContact OD1-NH2 3.26Å; N245-K555 PolarHBondContact ND2-O 3.38Å
246	S	98.8	Very high	97.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	137.3	-176.1	-4.4	0	0	0	0	112.5	H221 V222 V244 V277 L279 F475 R554	H221-S246 PolarHBondContact CE1-OG 2.8Å; H221-S246 VanDerWaalsContact ND1-CB 3.29Å; H221-S246 WeakPolarHBondContact ND1-CB 3.48Å; H221-S246 PolarHBondContact ND1-OG 2.79Å; V222-S246 PolarHBondContact N-O 3.47Å; V244-S246 WeakPolarHBondContact CG1-O 3.48Å; S246-V277 VanDerWaalsContact CA-O 3.26Å; S246-V277 WeakPolarHBondContact CA-O 3.06Å; S246-L279 VanDerWaalsContact CB-CD1 3.44Å; S246-F475 WeakPolarHBondContact OG-CD1 3.19Å; S246-R554 PolarHBondContact OG-NH2 2.59Å
247	F	98.9	Very high	97.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	135.7	-174.2	-57.3	-87.3	0	0	0	110.6	V222 I224 L235 L238 V239 V244 L271 A276 V277 L279	V222-F247 HydrophobicContact CB-CD1 3.83Å; V222-F247 HydrophobicContact CB-CE1 3.96Å; V222-F247 HydrophobicContact CG1-CD1 4.36Å; V222-F247 HydrophobicContact CG1-CE1 4.5Å; V222-F247 WeakPolarHBondContact O-CA 3.48Å; V222-F247 WeakPolarHBondContact O-CB 3.26Å; V222-F247 WeakPolarHBondContact O-CD1 3.35Å; I224-F247 HydrophobicContact CD1-CB 3.85Å; I224-F247 HydrophobicContact CD1-CG 4.36Å; I224-F247 HydrophobicContact CG1-CB 4.16Å; I224-F247 HydrophobicContact CG1-CD1 4.48Å; L235-F247 HydrophobicContact CD2-CD1 3.39Å; L235-F247 HydrophobicContact CD2-CE1 3.31Å; L235-F247 HydrophobicContact CD2-CE2 4.46Å; L235-F247 HydrophobicContact CD2-CG 4.03Å; L235-F247 HydrophobicContact CD2-CZ 3.9Å; L238-F247 HydrophobicContact CB-CE1 4.15Å; L238-F247 HydrophobicContact CB-CZ 4.11Å; L238-F247 HydrophobicContact CD1-CE1 4.01Å; V239-F247 HydrophobicContact CG2-CE2 3.69Å; V239-F247 HydrophobicContact CG2-CZ 3.75Å; V244-F247 HydrophobicContact CB-CZ 4.32Å; V244-F247 HydrophobicContact CG1-CD1 4.47Å; V244-F247 HydrophobicContact CG1-CE1 3.81Å; V244-F247 HydrophobicContact CG1-CE2 4.37Å; V244-F247 HydrophobicContact CG1-CZ 3.75Å; F247-L271 HydrophobicContact CB-CD1 4.12Å; F247-L271 HydrophobicContact CB-CD2 4.2Å; F247-L271 HydrophobicContact CD2-CD2 3.52Å; F247-L271 HydrophobicContact CE2-CD2 4.09Å; F247-L271 HydrophobicContact CG-CD2 3.9Å; F247-A276 HydrophobicContact CD2-CB 3.73Å; F247-A276 HydrophobicContact CE2-CB 3.81Å; F247-V277 PolarHBondContact N-O 2.81Å; F247-V277 VanDerWaalsContact N-O 3.11Å; F247-L279 PolarHBondContact O-N 2.91Å
248	Q	98.8	Very high	97.5	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	137.3	175.8	-177.1	159	-104.7	0	0	111.3	Y158 H190 V222 D223 I224 Y250 L279 T336	Y158-Q248 PolarHBondContact OH-NE2 3.11Å; H190-Q248 PolarHBondContact CE1-NE2 2.86Å; H190-Q248 VanDerWaalsContact CE1-NE2 3.33Å; H190-Q248 PolarHBondContact ND1-NE2 3.23Å; V222-Q248 PolarHBondContact O-N 2.6Å; D223-Q248 HydrophobicContact CB-CB 4.42Å; D223-Q248 WeakPolarHBondContact OD1-CB 3.49Å; D223-Q248 PolarHBondContact OD2-NE2 3.06Å; I224-Q248 PolarHBondContact N-O 3.38Å; Q248-Y250 HydrophobicContact CG-CE2 4.38Å; Q248-Y250 PolarHBondContact NE2-OH 3.35Å; Q248-L279 WeakPolarHBondContact CA-O 3.09Å; Q248-L279 HydrophobicContact CB-CB 3.91Å; Q248-L279 HydrophobicContact CG-CB 4.23Å; Q248-T336 PolarHBondContact OE1-OG1 3.48Å
249	V	98.7	Very high	97.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	162.8	166	-55.5	0	0	0	0	110.7	I224 M259 L264 F268 L279 V280 H281	I224-V249 HydrophobicContact CB-CG1 4.46Å; I224-V249 HydrophobicContact CD1-CG1 4.41Å; V249-M259 HydrophobicContact CB-CE 4.02Å; V249-M259 HydrophobicContact CB-SD 3.97Å; V249-M259 HydrophobicContact CG1-CE 3.72Å; V249-M259 HydrophobicContact CG1-SD 3.9Å; V249-L264 HydrophobicContact CB-CD2 4.2Å; V249-L264 HydrophobicContact CG2-CD2 3.63Å; V249-F268 HydrophobicContact CG2-CE1 3.69Å; V249-F268 HydrophobicContact CG2-CZ 4.31Å; V249-L279 PolarHBondContact N-O 2.93Å; V249-V280 HydrophobicContact CG2-CB 4.47Å; V249-V280 HydrophobicContact CG2-CG1 4.23Å; V249-V280 HydrophobicContact CG2-CG2 4.08Å; V249-H281 PolarHBondContact O-N 3.05Å
250	Y	98.6	Very high	97.5	Very high	5 Å²	5	39 Å²	39	2%	0.02	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	132.1	-175.7	-70.6	-84.6	0	0	0	112.1	D223 Q248 Y253 Y257 M259 H281	D223-Y250 HydrophobicContact CB-CE2 4.09Å; D223-Y250 PolarHBondContact OD2-OH 3.34Å; Q248-Y250 HydrophobicContact CG-CE2 4.38Å; Q248-Y250 PolarHBondContact NE2-OH 3.35Å; Y250-Y253 AromaticContact CD1-CD2 3.57Å; Y250-Y253 HydrophobicContact CD1-CD2 3.57Å; Y250-Y253 AromaticContact CD1-CE2 3.73Å; Y250-Y253 HydrophobicContact CD1-CE2 3.73Å; Y250-Y253 AromaticContact CE1-CD2 3.97Å; Y250-Y253 HydrophobicContact CE1-CD2 3.97Å; Y250-Y253 AromaticContact CE1-CE2 3.73Å; Y250-Y253 HydrophobicContact CE1-CE2 3.73Å; Y250-Y253 HydrophobicContact CG-CD2 4.37Å; Y250-Y257 HydrophobicContact CD1-CD2 4.48Å; Y250-Y257 HydrophobicContact CD2-CD2 4.43Å; Y250-Y257 HydrophobicContact CD2-CG 4.23Å; Y250-Y257 HydrophobicContact CE2-CD2 4.42Å; Y250-Y257 HydrophobicContact CE2-CG 4.49Å; Y250-Y257 HydrophobicContact CG-CD2 4.44Å; Y250-Y257 HydrophobicContact CG-CG 4.42Å; Y250-M259 PolarHBondContact O-N 2.81Å; Y250-H281 HydrophobicContact CD1-CB 3.68Å; Y250-H281 AromaticContact CD1-CD2 3.56Å; Y250-H281 AromaticContact CD1-CG 3.87Å; Y250-H281 HydrophobicContact CE1-CB 3.79Å; Y250-H281 AromaticContact CE1-CD2 3.94Å; Y250-H281 AromaticContact CE1-CG 3.95Å
251	M	98.8	Very high	97.5	Very high	1 Å²	1	36 Å²	36	1%	0.005	19%	0.188	C	C	.	.	S	Bend	trans	-100.2	-14.3	166.4	-57.6	-179.5	69.5	0	0	112	Q258 L264 V280 H281 A282 E283 G285 A318 R321 A322	M251-Q258 WeakPolarHBondContact O-CG 3.36Å; M251-L264 HydrophobicContact CE-CD1 4.18Å; M251-L264 HydrophobicContact CG-CD1 4.04Å; M251-L264 HydrophobicContact SD-CD1 4.4Å; M251-V280 HydrophobicContact CG-CG1 4.02Å; M251-V280 HydrophobicContact SD-CG1 3.76Å; M251-H281 PolarHBondContact N-O 2.96Å; M251-A282 HydrophobicContact SD-CB 4.16Å; M251-E283 CarbonylContact C-O 3.58Å; M251-E283 WeakPolarHBondContact CB-O 3.49Å; M251-G285 PolarHBondContact O-N 3.24Å; M251-A318 HydrophobicContact CB-CB 4.44Å; M251-A318 HydrophobicContact CE-CB 3.86Å; M251-A318 WeakPolarHBondContact CE-O 3.44Å; M251-A318 HydrophobicContact SD-CB 4.03Å; M251-R321 HydrophobicContact CE-CB 4.09Å; M251-R321 HydrophobicContact CE-CG 4.03Å; M251-A322 HydrophobicContact SD-CB 3.79Å
252	A	97.6	Very high	97.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.186	C	C	.	.	S	Bend	trans	-100.6	-175.9	175.1	0	0	0	0	0	111.6	Q258 H281 E283 I288	A252-Q258 WeakPolarHBondContact O-CA 3.32Å; A252-Q258 WeakPolarHBondContact O-CB 3.49Å; A252-Q258 PolarHBondContact O-N 2.66Å; A252-H281 WeakPolarHBondContact CB-NE2 3.45Å; A252-E283 HydrophobicContact CB-CB 4Å; A252-E283 PolarHBondContact N-O 3.28Å; A252-I288 HydrophobicContact CB-CD1 4.15Å
253	Y	96.3	Very high	97.5	Very high	50 Å²	50	34.1 Å²	34.1	20%	0.196	19%	0.186	C	C	.	.	S	Bend	trans	59.5	62.6	-178.4	-48.4	-74.6	0	0	0	112.5	Y250 V256 Y257 Q258 H281 E436	Y250-Y253 AromaticContact CD1-CD2 3.57Å; Y250-Y253 HydrophobicContact CD1-CD2 3.57Å; Y250-Y253 AromaticContact CD1-CE2 3.73Å; Y250-Y253 HydrophobicContact CD1-CE2 3.73Å; Y250-Y253 AromaticContact CE1-CD2 3.97Å; Y250-Y253 HydrophobicContact CE1-CD2 3.97Å; Y250-Y253 AromaticContact CE1-CE2 3.73Å; Y250-Y253 HydrophobicContact CE1-CE2 3.73Å; Y250-Y253 HydrophobicContact CG-CD2 4.37Å; Y253-V256 PolarHBondContact O-N 3.42Å; Y253-V256 VanDerWaalsContact O-N 3.11Å; Y253-Y257 AromaticContact CD2-CD2 3.72Å; Y253-Y257 HydrophobicContact CD2-CD2 3.72Å; Y253-Y257 HydrophobicContact CD2-CE2 4.49Å; Y253-Y257 AromaticContact CG-CD2 3.77Å; Y253-Y257 HydrophobicContact CG-CD2 3.77Å; Y253-Y257 HydrophobicContact CG-CE2 4.41Å; Y253-Y257 PolarHBondContact O-N 2.71Å; Y253-Q258 PolarHBondContact O-N 3.47Å; Y253-Q258 VanDerWaalsContact O-N 3.08Å; Y253-H281 AromaticContact CE2-CD2 3.59Å; Y253-H281 AromaticContact CE2-NE2 3.46Å; Y253-H281 WeakPolarHBondContact CE2-NE2 3.47Å; Y253-H281 AromaticContact CZ-NE2 3.99Å; Y253-E436 WeakPolarHBondContact CE1-OE2 3.47Å; Y253-E436 VanDerWaalsContact CZ-OE2 3.31Å; Y253-E436 PolarHBondContact OH-OE2 2.93Å
254	K	96.4	Very high	97.6	Very high	71 Å²	71	33.6 Å²	33.6	31%	0.309	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	138.7	176.5	179.6	161	-179.3	159.1	0	111.8	V256 Q258 D286 A289	K254-V256 PolarHBondContact O-N 3.28Å; K254-Q258 VanDerWaalsContact CA-OE1 3.27Å; K254-Q258 VanDerWaalsContact CB-OE1 3.27Å; K254-D286 IonicContact NZ-OD1 2.8Å; K254-D286 PolarHBondContact NZ-OD1 2.86Å; K254-A289 HydrophobicContact CB-CB 4.29Å; K254-A289 HydrophobicContact CD-CB 4.02Å
255	D	93.4	Very high	97.6	Very high	152 Å²	152	39.3 Å²	39.3	81%	0.813	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.7	4.5	-178.7	-50.4	-35.2	0	0	0	115.3
256	V	93.1	Very high	97.6	Very high	75 Å²	75	43.4 Å²	43.4	46%	0.455	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.2	-54.9	179	-170.8	0	0	0	0	112.2	P195 Y253 K254	P195-V256 HydrophobicContact CG-CG1 4.02Å; Y253-V256 PolarHBondContact O-N 3.42Å; Y253-V256 VanDerWaalsContact O-N 3.11Å; K254-V256 PolarHBondContact O-N 3.28Å
257	Y	95.7	Very high	97.5	Very high	33 Å²	33	43.4 Å²	43.4	13%	0.129	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.8	-18.4	-179.7	-50.1	-44.1	0	0	0	114	P195 T225 Y250 Y253 M259	P195-Y257 HydrophobicContact CG-CD1 4.38Å; P195-Y257 HydrophobicContact CG-CE1 3.97Å; T225-Y257 HydrophobicContact CG2-CD1 3.38Å; T225-Y257 HydrophobicContact CG2-CE1 3.5Å; T225-Y257 VanDerWaalsContact CG2-CE1 3.5Å; T225-Y257 HydrophobicContact CG2-CG 4.2Å; Y250-Y257 HydrophobicContact CD1-CD2 4.48Å; Y250-Y257 HydrophobicContact CD2-CD2 4.43Å; Y250-Y257 HydrophobicContact CD2-CG 4.23Å; Y250-Y257 HydrophobicContact CE2-CD2 4.42Å; Y250-Y257 HydrophobicContact CE2-CG 4.49Å; Y250-Y257 HydrophobicContact CG-CD2 4.44Å; Y250-Y257 HydrophobicContact CG-CG 4.42Å; Y253-Y257 AromaticContact CD2-CD2 3.72Å; Y253-Y257 HydrophobicContact CD2-CD2 3.72Å; Y253-Y257 HydrophobicContact CD2-CE2 4.49Å; Y253-Y257 AromaticContact CG-CD2 3.77Å; Y253-Y257 HydrophobicContact CG-CD2 3.77Å; Y253-Y257 HydrophobicContact CG-CE2 4.41Å; Y253-Y257 PolarHBondContact O-N 2.71Å; Y257-M259 PolarHBondContact O-N 3.39Å
258	Q	97.8	Very high	97.5	Very high	42 Å²	42	43.4 Å²	43.4	20%	0.196	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-57.1	124.5	-172.8	-178.2	176.1	-7.5	0	0	112.5	M251 A252 Y253 K254 D286	M251-Q258 WeakPolarHBondContact O-CG 3.36Å; A252-Q258 WeakPolarHBondContact O-CA 3.32Å; A252-Q258 WeakPolarHBondContact O-CB 3.49Å; A252-Q258 PolarHBondContact O-N 2.66Å; Y253-Q258 PolarHBondContact O-N 3.47Å; Y253-Q258 VanDerWaalsContact O-N 3.08Å; K254-Q258 VanDerWaalsContact CA-OE1 3.27Å; K254-Q258 VanDerWaalsContact CB-OE1 3.27Å; Q258-D286 PolarHBondContact NE2-OD2 3.02Å
259	M	97.8	Very high	97.5	Very high	3 Å²	3	46.4 Å²	46.4	2%	0.015	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-89.9	141.9	167.8	-65.5	-168.1	-173.7	0	0	111.6	I224 W227 V249 Y250 Y257 Q263 L264 A267	I224-M259 HydrophobicContact CB-CE 3.83Å; I224-M259 HydrophobicContact CG2-CE 3.46Å; I224-M259 VanDerWaalsContact CG2-CE 3.46Å; I224-M259 VanDerWaalsContact O-CE 3.26Å; I224-M259 WeakPolarHBondContact O-CE 3.3Å; W227-M259 HydrophobicContact CB-CE 4.14Å; W227-M259 HydrophobicContact CB-SD 4.3Å; V249-M259 HydrophobicContact CB-CE 4.02Å; V249-M259 HydrophobicContact CB-SD 3.97Å; V249-M259 HydrophobicContact CG1-CE 3.72Å; V249-M259 HydrophobicContact CG1-SD 3.9Å; Y250-M259 PolarHBondContact O-N 2.81Å; Y257-M259 PolarHBondContact O-N 3.39Å; M259-Q263 HydrophobicContact CB-CB 4.09Å; M259-Q263 HydrophobicContact CG-CB 4.43Å; M259-Q263 HydrophobicContact SD-CB 4.46Å; M259-L264 HydrophobicContact CB-CD2 3.76Å; M259-L264 HydrophobicContact CB-CG 3.8Å; M259-L264 HydrophobicContact CG-CD2 4.42Å; M259-L264 HydrophobicContact SD-CD2 4.08Å; M259-A267 HydrophobicContact SD-CB 4.32Å
260	S	98.1	Very high	97.5	Very high	55 Å²	55	48.3 Å²	48.3	39%	0.385	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-71.8	158.4	164.9	63.5	0	0	0	0	111.6	S262 Q263 L264	S260-S262 PolarHBondContact O-N 3.24Å; S260-S262 VanDerWaalsContact O-N 3.14Å; S260-Q263 PolarHBondContact O-N 3.48Å; S260-Q263 WeakPolarHBondContact OG-CG 3.39Å; S260-Q263 PolarHBondContact OG-N 3.11Å; S260-Q263 PolarHBondContact OG-OE1 3.11Å; S260-L264 WeakPolarHBondContact O-CG 3.24Å; S260-L264 PolarHBondContact O-N 3.17Å
261	D	98.6	Very high	97.5	Very high	74 Å²	74	48.1 Å²	48.1	40%	0.396	25%	0.248	S	C	.	.	H	α-helix	trans	-54.4	-34	177.6	-73.4	2.5	0	0	0	113.4	Y265 R321 I325	D261-Y265 WeakPolarHBondContact O-CB 3.37Å; D261-Y265 PolarHBondContact O-N 3.1Å; D261-R321 WeakPolarHBondContact OD1-CD 3.4Å; D261-R321 IonicContact OD1-CZ 3.68Å; D261-R321 IonicContact OD1-NE 2.77Å; D261-R321 IonicContact OD1-NH1 3.09Å; D261-R321 PolarHBondContact OD1-NH1 3.32Å; D261-R321 WeakPolarHBondContact OD2-CD 3.34Å; D261-I325 HydrophobicContact CB-CD1 4.27Å
262	S	98.2	Very high	97.4	Very high	84 Å²	84	49.7 Å²	49.7	59%	0.587	26%	0.255	S	S	*	.	H	α-helix	trans	-65.3	-45.8	174.5	-57.1	0	0	0	0	111.9	S260 Y265 E266	S260-S262 PolarHBondContact O-N 3.24Å; S260-S262 VanDerWaalsContact O-N 3.14Å; S262-Y265 PolarHBondContact O-N 2.86Å; S262-E266 PolarHBondContact O-N 3.24Å
263	Q	98	Very high	97.5	Very high	61 Å²	61	52.3 Å²	52.3	29%	0.285	28%	0.281	S	S	.	.	H	α-helix	trans	-67	-40.4	176.9	-70.3	165.1	-61.7	0	0	111.4	W227 M259 S260 Y265 E266 A267	W227-Q263 HydrophobicContact CB-CB 4.11Å; W227-Q263 HydrophobicContact CB-CG 4.23Å; W227-Q263 HydrophobicContact CG-CB 4.25Å; W227-Q263 HydrophobicContact CG-CG 4.45Å; W227-Q263 PolarHBondContact O-NE2 3.17Å; M259-Q263 HydrophobicContact CB-CB 4.09Å; M259-Q263 HydrophobicContact CG-CB 4.43Å; M259-Q263 HydrophobicContact SD-CB 4.46Å; S260-Q263 PolarHBondContact O-N 3.48Å; S260-Q263 WeakPolarHBondContact OG-CG 3.39Å; S260-Q263 PolarHBondContact OG-N 3.11Å; S260-Q263 PolarHBondContact OG-OE1 3.11Å; Q263-Y265 VanDerWaalsContact C-N 3.31Å; Q263-Y265 PolarHBondContact O-N 2.96Å; Q263-E266 PolarHBondContact O-N 3.46Å; Q263-A267 WeakPolarHBondContact O-CB 3.4Å; Q263-A267 PolarHBondContact O-N 2.93Å
264	L	98.5	Very high	97.5	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-58.1	-43.9	172.3	-69.3	172.5	0	0	0	111.1	V249 M251 M259 S260 F268 I325	V249-L264 HydrophobicContact CB-CD2 4.2Å; V249-L264 HydrophobicContact CG2-CD2 3.63Å; M251-L264 HydrophobicContact CE-CD1 4.18Å; M251-L264 HydrophobicContact CG-CD1 4.04Å; M251-L264 HydrophobicContact SD-CD1 4.4Å; M259-L264 HydrophobicContact CB-CD2 3.76Å; M259-L264 HydrophobicContact CB-CG 3.8Å; M259-L264 HydrophobicContact CG-CD2 4.42Å; M259-L264 HydrophobicContact SD-CD2 4.08Å; S260-L264 WeakPolarHBondContact O-CG 3.24Å; S260-L264 PolarHBondContact O-N 3.17Å; L264-F268 HydrophobicContact CD2-CE1 4.19Å; L264-F268 HydrophobicContact CD2-CZ 4.41Å; L264-F268 VanDerWaalsContact O-CB 3.23Å; L264-F268 WeakPolarHBondContact O-CB 3.36Å; L264-F268 VanDerWaalsContact O-CD1 3.26Å; L264-F268 WeakPolarHBondContact O-CD1 3.31Å; L264-F268 WeakPolarHBondContact O-CG 3.37Å; L264-F268 PolarHBondContact O-N 2.98Å; L264-I325 HydrophobicContact CB-CD1 4.09Å; L264-I325 HydrophobicContact CD1-CD1 4.04Å
265	Y	98.6	Very high	97.6	Very high	119 Å²	119	47.5 Å²	47.5	47%	0.467	26%	0.263	S	S	.	.	H	α-helix	trans	-63.3	-44.1	178.4	-176.7	-84	0	0	0	112.4	D261 S262 Q263 T269 I325 I329	D261-Y265 WeakPolarHBondContact O-CB 3.37Å; D261-Y265 PolarHBondContact O-N 3.1Å; S262-Y265 PolarHBondContact O-N 2.86Å; Q263-Y265 VanDerWaalsContact C-N 3.31Å; Q263-Y265 PolarHBondContact O-N 2.96Å; Y265-T269 VanDerWaalsContact O-CB 3.32Å; Y265-T269 WeakPolarHBondContact O-CB 3.35Å; Y265-T269 PolarHBondContact O-N 3.46Å; Y265-T269 VanDerWaalsContact O-N 3.1Å; Y265-T269 PolarHBondContact O-OG1 2.84Å; Y265-I325 HydrophobicContact CD2-CG2 4.34Å; Y265-I329 HydrophobicContact CD2-CD1 3.66Å; Y265-I329 HydrophobicContact CD2-CG1 3.81Å; Y265-I329 HydrophobicContact CE2-CD1 3.96Å; Y265-I329 HydrophobicContact CE2-CG1 3.57Å; Y265-I329 HydrophobicContact CG-CD1 4.01Å; Y265-I329 HydrophobicContact CG-CG1 4.5Å; Y265-I329 VanDerWaalsContact O-CD1 3.27Å; Y265-I329 WeakPolarHBondContact O-CD1 3.39Å
266	E	98.4	Very high	97.9	Very high	87 Å²	87	40.3 Å²	40.3	41%	0.407	22%	0.224	S	C	.	.	H	α-helix	trans	-65.1	-49.9	175.4	-72.7	179.5	-156.6	0	0	112.3	W227 R232 S262 Q263 F268 T269 F270	W227-E266 HydrophobicContact CZ2-CB 4.08Å; W227-E266 PolarHBondContact NE1-OE2 3.29Å; R232-E266 IonicContact NH2-OE2 3.96Å; S262-E266 PolarHBondContact O-N 3.24Å; Q263-E266 PolarHBondContact O-N 3.46Å; E266-F268 PolarHBondContact O-N 3.48Å; E266-T269 WeakPolarHBondContact O-CB 3.4Å; E266-T269 PolarHBondContact O-N 2.94Å; E266-F270 PolarHBondContact O-N 2.93Å
267	A	98.3	Very high	98.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-58.2	-47.7	179.6	0	0	0	0	0	111.3	W227 M259 Q263 T269 F270 L271	W227-A267 HydrophobicContact CD2-CB 3.9Å; W227-A267 HydrophobicContact CE3-CB 3.66Å; W227-A267 HydrophobicContact CH2-CB 4.17Å; W227-A267 HydrophobicContact CZ2-CB 4.34Å; W227-A267 HydrophobicContact CZ3-CB 3.81Å; M259-A267 HydrophobicContact SD-CB 4.32Å; Q263-A267 WeakPolarHBondContact O-CB 3.4Å; Q263-A267 PolarHBondContact O-N 2.93Å; A267-T269 VanDerWaalsContact C-N 3.31Å; A267-T269 PolarHBondContact O-N 2.72Å; A267-F270 PolarHBondContact O-N 3.31Å; A267-L271 VanDerWaalsContact O-CB 3.3Å; A267-L271 WeakPolarHBondContact O-CB 3.14Å; A267-L271 WeakPolarHBondContact O-CG 3.28Å; A267-L271 PolarHBondContact O-N 2.77Å
268	F	98.6	Very high	98.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64	-37.3	178.3	-74.5	15.6	0	0	0	111.9	V249 L264 E266 K272 I278 V280 I325 A326 I329 V333	V249-F268 HydrophobicContact CG2-CE1 3.69Å; V249-F268 HydrophobicContact CG2-CZ 4.31Å; L264-F268 HydrophobicContact CD2-CE1 4.19Å; L264-F268 HydrophobicContact CD2-CZ 4.41Å; L264-F268 VanDerWaalsContact O-CB 3.23Å; L264-F268 WeakPolarHBondContact O-CB 3.36Å; L264-F268 VanDerWaalsContact O-CD1 3.26Å; L264-F268 WeakPolarHBondContact O-CD1 3.31Å; L264-F268 WeakPolarHBondContact O-CG 3.37Å; L264-F268 PolarHBondContact O-N 2.98Å; E266-F268 PolarHBondContact O-N 3.48Å; F268-K272 WeakPolarHBondContact O-CB 3.5Å; F268-K272 PolarHBondContact O-N 3.05Å; F268-I278 HydrophobicContact CB-CD1 4.06Å; F268-I278 HydrophobicContact CD1-CD1 4.23Å; F268-I278 HydrophobicContact CD1-CG2 3.54Å; F268-I278 HydrophobicContact CE1-CG2 3.33Å; F268-I278 HydrophobicContact CG-CD1 4.12Å; F268-I278 HydrophobicContact CG-CG2 4.29Å; F268-I278 HydrophobicContact CZ-CG2 3.96Å; F268-V280 HydrophobicContact CE1-CG2 4.21Å; F268-V280 HydrophobicContact CZ-CG2 3.7Å; F268-I325 HydrophobicContact CD2-CB 4.41Å; F268-I325 HydrophobicContact CD2-CG2 3.76Å; F268-I325 HydrophobicContact CE2-CB 4.33Å; F268-I325 HydrophobicContact CE2-CG2 4.07Å; F268-A326 HydrophobicContact CD2-CB 4.05Å; F268-A326 HydrophobicContact CE2-CB 4.05Å; F268-I329 HydrophobicContact CB-CD1 3.46Å; F268-I329 VanDerWaalsContact CB-CD1 3.46Å; F268-I329 HydrophobicContact CD2-CD1 4.35Å; F268-I329 HydrophobicContact CG-CD1 4.39Å; F268-V333 HydrophobicContact CE2-CG2 4.5Å
269	T	98.1	Very high	98.3	Very high	62 Å²	62	33.2 Å²	33.2	38%	0.38	19%	0.187	S	C	.	.	H	α-helix	trans	-65.5	-44.2	176.9	-61.8	0	0	0	0	111.1	Y265 E266 A267 G273	Y265-T269 VanDerWaalsContact O-CB 3.32Å; Y265-T269 WeakPolarHBondContact O-CB 3.35Å; Y265-T269 PolarHBondContact O-N 3.46Å; Y265-T269 VanDerWaalsContact O-N 3.1Å; Y265-T269 PolarHBondContact O-OG1 2.84Å; E266-T269 WeakPolarHBondContact O-CB 3.4Å; E266-T269 PolarHBondContact O-N 2.94Å; A267-T269 VanDerWaalsContact C-N 3.31Å; A267-T269 PolarHBondContact O-N 2.72Å; T269-G273 PolarHBondContact O-N 3.09Å
270	F	98.6	Very high	98.3	Very high	41 Å²	41	33 Å²	33	18%	0.18	19%	0.186	C	C	.	.	H	α-helix	trans	-69.5	-50	179.5	-173.8	-103.3	0	0	0	112.3	W227 R232 L235 E236 E266 A267 K272 G273 L274	W227-F270 HydrophobicContact CH2-CB 3.76Å; W227-F270 AromaticContact CH2-CD1 3.86Å; W227-F270 HydrophobicContact CH2-CD1 3.86Å; W227-F270 AromaticContact CH2-CG 3.99Å; W227-F270 HydrophobicContact CH2-CG 3.99Å; W227-F270 HydrophobicContact CZ2-CB 4.21Å; R232-F270 HydrophobicContact CB-CD1 4.48Å; R232-F270 HydrophobicContact CB-CE1 3.77Å; R232-F270 HydrophobicContact CB-CE2 3.88Å; R232-F270 HydrophobicContact CB-CZ 3.44Å; R232-F270 VanDerWaalsContact CB-CZ 3.44Å; R232-F270 HydrophobicContact CG-CD1 4.08Å; R232-F270 HydrophobicContact CG-CD2 4.12Å; R232-F270 HydrophobicContact CG-CE1 3.87Å; R232-F270 HydrophobicContact CG-CE2 3.93Å; R232-F270 HydrophobicContact CG-CG 4.2Å; R232-F270 HydrophobicContact CG-CZ 3.81Å; L235-F270 HydrophobicContact CB-CE1 3.97Å; L235-F270 HydrophobicContact CD1-CD1 4.04Å; L235-F270 HydrophobicContact CD1-CE1 4Å; E236-F270 HydrophobicContact CG-CZ 4.07Å; E266-F270 PolarHBondContact O-N 2.93Å; A267-F270 PolarHBondContact O-N 3.31Å; F270-K272 VanDerWaalsContact C-N 3.29Å; F270-K272 PolarHBondContact O-N 3.38Å; F270-G273 VanDerWaalsContact O-CA 3.29Å; F270-G273 WeakPolarHBondContact O-CA 3.1Å; F270-G273 PolarHBondContact O-N 3.04Å; F270-L274 HydrophobicContact CD1-CD1 4.15Å; F270-L274 HydrophobicContact CD1-CG 4.43Å; F270-L274 HydrophobicContact CE1-CD1 3.55Å; F270-L274 HydrophobicContact CE1-CD2 4.47Å; F270-L274 HydrophobicContact CE1-CG 4.04Å; F270-L274 HydrophobicContact CZ-CD1 4.09Å; F270-L274 HydrophobicContact CZ-CD2 4.23Å; F270-L274 HydrophobicContact CZ-CG 4.28Å; F270-L274 PolarHBondContact O-N 2.88Å; F270-L274 VanDerWaalsContact O-N 3.07Å
271	L	98.4	Very high	98.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-61.4	-34.6	178.3	-68.5	175.5	0	0	0	112.8	I224 L235 F247 A267 G273 L274 G275 A276 I278	I224-L271 HydrophobicContact CD1-CD1 3.91Å; I224-L271 HydrophobicContact CD1-CD2 4.26Å; L235-L271 HydrophobicContact CD1-CD2 4.14Å; L235-L271 HydrophobicContact CD2-CD2 4.29Å; F247-L271 HydrophobicContact CB-CD1 4.12Å; F247-L271 HydrophobicContact CB-CD2 4.2Å; F247-L271 HydrophobicContact CD2-CD2 3.52Å; F247-L271 HydrophobicContact CE2-CD2 4.09Å; F247-L271 HydrophobicContact CG-CD2 3.9Å; A267-L271 VanDerWaalsContact O-CB 3.3Å; A267-L271 WeakPolarHBondContact O-CB 3.14Å; A267-L271 WeakPolarHBondContact O-CG 3.28Å; A267-L271 PolarHBondContact O-N 2.77Å; L271-G273 VanDerWaalsContact C-N 3.3Å; L271-G273 PolarHBondContact O-N 2.97Å; L271-L274 PolarHBondContact O-N 2.83Å; L271-G275 PolarHBondContact O-N 2.89Å; L271-A276 HydrophobicContact CB-CB 4.44Å; L271-A276 HydrophobicContact CD2-CB 4.49Å; L271-A276 PolarHBondContact O-N 3.23Å; L271-I278 HydrophobicContact CB-CD1 4.07Å; L271-I278 HydrophobicContact CB-CG1 3.81Å; L271-I278 HydrophobicContact CD1-CG1 4.02Å
272	K	97.9	Very high	98.4	Very high	35 Å²	35	27 Å²	27	15%	0.152	15%	0.15	C	C	.	.	H	α-helix	trans	-60	-41.2	169	178.8	-169.6	170.2	-175	0	111.7	F268 F270 L274 G275 I329 N330 C331 Y562 N569	F268-K272 WeakPolarHBondContact O-CB 3.5Å; F268-K272 PolarHBondContact O-N 3.05Å; F270-K272 VanDerWaalsContact C-N 3.29Å; F270-K272 PolarHBondContact O-N 3.38Å; K272-L274 VanDerWaalsContact C-N 3.33Å; K272-G275 PolarHBondContact O-N 2.98Å; K272-I329 HydrophobicContact CD-CG2 3.88Å; K272-I329 PolarHBondContact NZ-O 2.9Å; K272-N330 WeakPolarHBondContact CD-O 3.48Å; K272-N330 WeakPolarHBondContact CE-O 3.42Å; K272-N330 PolarHBondContact NZ-O 3.27Å; K272-C331 HydrophobicContact CB-CB 3.83Å; K272-C331 HydrophobicContact CD-CB 3.99Å; K272-C331 HydrophobicContact CG-CB 3.98Å; K272-Y562 HydrophobicContact CG-CE1 4.49Å; K272-N569 PolarHBondContact NZ-OD1 3.43Å
273	G	97.8	Very high	98.4	Very high	54 Å²	54	23 Å²	23	56%	0.557	12%	0.122	S	C	*	.	H	α-helix	trans	-61.7	-39.5	176.8	0	0	0	0	0	112.6	T269 F270 L271 G275 F557	T269-G273 PolarHBondContact O-N 3.09Å; F270-G273 VanDerWaalsContact O-CA 3.29Å; F270-G273 WeakPolarHBondContact O-CA 3.1Å; F270-G273 PolarHBondContact O-N 3.04Å; L271-G273 VanDerWaalsContact C-N 3.3Å; L271-G273 PolarHBondContact O-N 2.97Å; G273-G275 PolarHBondContact O-N 2.95Å; G273-F557 WeakPolarHBondContact O-CZ 3.29Å
274	L	98.3	Very high	98.4	Very high	21 Å²	21	21 Å²	21	11%	0.11	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-5.7	174.9	-58.5	-172.2	0	0	0	114.3	L235 E236 V239 F270 L271 K272 A276 A556	L235-L274 HydrophobicContact CB-CD1 3.94Å; E236-L274 HydrophobicContact CG-CD1 4.32Å; E236-L274 HydrophobicContact CG-CD2 3.65Å; V239-L274 HydrophobicContact CG2-CB 4.17Å; V239-L274 HydrophobicContact CG2-CD1 4.01Å; F270-L274 HydrophobicContact CD1-CD1 4.15Å; F270-L274 HydrophobicContact CD1-CG 4.43Å; F270-L274 HydrophobicContact CE1-CD1 3.55Å; F270-L274 HydrophobicContact CE1-CD2 4.47Å; F270-L274 HydrophobicContact CE1-CG 4.04Å; F270-L274 HydrophobicContact CZ-CD1 4.09Å; F270-L274 HydrophobicContact CZ-CD2 4.23Å; F270-L274 HydrophobicContact CZ-CG 4.28Å; F270-L274 PolarHBondContact O-N 2.88Å; F270-L274 VanDerWaalsContact O-N 3.07Å; L271-L274 PolarHBondContact O-N 2.83Å; K272-L274 VanDerWaalsContact C-N 3.33Å; L274-A276 VanDerWaalsContact C-N 3.35Å; L274-A556 VanDerWaalsContact O-CB 3.31Å; L274-A556 WeakPolarHBondContact O-CB 3.45Å
275	G	98	Very high	98.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	20.8	-178.6	0	0	0	0	0	114.4	L271 K272 G273 F557 P558 Y562	L271-G275 PolarHBondContact O-N 2.89Å; K272-G275 PolarHBondContact O-N 2.98Å; G273-G275 PolarHBondContact O-N 2.95Å; G275-F557 VanDerWaalsContact CA-CD1 3.48Å; G275-F557 WeakPolarHBondContact O-CA 3.27Å; G275-F557 PolarHBondContact O-N 3.06Å; G275-P558 WeakPolarHBondContact O-CD 3.25Å; G275-Y562 VanDerWaalsContact C-CZ 3.44Å; G275-Y562 VanDerWaalsContact CA-CZ 3.46Å; G275-Y562 VanDerWaalsContact O-CE2 3.26Å; G275-Y562 WeakPolarHBondContact O-CE2 3.44Å
276	A	98.3	Very high	98.4	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.109	C	C	.	.			trans	-84.3	160	-176	0	0	0	0	0	113.5	N245 F247 L271 L274 Y562	N245-A276 CarbonylContact O-C 3.16Å; N245-A276 WeakPolarHBondContact O-CA 3.38Å; F247-A276 HydrophobicContact CD2-CB 3.73Å; F247-A276 HydrophobicContact CE2-CB 3.81Å; L271-A276 HydrophobicContact CB-CB 4.44Å; L271-A276 HydrophobicContact CD2-CB 4.49Å; L271-A276 PolarHBondContact O-N 3.23Å; L274-A276 VanDerWaalsContact C-N 3.35Å; A276-Y562 PolarHBondContact N-OH 3.18Å; A276-Y562 PolarHBondContact O-OH 2.86Å
277	V	98.3	Very high	98.5	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.006	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	128.1	165.4	-167	0	0	0	0	108.2	N245 S246 F247 L279 I474 F475 P558 L561	N245-V277 PolarHBondContact O-N 2.92Å; S246-V277 VanDerWaalsContact CA-O 3.26Å; S246-V277 WeakPolarHBondContact CA-O 3.06Å; F247-V277 PolarHBondContact N-O 2.81Å; F247-V277 VanDerWaalsContact N-O 3.11Å; V277-L279 HydrophobicContact CB-CD1 4.41Å; V277-L279 HydrophobicContact CG1-CD1 4.31Å; V277-I474 HydrophobicContact CG1-CG2 4.14Å; V277-F475 HydrophobicContact CB-CD1 4.44Å; V277-F475 HydrophobicContact CB-CE1 4.13Å; V277-F475 HydrophobicContact CG1-CE1 4Å; V277-F475 HydrophobicContact CG2-CD1 4.12Å; V277-F475 HydrophobicContact CG2-CE1 4.28Å; V277-P558 HydrophobicContact CG2-CG 4.02Å; V277-L561 HydrophobicContact CB-CD1 4.44Å; V277-L561 HydrophobicContact CG1-CD1 4.21Å; V277-L561 HydrophobicContact CG2-CD1 3.65Å
278	I	98.7	Very high	98.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	111	-177.9	-60.3	162.1	0	0	0	108.1	F268 L271 V280 C331 Y334	F268-I278 HydrophobicContact CB-CD1 4.06Å; F268-I278 HydrophobicContact CD1-CD1 4.23Å; F268-I278 HydrophobicContact CD1-CG2 3.54Å; F268-I278 HydrophobicContact CE1-CG2 3.33Å; F268-I278 HydrophobicContact CG-CD1 4.12Å; F268-I278 HydrophobicContact CG-CG2 4.29Å; F268-I278 HydrophobicContact CZ-CG2 3.96Å; L271-I278 HydrophobicContact CB-CD1 4.07Å; L271-I278 HydrophobicContact CB-CG1 3.81Å; L271-I278 HydrophobicContact CD1-CG1 4.02Å; I278-V280 HydrophobicContact CG2-CG2 4.24Å; I278-C331 HydrophobicContact CD1-CB 3.87Å; I278-Y334 WeakPolarHBondContact O-CB 3.31Å; I278-Y334 PolarHBondContact O-N 2.98Å
279	L	98.9	Very high	98.5	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	142.4	174.2	-68.6	73.6	0	0	0	108.7	S246 F247 Q248 V249 V277 Y334 T336 F475	S246-L279 VanDerWaalsContact CB-CD1 3.44Å; F247-L279 PolarHBondContact O-N 2.91Å; Q248-L279 WeakPolarHBondContact CA-O 3.09Å; Q248-L279 HydrophobicContact CB-CB 3.91Å; Q248-L279 HydrophobicContact CG-CB 4.23Å; V249-L279 PolarHBondContact N-O 2.93Å; V277-L279 HydrophobicContact CB-CD1 4.41Å; V277-L279 HydrophobicContact CG1-CD1 4.31Å; L279-Y334 CarbonylContact C-O 3.17Å; L279-Y334 VanDerWaalsContact CA-O 3.31Å; L279-Y334 WeakPolarHBondContact CA-O 3.48Å; L279-Y334 HydrophobicContact CD2-CD1 4.47Å; L279-Y334 HydrophobicContact CG-CD1 3.96Å; L279-Y334 HydrophobicContact CG-CG 4.44Å; L279-T336 HydrophobicContact CB-CG2 3.97Å; L279-T336 HydrophobicContact CD2-CG2 3.8Å; L279-T336 HydrophobicContact CG-CG2 4.12Å; L279-F475 HydrophobicContact CD1-CE1 4.18Å
280	V	98.9	Very high	98.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	118.4	-179.5	-170.4	0	0	0	0	109.5	V249 M251 F268 I278 A282 A322 V333 Y334 I335 T336	V249-V280 HydrophobicContact CG2-CB 4.47Å; V249-V280 HydrophobicContact CG2-CG1 4.23Å; V249-V280 HydrophobicContact CG2-CG2 4.08Å; M251-V280 HydrophobicContact CG-CG1 4.02Å; M251-V280 HydrophobicContact SD-CG1 3.76Å; F268-V280 HydrophobicContact CE1-CG2 4.21Å; F268-V280 HydrophobicContact CZ-CG2 3.7Å; I278-V280 HydrophobicContact CG2-CG2 4.24Å; V280-A282 HydrophobicContact CG1-CB 4.02Å; V280-A282 PolarHBondContact O-N 3.4Å; V280-A322 HydrophobicContact CG1-CB 4.05Å; V280-V333 HydrophobicContact CG2-CG2 3.49Å; V280-V333 VanDerWaalsContact CG2-CG2 3.49Å; V280-Y334 PolarHBondContact N-O 3.14Å; V280-I335 HydrophobicContact CB-CD1 4.25Å; V280-T336 PolarHBondContact O-N 3.09Å; V280-T336 PolarHBondContact O-OG1 2.86Å
281	H	98.7	Very high	98.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	103	162	175.1	70.1	0	0	0	108.5	V249 Y250 M251 A252 Y253 E283 S387	V249-H281 PolarHBondContact O-N 3.05Å; Y250-H281 HydrophobicContact CD1-CB 3.68Å; Y250-H281 AromaticContact CD1-CD2 3.56Å; Y250-H281 AromaticContact CD1-CG 3.87Å; Y250-H281 HydrophobicContact CE1-CB 3.79Å; Y250-H281 AromaticContact CE1-CD2 3.94Å; Y250-H281 AromaticContact CE1-CG 3.95Å; M251-H281 PolarHBondContact N-O 2.96Å; A252-H281 WeakPolarHBondContact CB-NE2 3.45Å; Y253-H281 AromaticContact CE2-CD2 3.59Å; Y253-H281 AromaticContact CE2-NE2 3.46Å; Y253-H281 WeakPolarHBondContact CE2-NE2 3.47Å; Y253-H281 AromaticContact CZ-NE2 3.99Å; H281-E283 IonicContact CE1-OE2 2.64Å; H281-E283 PolarHBondContact CE1-OE2 3.36Å; H281-E283 IonicContact NE2-OE2 3.73Å; H281-E283 PolarHBondContact NE2-OE2 3.22Å; H281-S387 PolarHBondContact CE1-O 3.11Å
282	A	98.6	Very high	98.5	Very high	2 Å²	2	24.9 Å²	24.9	2%	0.017	14%	0.143	C	C	.	.			trans	-107.8	86.2	-164.5	0	0	0	0	0	112.2	M251 V280 E315 A318 V319 I335	M251-A282 HydrophobicContact SD-CB 4.16Å; V280-A282 HydrophobicContact CG1-CB 4.02Å; V280-A282 PolarHBondContact O-N 3.4Å; A282-E315 WeakPolarHBondContact O-CA 3.37Å; A282-A318 VanDerWaalsContact C-CB 3.44Å; A282-A318 HydrophobicContact CB-CB 4.02Å; A282-V319 HydrophobicContact CB-CG2 3.6Å; A282-I335 HydrophobicContact CB-CG2 4.5Å
283	E	98.7	Very high	98.5	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	16%	0.16	C	C	.	.			trans	-130.5	154.6	161.7	-49.2	177.5	61.2	0	0	108.9	M251 A252 H281 G285 I288 R310 L314 A318 S387 P388	M251-E283 CarbonylContact C-O 3.58Å; M251-E283 WeakPolarHBondContact CB-O 3.49Å; A252-E283 HydrophobicContact CB-CB 4Å; A252-E283 PolarHBondContact N-O 3.28Å; H281-E283 IonicContact CE1-OE2 2.64Å; H281-E283 PolarHBondContact CE1-OE2 3.36Å; H281-E283 IonicContact NE2-OE2 3.73Å; H281-E283 PolarHBondContact NE2-OE2 3.22Å; E283-G285 PolarHBondContact O-N 3.22Å; E283-G285 VanDerWaalsContact O-N 3.12Å; E283-I288 HydrophobicContact CB-CD1 3.61Å; E283-I288 HydrophobicContact CG-CD1 4.5Å; E283-R310 WeakPolarHBondContact OE1-CD 3.48Å; E283-L314 CarbonylContact C-O 3.53Å; E283-L314 WeakPolarHBondContact CA-O 3.46Å; E283-A318 VanDerWaalsContact C-CB 3.48Å; E283-S387 WeakPolarHBondContact OE2-CB 3.43Å; E283-P388 VanDerWaalsContact CD-CA 3.5Å; E283-P388 HydrophobicContact CG-CB 3.99Å; E283-P388 HydrophobicContact CG-CG 3.72Å; E283-P388 VanDerWaalsContact OE2-CA 3.23Å; E283-P388 WeakPolarHBondContact OE2-CA 3.5Å
284	N	98.8	Very high	98.6	Very high	18 Å²	18	31 Å²	31	10%	0.096	15%	0.151	C	C	.	.			trans	-78.6	93.3	179.5	-172.3	-54.5	0	0	0	112.1	D286 L287 I288 L314 E317 R321	N284-D286 VanDerWaalsContact C-N 3.29Å; N284-D286 PolarHBondContact O-N 3.31Å; N284-D286 PolarHBondContact OD1-N 2.87Å; N284-L287 HydrophobicContact CB-CB 4.35Å; N284-L287 HydrophobicContact CB-CD1 4.37Å; N284-L287 PolarHBondContact O-N 3.05Å; N284-L287 WeakPolarHBondContact OD1-CG 3.46Å; N284-L287 PolarHBondContact OD1-N 3.24Å; N284-I288 VanDerWaalsContact O-CG1 3.3Å; N284-I288 WeakPolarHBondContact O-CG1 3.42Å; N284-I288 PolarHBondContact O-N 3.16Å; N284-L314 HydrophobicContact CB-CB 4.24Å; N284-L314 HydrophobicContact CB-CG 4.21Å; N284-L314 PolarHBondContact N-O 3.3Å; N284-E317 PolarHBondContact ND2-OE2 3.42Å; N284-R321 PolarHBondContact ND2-NH2 3.03Å
285	G	98.6	Very high	98.6	Very high	2 Å²	2	30.1 Å²	30.1	2%	0.021	15%	0.147	C	C	.	.	H	α-helix	trans	-57	-33	-175.4	0	0	0	0	0	116	M251 E283 A289	M251-G285 PolarHBondContact O-N 3.24Å; E283-G285 PolarHBondContact O-N 3.22Å; E283-G285 VanDerWaalsContact O-N 3.12Å; G285-A289 WeakPolarHBondContact O-CB 3.4Å; G285-A289 PolarHBondContact O-N 3.46Å; G285-A289 VanDerWaalsContact O-N 3.1Å
286	D	98.6	Very high	98.6	Very high	68 Å²	68	32.7 Å²	32.7	36%	0.364	16%	0.16	S	C	.	.	H	α-helix	trans	-67.5	-45.4	177.1	-76.8	-77	0	0	0	112.4	K254 Q258 N284 A289 Q290	K254-D286 IonicContact NZ-OD1 2.8Å; K254-D286 PolarHBondContact NZ-OD1 2.86Å; Q258-D286 PolarHBondContact NE2-OD2 3.02Å; N284-D286 VanDerWaalsContact C-N 3.29Å; N284-D286 PolarHBondContact O-N 3.31Å; N284-D286 PolarHBondContact OD1-N 2.87Å; D286-A289 PolarHBondContact O-N 3.37Å; D286-Q290 WeakPolarHBondContact O-CG 3.41Å; D286-Q290 PolarHBondContact O-N 3.34Å
287	L	98.8	Very high	98.6	Very high	81 Å²	81	39.3 Å²	39.3	42%	0.424	19%	0.191	S	C	.	.	H	α-helix	trans	-70.4	-38.7	177.8	-67	179.1	0	0	0	111.6	N284 A289 Q290 E291 L314	N284-L287 HydrophobicContact CB-CB 4.35Å; N284-L287 HydrophobicContact CB-CD1 4.37Å; N284-L287 PolarHBondContact O-N 3.05Å; N284-L287 WeakPolarHBondContact OD1-CG 3.46Å; N284-L287 PolarHBondContact OD1-N 3.24Å; L287-A289 VanDerWaalsContact C-N 3.3Å; L287-A289 PolarHBondContact O-N 3.38Å; L287-Q290 PolarHBondContact O-N 3.48Å; L287-E291 WeakPolarHBondContact O-CB 3.26Å; L287-E291 WeakPolarHBondContact O-CG 3.37Å; L287-E291 PolarHBondContact O-N 2.92Å; L287-L314 HydrophobicContact CB-CD1 4.47Å; L287-L314 HydrophobicContact CB-CD2 3.57Å; L287-L314 HydrophobicContact CB-CG 3.88Å; L287-L314 HydrophobicContact CD1-CD1 4.22Å; L287-L314 HydrophobicContact CD1-CG 4.13Å
288	I	98.8	Very high	98.7	Very high	8 Å²	8	45 Å²	45	4%	0.041	22%	0.219	C	C	.	.	H	α-helix	trans	-55.3	-47.7	172.9	-63.6	170.8	0	0	0	110.3	A252 E283 N284 Q290 E291 Q292 R310 L314	A252-I288 HydrophobicContact CB-CD1 4.15Å; E283-I288 HydrophobicContact CB-CD1 3.61Å; E283-I288 HydrophobicContact CG-CD1 4.5Å; N284-I288 VanDerWaalsContact O-CG1 3.3Å; N284-I288 WeakPolarHBondContact O-CG1 3.42Å; N284-I288 PolarHBondContact O-N 3.16Å; I288-Q290 VanDerWaalsContact C-N 3.34Å; I288-Q290 PolarHBondContact O-N 2.97Å; I288-E291 PolarHBondContact O-N 2.77Å; I288-Q292 HydrophobicContact CG2-CG 4.02Å; I288-Q292 VanDerWaalsContact O-CB 3.31Å; I288-Q292 WeakPolarHBondContact O-CB 3.22Å; I288-Q292 VanDerWaalsContact O-CG 3.27Å; I288-Q292 WeakPolarHBondContact O-CG 3.46Å; I288-Q292 PolarHBondContact O-N 3.37Å; I288-R310 HydrophobicContact CD1-CG 4.32Å; I288-R310 HydrophobicContact CG1-CG 4.02Å; I288-R310 HydrophobicContact CG2-CG 3.99Å; I288-L314 HydrophobicContact CG1-CD2 3.91Å
289	A	98.6	Very high	98.6	Very high	33 Å²	33	47.7 Å²	47.7	27%	0.273	25%	0.247	S	C	.	.	H	α-helix	trans	-63.8	-36.9	-178.5	0	0	0	0	0	112.9	K254 G285 D286 L287 K293	K254-A289 HydrophobicContact CB-CB 4.29Å; K254-A289 HydrophobicContact CD-CB 4.02Å; G285-A289 WeakPolarHBondContact O-CB 3.4Å; G285-A289 PolarHBondContact O-N 3.46Å; G285-A289 VanDerWaalsContact O-N 3.1Å; D286-A289 PolarHBondContact O-N 3.37Å; L287-A289 VanDerWaalsContact C-N 3.3Å; L287-A289 PolarHBondContact O-N 3.38Å; A289-K293 PolarHBondContact O-N 3.37Å
290	Q	98.5	Very high	98.6	Very high	114 Å²	114	49.5 Å²	49.5	53%	0.533	26%	0.256	S	S	.	.	H	α-helix	trans	-68.6	-46.1	174	-64.6	-58.3	-38	0	0	111.7	D286 L287 I288 K293 R294	D286-Q290 WeakPolarHBondContact O-CG 3.41Å; D286-Q290 PolarHBondContact O-N 3.34Å; L287-Q290 PolarHBondContact O-N 3.48Å; I288-Q290 VanDerWaalsContact C-N 3.34Å; I288-Q290 PolarHBondContact O-N 2.97Å; Q290-K293 PolarHBondContact O-N 3.17Å; Q290-R294 WeakPolarHBondContact O-CB 3.36Å; Q290-R294 PolarHBondContact O-N 3.28Å
291	E	98.6	Very high	98.6	Very high	47 Å²	47	52.2 Å²	52.2	22%	0.22	27%	0.273	C	S	.	.	H	α-helix	trans	-70.1	-38.4	-176.9	-71.6	-63.4	102.4	0	0	112.1	L287 I288 K293 R294 I295	L287-E291 WeakPolarHBondContact O-CB 3.26Å; L287-E291 WeakPolarHBondContact O-CG 3.37Å; L287-E291 PolarHBondContact O-N 2.92Å; I288-E291 PolarHBondContact O-N 2.77Å; E291-K293 VanDerWaalsContact C-N 3.32Å; E291-K293 PolarHBondContact O-N 3.4Å; E291-R294 VanDerWaalsContact CD-NE 3.27Å; E291-R294 PolarHBondContact O-N 3.45Å; E291-R294 WeakPolarHBondContact OE1-CD 3.49Å; E291-R294 IonicContact OE1-CZ 3.67Å; E291-R294 IonicContact OE1-NE 2.76Å; E291-R294 PolarHBondContact OE1-NE 3.07Å; E291-R294 IonicContact OE1-NH2 3.76Å; E291-R294 IonicContact OE2-CZ 3.32Å; E291-R294 IonicContact OE2-NE 3.23Å; E291-R294 PolarHBondContact OE2-NE 3.39Å; E291-R294 IonicContact OE2-NH2 2.69Å; E291-R294 PolarHBondContact OE2-NH2 3.08Å; E291-I295 WeakPolarHBondContact O-CB 3.25Å; E291-I295 WeakPolarHBondContact O-CG1 3.49Å; E291-I295 PolarHBondContact O-N 3.39Å
292	Q	98.6	Very high	98.6	Very high	38 Å²	38	52.7 Å²	52.7	18%	0.178	28%	0.277	C	S	.	.	H	α-helix	trans	-56.2	-47.1	172	-78.7	-173.7	-37.4	0	0	111.4	I288 L296 S309 R310 F431 T432	I288-Q292 HydrophobicContact CG2-CG 4.02Å; I288-Q292 VanDerWaalsContact O-CB 3.31Å; I288-Q292 WeakPolarHBondContact O-CB 3.22Å; I288-Q292 VanDerWaalsContact O-CG 3.27Å; I288-Q292 WeakPolarHBondContact O-CG 3.46Å; I288-Q292 PolarHBondContact O-N 3.37Å; Q292-L296 VanDerWaalsContact O-CG 3.32Å; Q292-L296 WeakPolarHBondContact O-CG 2.77Å; Q292-L296 PolarHBondContact O-N 2.77Å; Q292-L296 VanDerWaalsContact O-N 3.11Å; Q292-S309 WeakPolarHBondContact CG-OG 3.49Å; Q292-R310 VanDerWaalsContact NE2-NH2 3.12Å; Q292-F431 HydrophobicContact CB-CZ 4.45Å; Q292-F431 HydrophobicContact CG-CE2 4.02Å; Q292-F431 HydrophobicContact CG-CZ 4.28Å; Q292-T432 HydrophobicContact CB-CG2 3.99Å; Q292-T432 HydrophobicContact CG-CG2 3.99Å
293	K	98.5	Very high	98.6	Very high	117 Å²	117	52.7 Å²	52.7	51%	0.509	28%	0.277	S	S	.	.	H	α-helix	trans	-61.3	-48.9	175	178	-178.2	168.5	-175.7	0	111.4	A289 Q290 E291 I295 L296 E297	A289-K293 PolarHBondContact O-N 3.37Å; Q290-K293 PolarHBondContact O-N 3.17Å; E291-K293 VanDerWaalsContact C-N 3.32Å; E291-K293 PolarHBondContact O-N 3.4Å; K293-I295 PolarHBondContact O-N 3.2Å; K293-L296 PolarHBondContact O-N 2.98Å; K293-E297 WeakPolarHBondContact CE-OE1 3.48Å; K293-E297 HydrophobicContact CG-CG 4.43Å; K293-E297 IonicContact NZ-OE1 2.73Å; K293-E297 WeakPolarHBondContact O-CG 3.24Å; K293-E297 PolarHBondContact O-N 2.82Å
294	R	98.6	Very high	98.6	Very high	99 Å²	99	55.2 Å²	55.2	37%	0.374	29%	0.289	S	S	.	.	H	α-helix	trans	-59.4	-43.1	-178.8	-170.2	-173.6	66.7	69.7	-2.1	112.4	Q290 E291 E297 M298	Q290-R294 WeakPolarHBondContact O-CB 3.36Å; Q290-R294 PolarHBondContact O-N 3.28Å; E291-R294 VanDerWaalsContact CD-NE 3.27Å; E291-R294 PolarHBondContact O-N 3.45Å; E291-R294 WeakPolarHBondContact OE1-CD 3.49Å; E291-R294 IonicContact OE1-CZ 3.67Å; E291-R294 IonicContact OE1-NE 2.76Å; E291-R294 PolarHBondContact OE1-NE 3.07Å; E291-R294 IonicContact OE1-NH2 3.76Å; E291-R294 IonicContact OE2-CZ 3.32Å; E291-R294 IonicContact OE2-NE 3.23Å; E291-R294 PolarHBondContact OE2-NE 3.39Å; E291-R294 IonicContact OE2-NH2 2.69Å; E291-R294 PolarHBondContact OE2-NH2 3.08Å; R294-E297 PolarHBondContact O-N 3.35Å; R294-M298 PolarHBondContact NH1-SD 3.32Å; R294-M298 WeakPolarHBondContact O-CG 3.47Å; R294-M298 PolarHBondContact O-N 3.06Å; R294-M298 VanDerWaalsContact O-N 3.16Å
295	I	98.8	Very high	98.6	Very high	4 Å²	4	54.4 Å²	54.4	2%	0.021	29%	0.285	C	S	.	.	H	α-helix	trans	-67.8	-41	179.5	-68.9	-65.1	0	0	0	110.9	E291 K293 M298 I300 L308 F431	E291-I295 WeakPolarHBondContact O-CB 3.25Å; E291-I295 WeakPolarHBondContact O-CG1 3.49Å; E291-I295 PolarHBondContact O-N 3.39Å; K293-I295 PolarHBondContact O-N 3.2Å; I295-M298 WeakPolarHBondContact O-CB 3.38Å; I295-M298 PolarHBondContact O-N 2.9Å; I295-I300 HydrophobicContact CD1-CD1 4.43Å; I295-I300 HydrophobicContact CG2-CB 3.71Å; I295-I300 HydrophobicContact CG2-CD1 4.45Å; I295-I300 HydrophobicContact CG2-CG2 3.8Å; I295-I300 PolarHBondContact O-N 3.22Å; I295-L308 HydrophobicContact CD1-CB 3.89Å; I295-L308 HydrophobicContact CG1-CB 4.33Å; I295-F431 HydrophobicContact CB-CE1 4.4Å; I295-F431 HydrophobicContact CB-CZ 4.29Å; I295-F431 HydrophobicContact CG2-CE1 3.66Å; I295-F431 HydrophobicContact CG2-CZ 3.88Å
296	L	98.6	Very high	98.6	Very high	53 Å²	53	54.3 Å²	54.3	28%	0.277	28%	0.284	S	S	.	.	H	α-helix	trans	-65.8	-39.4	173.3	-70.7	172.4	0	0	0	112.7	Q292 K293 M298 G299 T301 N430 F431 T432	Q292-L296 VanDerWaalsContact O-CG 3.32Å; Q292-L296 WeakPolarHBondContact O-CG 2.77Å; Q292-L296 PolarHBondContact O-N 2.77Å; Q292-L296 VanDerWaalsContact O-N 3.11Å; K293-L296 PolarHBondContact O-N 2.98Å; L296-M298 PolarHBondContact O-N 3.1Å; L296-G299 WeakPolarHBondContact O-CA 3.46Å; L296-G299 PolarHBondContact O-N 2.85Å; L296-T301 HydrophobicContact CD2-CG2 4.12Å; L296-N430 WeakPolarHBondContact CD2-OD1 3.49Å; L296-F431 HydrophobicContact CD2-CD1 3.94Å; L296-F431 HydrophobicContact CD2-CE1 3.65Å; L296-F431 HydrophobicContact CG-CE1 3.81Å; L296-F431 HydrophobicContact CG-CZ 4.38Å; L296-T432 HydrophobicContact CD1-CG2 3.9Å
297	E	98.6	Very high	98.6	Very high	140 Å²	140	51.5 Å²	51.5	65%	0.654	27%	0.27	S	S	*	.	H	α-helix	trans	-63.9	-24.3	174.7	-75.5	176.7	166.7	0	0	112.8	K293 R294 G299	K293-E297 WeakPolarHBondContact CE-OE1 3.48Å; K293-E297 HydrophobicContact CG-CG 4.43Å; K293-E297 IonicContact NZ-OE1 2.73Å; K293-E297 WeakPolarHBondContact O-CG 3.24Å; K293-E297 PolarHBondContact O-N 2.82Å; R294-E297 PolarHBondContact O-N 3.35Å; E297-G299 VanDerWaalsContact C-N 3.25Å; E297-G299 PolarHBondContact O-N 3.2Å
298	M	98.5	Very high	98.6	Very high	119 Å²	119	51 Å²	51	59%	0.586	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-1.8	170.3	-68.7	174	61.9	0	0	113.9	R294 I295 L296 I300	R294-M298 PolarHBondContact NH1-SD 3.32Å; R294-M298 WeakPolarHBondContact O-CG 3.47Å; R294-M298 PolarHBondContact O-N 3.06Å; R294-M298 VanDerWaalsContact O-N 3.16Å; I295-M298 WeakPolarHBondContact O-CB 3.38Å; I295-M298 PolarHBondContact O-N 2.9Å; L296-M298 PolarHBondContact O-N 3.1Å; M298-I300 VanDerWaalsContact C-N 3.33Å; M298-I300 HydrophobicContact CB-CD1 4.36Å; M298-I300 HydrophobicContact CB-CG1 4.36Å; M298-I300 HydrophobicContact CE-CD1 4.23Å
299	G	98.4	Very high	98.6	Very high	57 Å²	57	50.6 Å²	50.6	59%	0.588	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.6	12.4	-176.9	0	0	0	0	0	114.6	L296 E297 T301	L296-G299 WeakPolarHBondContact O-CA 3.46Å; L296-G299 PolarHBondContact O-N 2.85Å; E297-G299 VanDerWaalsContact C-N 3.25Å; E297-G299 PolarHBondContact O-N 3.2Å; G299-T301 PolarHBondContact O-N 2.7Å
300	I	98.8	Very high	98.6	Very high	39 Å²	39	49.5 Å²	49.5	20%	0.2	25%	0.254	C	S	.	.			trans	-87.2	102.6	176.3	-58.2	171.4	0	0	0	107.9	I295 M298 E304 L308 F431	I295-I300 HydrophobicContact CD1-CD1 4.43Å; I295-I300 HydrophobicContact CG2-CB 3.71Å; I295-I300 HydrophobicContact CG2-CD1 4.45Å; I295-I300 HydrophobicContact CG2-CG2 3.8Å; I295-I300 PolarHBondContact O-N 3.22Å; M298-I300 VanDerWaalsContact C-N 3.33Å; M298-I300 HydrophobicContact CB-CD1 4.36Å; M298-I300 HydrophobicContact CB-CG1 4.36Å; M298-I300 HydrophobicContact CE-CD1 4.23Å; I300-E304 HydrophobicContact CG2-CG 4.05Å; I300-L308 HydrophobicContact CD1-CD1 4.3Å; I300-L308 HydrophobicContact CG2-CD1 4.49Å; I300-F431 WeakPolarHBondContact O-CE1 3.46Å
301	T	98.6	Very high	98.5	Very high	57 Å²	57	46.3 Å²	46.3	35%	0.35	24%	0.243	S	C	.	.			trans	-111.6	-10.8	-176.7	56.8	0	0	0	0	114.1	L296 G299 D429 F431	L296-T301 HydrophobicContact CD2-CG2 4.12Å; G299-T301 PolarHBondContact O-N 2.7Å; T301-D429 VanDerWaalsContact CB-O 3.31Å; T301-D429 WeakPolarHBondContact CB-O 3.44Å; T301-D429 WeakPolarHBondContact CG2-O 3.31Å; T301-F431 PolarHBondContact O-N 3.12Å
302	G	98.6	Very high	98.5	Very high	9 Å²	9	46.4 Å²	46.4	9%	0.093	24%	0.244	C	C	.	.	S	Bend	trans	-78	171.3	-179.9	0	0	0	0	0	113.9	E304 G305 F431	G302-E304 VanDerWaalsContact CA-OE2 3.29Å; G302-E304 WeakPolarHBondContact CA-OE2 3.26Å; G302-E304 PolarHBondContact O-N 3.09Å; G302-E304 VanDerWaalsContact O-N 3.11Å; G302-G305 WeakPolarHBondContact O-CA 3.32Å; G302-G305 PolarHBondContact O-N 3.3Å; G302-F431 WeakPolarHBondContact O-CB 3.34Å
303	P	98.7	Very high	98.5	Very high	3 Å²	3	50.3 Å²	50.3	2%	0.019	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-24	-176.2	-25.2	36.8	0	0	0	114.8	G305 H306 A381 A382 V385 I434	P303-G305 PolarHBondContact O-N 3.45Å; P303-H306 VanDerWaalsContact O-CB 3.26Å; P303-H306 WeakPolarHBondContact O-CB 3.2Å; P303-H306 PolarHBondContact O-N 3.28Å; P303-A381 HydrophobicContact CB-CB 3.89Å; P303-A381 HydrophobicContact CG-CB 3.76Å; P303-A382 HydrophobicContact CG-CB 4.03Å; P303-V385 HydrophobicContact CB-CG2 3.88Å; P303-I434 HydrophobicContact CB-CD1 4.35Å; P303-I434 HydrophobicContact CG-CD1 3.96Å
304	E	98.8	Very high	98.5	Very high	54 Å²	54	45.5 Å²	45.5	25%	0.252	24%	0.242	S	C	.	.	H	α-helix	trans	-58.3	-30.7	169.7	71.5	-71.5	173.6	0	0	112.8	I300 G302 H306 A307 L308 W374	I300-E304 HydrophobicContact CG2-CG 4.05Å; G302-E304 VanDerWaalsContact CA-OE2 3.29Å; G302-E304 WeakPolarHBondContact CA-OE2 3.26Å; G302-E304 PolarHBondContact O-N 3.09Å; G302-E304 VanDerWaalsContact O-N 3.11Å; E304-H306 PolarHBondContact O-N 3.3Å; E304-A307 PolarHBondContact O-N 3.03Å; E304-L308 WeakPolarHBondContact O-CB 3.44Å; E304-L308 VanDerWaalsContact O-CG 3.23Å; E304-L308 WeakPolarHBondContact O-CG 3.32Å; E304-L308 PolarHBondContact O-N 2.67Å; E304-W374 HydrophobicContact CB-CD2 4.18Å; E304-W374 HydrophobicContact CB-CG 4.34Å; E304-W374 HydrophobicContact CB-CZ2 4.21Å
305	G	98.7	Very high	98.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.4	-30.7	173.3	0	0	0	0	0	113.1	G302 P303 S309 F431	G302-G305 WeakPolarHBondContact O-CA 3.32Å; G302-G305 PolarHBondContact O-N 3.3Å; P303-G305 PolarHBondContact O-N 3.45Å; G305-S309 VanDerWaalsContact O-CB 3.25Å; G305-S309 WeakPolarHBondContact O-CB 3.45Å; G305-S309 PolarHBondContact O-N 2.91Å; G305-S309 PolarHBondContact O-OG 3.29Å; G305-F431 VanDerWaalsContact O-CE2 3.29Å; G305-F431 WeakPolarHBondContact O-CE2 3.47Å; G305-F431 WeakPolarHBondContact O-CZ 3.38Å
306	H	98.6	Very high	98.5	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-63.9	-53.8	177	-176.1	80.2	0	0	0	110.9	P303 E304 L308 S309 R310 T386 F431 E436	P303-H306 VanDerWaalsContact O-CB 3.26Å; P303-H306 WeakPolarHBondContact O-CB 3.2Å; P303-H306 PolarHBondContact O-N 3.28Å; E304-H306 PolarHBondContact O-N 3.3Å; H306-L308 PolarHBondContact O-N 3.29Å; H306-S309 PolarHBondContact O-N 3.26Å; H306-S309 PolarHBondContact O-OG 3.07Å; H306-R310 PolarHBondContact CE1-NH2 3.45Å; H306-R310 PolarHBondContact O-N 3.41Å; H306-T386 PolarHBondContact NE2-O 3.46Å; H306-F431 HydrophobicContact CB-CD2 3.76Å; H306-F431 HydrophobicContact CB-CE2 4.4Å; H306-F431 HydrophobicContact CB-CG 4.48Å; H306-E436 IonicContact CE1-OE1 2.8Å
307	A	98.1	Very high	98.5	Very high	9 Å²	9	42 Å²	42	7%	0.074	23%	0.23	C	C	.	.	H	α-helix	trans	-62.9	-42.2	177.3	0	0	0	0	0	112.2	E304 S309 R310 Y373 W374 P389	E304-A307 PolarHBondContact O-N 3.03Å; A307-S309 PolarHBondContact O-N 3.41Å; A307-R310 CarbonylContact O-C 3.03Å; A307-R310 PolarHBondContact O-N 3.17Å; A307-R310 VanDerWaalsContact O-N 3.14Å; A307-Y373 HydrophobicContact CB-CD2 3.53Å; A307-Y373 HydrophobicContact CB-CE2 3.89Å; A307-Y373 HydrophobicContact CB-CG 4.13Å; A307-W374 HydrophobicContact CB-CH2 4.09Å; A307-W374 HydrophobicContact CB-CZ3 4.43Å; A307-P389 HydrophobicContact CB-CB 4.24Å
308	L	98.6	Very high	98.5	Very high	69 Å²	69	35.4 Å²	35.4	36%	0.361	20%	0.199	S	C	.	.	H	α-helix	trans	-64.1	-28	176.4	-71	170.1	0	0	0	113.3	I295 I300 E304 H306 R310 W374	I295-L308 HydrophobicContact CD1-CB 3.89Å; I295-L308 HydrophobicContact CG1-CB 4.33Å; I300-L308 HydrophobicContact CD1-CD1 4.3Å; I300-L308 HydrophobicContact CG2-CD1 4.49Å; E304-L308 WeakPolarHBondContact O-CB 3.44Å; E304-L308 VanDerWaalsContact O-CG 3.23Å; E304-L308 WeakPolarHBondContact O-CG 3.32Å; E304-L308 PolarHBondContact O-N 2.67Å; H306-L308 PolarHBondContact O-N 3.29Å; L308-R310 VanDerWaalsContact C-N 3.32Å; L308-W374 HydrophobicContact CD1-CZ2 4.48Å; L308-W374 HydrophobicContact CD2-CZ2 4.15Å; L308-W374 HydrophobicContact CG-CZ2 4.09Å
309	S	98.4	Very high	98.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-8.7	176.4	73.3	0	0	0	0	114.5	Q292 G305 H306 A307	Q292-S309 WeakPolarHBondContact CG-OG 3.49Å; G305-S309 VanDerWaalsContact O-CB 3.25Å; G305-S309 WeakPolarHBondContact O-CB 3.45Å; G305-S309 PolarHBondContact O-N 2.91Å; G305-S309 PolarHBondContact O-OG 3.29Å; H306-S309 PolarHBondContact O-N 3.26Å; H306-S309 PolarHBondContact O-OG 3.07Å; A307-S309 PolarHBondContact O-N 3.41Å
310	R	98.3	Very high	98.6	Very high	10 Å²	10	32.7 Å²	32.7	4%	0.038	17%	0.168	C	C	.	.	S	Bend	trans	-139.9	57.1	-174.7	-49.2	-170.9	-173.5	-177.8	11.1	111.3	E283 I288 Q292 H306 A307 L308 S387 P389 E436	E283-R310 WeakPolarHBondContact OE1-CD 3.48Å; I288-R310 HydrophobicContact CD1-CG 4.32Å; I288-R310 HydrophobicContact CG1-CG 4.02Å; I288-R310 HydrophobicContact CG2-CG 3.99Å; Q292-R310 VanDerWaalsContact NE2-NH2 3.12Å; H306-R310 PolarHBondContact CE1-NH2 3.45Å; H306-R310 PolarHBondContact O-N 3.41Å; A307-R310 CarbonylContact O-C 3.03Å; A307-R310 PolarHBondContact O-N 3.17Å; A307-R310 VanDerWaalsContact O-N 3.14Å; L308-R310 VanDerWaalsContact C-N 3.32Å; R310-S387 PolarHBondContact NH1-OG 2.82Å; R310-P389 HydrophobicContact CB-CG 3.9Å; R310-P389 VanDerWaalsContact O-CG 3.23Å; R310-P389 WeakPolarHBondContact O-CG 3.37Å; R310-E436 IonicContact CZ-OE1 3.34Å; R310-E436 VanDerWaalsContact CZ-OE1 3.32Å; R310-E436 IonicContact NH1-OE1 2.96Å; R310-E436 PolarHBondContact NH1-OE1 3.03Å; R310-E436 VanDerWaalsContact NH1-OE1 3.1Å; R310-E436 IonicContact NH1-OE2 3.57Å; R310-E436 IonicContact NH2-OE1 2.91Å; R310-E436 PolarHBondContact NH2-OE1 2.89Å
311	P	97.8	Very high	98.6	Very high	47 Å²	47	32.8 Å²	32.8	31%	0.305	17%	0.165	S	C	.	.			trans	-67.8	156.5	179.3	34.7	-37.5	0	0	0	110	E313 L314	P311-E313 WeakPolarHBondContact CB-OE2 3.32Å; P311-E313 PolarHBondContact O-N 2.79Å; P311-L314 HydrophobicContact CG-CD1 4.05Å; P311-L314 PolarHBondContact O-N 3.14Å
312	E	97.9	Very high	98.6	Very high	50 Å²	50	30 Å²	30	23%	0.234	15%	0.149	C	C	.	.	H	α-helix	trans	-63.1	-17.6	-162.8	57.2	172.1	-104.8	0	0	115.4	L314 E315 A316 S342 S391	E312-L314 PolarHBondContact O-N 3.25Å; E312-E315 PolarHBondContact O-N 2.86Å; E312-A316 WeakPolarHBondContact O-CB 3.36Å; E312-A316 PolarHBondContact O-N 3.46Å; E312-S342 VanDerWaalsContact OE1-CB 3.3Å; E312-S342 WeakPolarHBondContact OE1-CB 3.2Å; E312-S342 PolarHBondContact OE1-OG 3.41Å; E312-S391 PolarHBondContact OE2-OG 2.87Å; E312-S391 VanDerWaalsContact OE2-OG 3.11Å
313	E	98.6	Very high	98.6	Very high	120 Å²	120	30.2 Å²	30.2	56%	0.561	15%	0.147	S	C	*	.	H	α-helix	trans	-61.5	-28.3	172.8	-56.5	87.8	165.1	0	0	112.6	P311 E317	P311-E313 WeakPolarHBondContact CB-OE2 3.32Å; P311-E313 PolarHBondContact O-N 2.79Å; E313-E317 WeakPolarHBondContact O-CB 3.41Å; E313-E317 PolarHBondContact O-N 3.35Å
314	L	98.8	Very high	98.6	Very high	16 Å²	16	33.1 Å²	33.1	8%	0.084	17%	0.165	C	C	.	.	H	α-helix	trans	-77.5	-30	178.6	-81.4	59.7	0	0	0	112.4	E283 N284 L287 I288 P311 E312 A318	E283-L314 CarbonylContact C-O 3.53Å; E283-L314 WeakPolarHBondContact CA-O 3.46Å; N284-L314 HydrophobicContact CB-CB 4.24Å; N284-L314 HydrophobicContact CB-CG 4.21Å; N284-L314 PolarHBondContact N-O 3.3Å; L287-L314 HydrophobicContact CB-CD1 4.47Å; L287-L314 HydrophobicContact CB-CD2 3.57Å; L287-L314 HydrophobicContact CB-CG 3.88Å; L287-L314 HydrophobicContact CD1-CD1 4.22Å; L287-L314 HydrophobicContact CD1-CG 4.13Å; I288-L314 HydrophobicContact CG1-CD2 3.91Å; P311-L314 HydrophobicContact CG-CD1 4.05Å; P311-L314 PolarHBondContact O-N 3.14Å; E312-L314 PolarHBondContact O-N 3.25Å; L314-A318 WeakPolarHBondContact O-CB 3.27Å
315	E	98.9	Very high	98.6	Very high	8 Å²	8	31.4 Å²	31.4	4%	0.037	16%	0.158	C	C	.	.	H	α-helix	trans	-70.1	-50.6	168	-171.5	-165.7	178.3	0	0	109.1	A282 E312 E317 A318 V319 V338 M339 S340 A343 P388	A282-E315 WeakPolarHBondContact O-CA 3.37Å; E312-E315 PolarHBondContact O-N 2.86Å; E315-E317 PolarHBondContact O-N 3.25Å; E315-A318 PolarHBondContact O-N 3Å; E315-V319 HydrophobicContact CG-CG2 4.4Å; E315-V319 WeakPolarHBondContact O-CB 3.32Å; E315-V319 VanDerWaalsContact O-CG2 3.32Å; E315-V319 WeakPolarHBondContact O-CG2 3.32Å; E315-V319 PolarHBondContact O-N 3.2Å; E315-V338 WeakPolarHBondContact OE1-CA 3.32Å; E315-M339 PolarHBondContact OE1-N 2.85Å; E315-S340 WeakPolarHBondContact OE2-CB 3.23Å; E315-S340 PolarHBondContact OE2-N 2.56Å; E315-S340 PolarHBondContact OE2-OG 3.44Å; E315-A343 HydrophobicContact CB-CB 4.46Å; E315-A343 HydrophobicContact CG-CB 3.73Å; E315-A343 WeakPolarHBondContact OE1-CB 3.26Å; E315-P388 HydrophobicContact CG-CB 4.31Å; E315-P388 HydrophobicContact CG-CG 3.96Å
316	A	98.8	Very high	98.5	Very high	9 Å²	9	31.6 Å²	31.6	7%	0.074	16%	0.159	C	C	.	.	H	α-helix	trans	-57.9	-45.8	-177.8	0	0	0	0	0	113.3	E312 V319 F320 I346	E312-A316 WeakPolarHBondContact O-CB 3.36Å; E312-A316 PolarHBondContact O-N 3.46Å; A316-V319 PolarHBondContact O-N 2.95Å; A316-F320 WeakPolarHBondContact O-CB 3.48Å; A316-F320 PolarHBondContact O-N 3.41Å; A316-I346 HydrophobicContact CB-CD1 3.68Å; A316-I346 WeakPolarHBondContact O-CD1 3.45Å
317	E	98.8	Very high	98.4	Very high	66 Å²	66	33.5 Å²	33.5	31%	0.308	18%	0.179	S	C	.	.	H	α-helix	trans	-59.7	-50	176.1	-173.6	-75.2	134.3	0	0	111.6	N284 E313 E315 V319 F320 R321	N284-E317 PolarHBondContact ND2-OE2 3.42Å; E313-E317 WeakPolarHBondContact O-CB 3.41Å; E313-E317 PolarHBondContact O-N 3.35Å; E315-E317 PolarHBondContact O-N 3.25Å; E317-V319 PolarHBondContact O-N 3.29Å; E317-F320 WeakPolarHBondContact O-CB 3.46Å; E317-F320 PolarHBondContact O-N 2.89Å; E317-R321 WeakPolarHBondContact O-CB 3.44Å; E317-R321 PolarHBondContact O-N 3.22Å; E317-R321 IonicContact OE1-CZ 3.63Å; E317-R321 IonicContact OE1-NE 2.59Å; E317-R321 PolarHBondContact OE1-NE 3.36Å; E317-R321 IonicContact OE1-NH2 3.37Å; E317-R321 IonicContact OE2-CZ 3.77Å; E317-R321 IonicContact OE2-NE 3.77Å; E317-R321 PolarHBondContact OE2-NE 3.37Å; E317-R321 IonicContact OE2-NH2 3.89Å; E317-R321 PolarHBondContact OE2-NH2 3.2Å
318	A	98.9	Very high	98.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64.6	-40.6	-178.1	0	0	0	0	0	111.6	M251 A282 E283 L314 E315 R321 A322	M251-A318 HydrophobicContact CB-CB 4.44Å; M251-A318 HydrophobicContact CE-CB 3.86Å; M251-A318 WeakPolarHBondContact CE-O 3.44Å; M251-A318 HydrophobicContact SD-CB 4.03Å; A282-A318 VanDerWaalsContact C-CB 3.44Å; A282-A318 HydrophobicContact CB-CB 4.02Å; E283-A318 VanDerWaalsContact C-CB 3.48Å; L314-A318 WeakPolarHBondContact O-CB 3.27Å; E315-A318 PolarHBondContact O-N 3Å; A318-R321 PolarHBondContact O-N 3.46Å; A318-A322 WeakPolarHBondContact O-CB 3.38Å; A318-A322 PolarHBondContact O-N 2.78Å
319	V	98.9	Very high	98	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-60.5	-45.9	173.7	168.9	0	0	0	0	111.1	A282 E315 A316 E317 R321 I323 I335 A343 I346 I347	A282-V319 HydrophobicContact CB-CG2 3.6Å; E315-V319 HydrophobicContact CG-CG2 4.4Å; E315-V319 WeakPolarHBondContact O-CB 3.32Å; E315-V319 VanDerWaalsContact O-CG2 3.32Å; E315-V319 WeakPolarHBondContact O-CG2 3.32Å; E315-V319 PolarHBondContact O-N 3.2Å; A316-V319 PolarHBondContact O-N 2.95Å; E317-V319 PolarHBondContact O-N 3.29Å; V319-R321 VanDerWaalsContact C-N 3.35Å; V319-R321 PolarHBondContact O-N 3.09Å; V319-I323 HydrophobicContact CG1-CD1 3.69Å; V319-I323 WeakPolarHBondContact O-CB 3.32Å; V319-I323 WeakPolarHBondContact O-CD1 3.11Å; V319-I323 WeakPolarHBondContact O-CG1 3.45Å; V319-I323 PolarHBondContact O-N 2.63Å; V319-I335 HydrophobicContact CG1-CG1 4.3Å; V319-I335 HydrophobicContact CG2-CG2 3.73Å; V319-A343 HydrophobicContact CG2-CB 4.16Å; V319-I346 HydrophobicContact CG1-CB 4.35Å; V319-I346 HydrophobicContact CG1-CG2 3.97Å; V319-I347 HydrophobicContact CG1-CD1 4.28Å; V319-I347 HydrophobicContact CG1-CG1 3.82Å
320	F	98.8	Very high	97.9	Very high	119 Å²	119	41.3 Å²	41.3	52%	0.522	21%	0.205	S	C	.	.	H	α-helix	trans	-60.1	-43.2	175.7	175.6	-100.1	0	0	0	112.4	A316 E317 T324 I346	A316-F320 WeakPolarHBondContact O-CB 3.48Å; A316-F320 PolarHBondContact O-N 3.41Å; E317-F320 WeakPolarHBondContact O-CB 3.46Å; E317-F320 PolarHBondContact O-N 2.89Å; F320-T324 WeakPolarHBondContact O-CB 3.36Å; F320-T324 PolarHBondContact O-N 2.95Å; F320-T324 PolarHBondContact O-OG1 3.36Å; F320-I346 HydrophobicContact CB-CD1 4.28Å; F320-I346 HydrophobicContact CB-CG2 3.91Å; F320-I346 HydrophobicContact CD2-CG2 4.29Å
321	R	98.8	Very high	97.8	Very high	41 Å²	41	41 Å²	41	16%	0.155	20%	0.204	C	C	.	.	H	α-helix	trans	-68.7	-44.8	179.9	178.1	156.7	49.7	95.2	2	112.2	M251 D261 N284 E317 A318 V319 I323 T324 I325	M251-R321 HydrophobicContact CE-CB 4.09Å; M251-R321 HydrophobicContact CE-CG 4.03Å; D261-R321 WeakPolarHBondContact OD1-CD 3.4Å; D261-R321 IonicContact OD1-CZ 3.68Å; D261-R321 IonicContact OD1-NE 2.77Å; D261-R321 IonicContact OD1-NH1 3.09Å; D261-R321 PolarHBondContact OD1-NH1 3.32Å; D261-R321 WeakPolarHBondContact OD2-CD 3.34Å; N284-R321 PolarHBondContact ND2-NH2 3.03Å; E317-R321 WeakPolarHBondContact O-CB 3.44Å; E317-R321 PolarHBondContact O-N 3.22Å; E317-R321 IonicContact OE1-CZ 3.63Å; E317-R321 IonicContact OE1-NE 2.59Å; E317-R321 PolarHBondContact OE1-NE 3.36Å; E317-R321 IonicContact OE1-NH2 3.37Å; E317-R321 IonicContact OE2-CZ 3.77Å; E317-R321 IonicContact OE2-NE 3.77Å; E317-R321 PolarHBondContact OE2-NE 3.37Å; E317-R321 IonicContact OE2-NH2 3.89Å; E317-R321 PolarHBondContact OE2-NH2 3.2Å; A318-R321 PolarHBondContact O-N 3.46Å; V319-R321 VanDerWaalsContact C-N 3.35Å; V319-R321 PolarHBondContact O-N 3.09Å; R321-I323 PolarHBondContact O-N 3.04Å; R321-T324 WeakPolarHBondContact O-CB 3.46Å; R321-T324 PolarHBondContact O-N 2.96Å; R321-T324 VanDerWaalsContact O-N 3.13Å; R321-I325 HydrophobicContact CG-CD1 4.07Å; R321-I325 WeakPolarHBondContact O-CG1 3.47Å; R321-I325 PolarHBondContact O-N 2.87Å
322	A	98.8	Very high	97.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-56.6	-48.3	173.6	0	0	0	0	0	112.1	M251 V280 A318 T324 I325 A326 I335	M251-A322 HydrophobicContact SD-CB 3.79Å; V280-A322 HydrophobicContact CG1-CB 4.05Å; A318-A322 WeakPolarHBondContact O-CB 3.38Å; A318-A322 PolarHBondContact O-N 2.78Å; A322-T324 VanDerWaalsContact C-N 3.3Å; A322-T324 PolarHBondContact O-N 3.02Å; A322-I325 PolarHBondContact O-N 2.83Å; A322-A326 WeakPolarHBondContact O-CB 3.35Å; A322-A326 PolarHBondContact O-N 3.16Å; A322-I335 HydrophobicContact CB-CD1 4.34Å
323	I	98.6	Very high	97.7	Very high	13 Å²	13	36.5 Å²	36.5	7%	0.067	18%	0.179	C	C	.	.	H	α-helix	trans	-62.1	-38.7	176.8	-70.5	168.3	0	0	0	111.2	V319 R321 G327 V333 I346 I347 A350 V357	V319-I323 HydrophobicContact CG1-CD1 3.69Å; V319-I323 WeakPolarHBondContact O-CB 3.32Å; V319-I323 WeakPolarHBondContact O-CD1 3.11Å; V319-I323 WeakPolarHBondContact O-CG1 3.45Å; V319-I323 PolarHBondContact O-N 2.63Å; R321-I323 PolarHBondContact O-N 3.04Å; I323-G327 PolarHBondContact O-N 3.02Å; I323-V333 HydrophobicContact CG1-CG1 4.29Å; I323-I346 HydrophobicContact CD1-CG2 4.06Å; I323-I347 HydrophobicContact CD1-CG1 4.23Å; I323-A350 HydrophobicContact CD1-CB 4.03Å; I323-A350 HydrophobicContact CG2-CB 3.66Å; I323-V357 HydrophobicContact CB-CG2 4.35Å; I323-V357 HydrophobicContact CD1-CG1 3.65Å; I323-V357 HydrophobicContact CD1-CG2 4.11Å; I323-V357 HydrophobicContact CG1-CB 4.47Å; I323-V357 HydrophobicContact CG1-CG1 3.79Å; I323-V357 HydrophobicContact CG1-CG2 3.77Å; I323-V357 HydrophobicContact CG2-CG2 3.82Å
324	T	98.5	Very high	97.7	Very high	64 Å²	64	30.8 Å²	30.8	39%	0.393	15%	0.152	S	C	.	.	H	α-helix	trans	-64.7	-48.7	177.9	-63.5	0	0	0	0	111.1	F320 R321 A322 G327 R328	F320-T324 WeakPolarHBondContact O-CB 3.36Å; F320-T324 PolarHBondContact O-N 2.95Å; F320-T324 PolarHBondContact O-OG1 3.36Å; R321-T324 WeakPolarHBondContact O-CB 3.46Å; R321-T324 PolarHBondContact O-N 2.96Å; R321-T324 VanDerWaalsContact O-N 3.13Å; A322-T324 VanDerWaalsContact C-N 3.3Å; A322-T324 PolarHBondContact O-N 3.02Å; T324-G327 PolarHBondContact O-N 3.07Å; T324-R328 WeakPolarHBondContact O-CG 3.44Å; T324-R328 PolarHBondContact O-N 2.91Å
325	I	98.6	Very high	97.7	Very high	18 Å²	18	30 Å²	30	9%	0.092	15%	0.149	C	C	.	.	H	α-helix	trans	-60.2	-50.2	176.9	-64.5	166.7	0	0	0	110.3	D261 L264 Y265 F268 R321 A322 G327 R328 I329	D261-I325 HydrophobicContact CB-CD1 4.27Å; L264-I325 HydrophobicContact CB-CD1 4.09Å; L264-I325 HydrophobicContact CD1-CD1 4.04Å; Y265-I325 HydrophobicContact CD2-CG2 4.34Å; F268-I325 HydrophobicContact CD2-CB 4.41Å; F268-I325 HydrophobicContact CD2-CG2 3.76Å; F268-I325 HydrophobicContact CE2-CB 4.33Å; F268-I325 HydrophobicContact CE2-CG2 4.07Å; R321-I325 HydrophobicContact CG-CD1 4.07Å; R321-I325 WeakPolarHBondContact O-CG1 3.47Å; R321-I325 PolarHBondContact O-N 2.87Å; A322-I325 PolarHBondContact O-N 2.83Å; I325-G327 VanDerWaalsContact C-N 3.29Å; I325-G327 PolarHBondContact O-N 3.15Å; I325-R328 PolarHBondContact O-N 2.96Å; I325-R328 VanDerWaalsContact O-N 3.12Å; I325-I329 HydrophobicContact CG2-CD1 3.89Å; I325-I329 WeakPolarHBondContact O-CG1 3.45Å; I325-I329 PolarHBondContact O-N 2.73Å; I325-I329 VanDerWaalsContact O-N 3.15Å
326	A	97.8	Very high	97.6	Very high	3 Å²	3	29.8 Å²	29.8	3%	0.025	15%	0.147	C	C	.	.	H	α-helix	trans	-59.8	-37.7	177.4	0	0	0	0	0	113	F268 A322 I329 N330 C331 V333	F268-A326 HydrophobicContact CD2-CB 4.05Å; F268-A326 HydrophobicContact CE2-CB 4.05Å; A322-A326 WeakPolarHBondContact O-CB 3.35Å; A322-A326 PolarHBondContact O-N 3.16Å; A326-I329 PolarHBondContact O-N 3.41Å; A326-N330 WeakPolarHBondContact O-CA 3.24Å; A326-N330 PolarHBondContact O-N 2.84Å; A326-C331 VanDerWaalsContact CA-SG 3.52Å; A326-C331 VanDerWaalsContact CB-SG 3.56Å; A326-C331 PolarHBondContact O-N 2.72Å; A326-V333 HydrophobicContact CB-CB 3.71Å; A326-V333 HydrophobicContact CB-CG1 3.8Å; A326-V333 HydrophobicContact CB-CG2 4.32Å
327	G	95.1	Very high	97.6	Very high	41 Å²	41	30 Å²	30	42%	0.423	15%	0.147	S	C	.	.	H	α-helix	trans	-65.1	-37.4	175	0	0	0	0	0	113.4	I323 T324 I325 I329	I323-G327 PolarHBondContact O-N 3.02Å; T324-G327 PolarHBondContact O-N 3.07Å; I325-G327 VanDerWaalsContact C-N 3.29Å; I325-G327 PolarHBondContact O-N 3.15Å; G327-I329 VanDerWaalsContact C-N 3.34Å
328	R	94.5	Very high	97.6	Very high	197 Å²	197	26.9 Å²	26.9	74%	0.743	13%	0.132	S	C	*	.	H	α-helix	trans	-66.5	-35.4	173.5	-66.5	-54.8	-60	169	-0.8	112.4	T324 I325	T324-R328 WeakPolarHBondContact O-CG 3.44Å; T324-R328 PolarHBondContact O-N 2.91Å; I325-R328 PolarHBondContact O-N 2.96Å; I325-R328 VanDerWaalsContact O-N 3.12Å
329	I	95.3	Very high	97.6	Very high	15 Å²	15	27 Å²	27	8%	0.077	13%	0.133	C	C	.	.	H	α-helix	trans	-84.9	-20.3	-178.8	-64.8	166.3	0	0	0	111.8	Y265 F268 K272 I325 A326 G327 C331	Y265-I329 HydrophobicContact CD2-CD1 3.66Å; Y265-I329 HydrophobicContact CD2-CG1 3.81Å; Y265-I329 HydrophobicContact CE2-CD1 3.96Å; Y265-I329 HydrophobicContact CE2-CG1 3.57Å; Y265-I329 HydrophobicContact CG-CD1 4.01Å; Y265-I329 HydrophobicContact CG-CG1 4.5Å; Y265-I329 VanDerWaalsContact O-CD1 3.27Å; Y265-I329 WeakPolarHBondContact O-CD1 3.39Å; F268-I329 HydrophobicContact CB-CD1 3.46Å; F268-I329 VanDerWaalsContact CB-CD1 3.46Å; F268-I329 HydrophobicContact CD2-CD1 4.35Å; F268-I329 HydrophobicContact CG-CD1 4.39Å; K272-I329 HydrophobicContact CD-CG2 3.88Å; K272-I329 PolarHBondContact NZ-O 2.9Å; I325-I329 HydrophobicContact CG2-CD1 3.89Å; I325-I329 WeakPolarHBondContact O-CG1 3.45Å; I325-I329 PolarHBondContact O-N 2.73Å; I325-I329 VanDerWaalsContact O-N 3.15Å; A326-I329 PolarHBondContact O-N 3.41Å; G327-I329 VanDerWaalsContact C-N 3.34Å; I329-C331 HydrophobicContact CG2-CB 4.1Å
330	N	95.1	Very high	97.6	Very high	31 Å²	31	27.1 Å²	27.1	17%	0.166	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	54.9	-168.3	-179.4	51.8	0	0	0	111.6	K272 A326 R568 N569	K272-N330 WeakPolarHBondContact CD-O 3.48Å; K272-N330 WeakPolarHBondContact CE-O 3.42Å; K272-N330 PolarHBondContact NZ-O 3.27Å; A326-N330 WeakPolarHBondContact O-CA 3.24Å; A326-N330 PolarHBondContact O-N 2.84Å; N330-R568 VanDerWaalsContact ND2-CB 3.28Å; N330-R568 WeakPolarHBondContact ND2-CB 3.19Å; N330-R568 VanDerWaalsContact OD1-CD 3.22Å; N330-R568 WeakPolarHBondContact OD1-CD 3.35Å; N330-N569 PolarHBondContact ND2-OD1 3.5Å
331	C	96.1	Very high	97.6	Very high	4 Å²	4	23.4 Å²	23.4	3%	0.027	12%	0.117	C	C	.	.			trans	-109.9	159.9	169.4	64.1	0	0	0	0	110.8	K272 I278 A326 I329	K272-C331 HydrophobicContact CB-CB 3.83Å; K272-C331 HydrophobicContact CD-CB 3.99Å; K272-C331 HydrophobicContact CG-CB 3.98Å; I278-C331 HydrophobicContact CD1-CB 3.87Å; A326-C331 VanDerWaalsContact CA-SG 3.52Å; A326-C331 VanDerWaalsContact CB-SG 3.56Å; A326-C331 PolarHBondContact O-N 2.72Å; I329-C331 HydrophobicContact CG2-CB 4.1Å
332	P	96.1	Very high	97.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.124	C	C	.	.			trans	-72.5	140.8	164.9	31.9	-32.3	0	0	0	110	L356 L561 Y562	P332-L356 WeakPolarHBondContact CA-O 3.35Å; P332-L356 HydrophobicContact CB-CB 4.17Å; P332-L561 HydrophobicContact CB-CB 4.42Å; P332-L561 HydrophobicContact CB-CD1 4.28Å; P332-L561 HydrophobicContact CG-CB 4.5Å; P332-L561 HydrophobicContact CG-CD1 4.37Å; P332-Y562 HydrophobicContact CG-CE2 3.97Å
333	V	97.7	Very high	97.5	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.006	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	138.1	173.6	67.9	0	0	0	0	109.8	F268 V280 I323 A326 I335 L356 V357 F358	F268-V333 HydrophobicContact CE2-CG2 4.5Å; V280-V333 HydrophobicContact CG2-CG2 3.49Å; V280-V333 VanDerWaalsContact CG2-CG2 3.49Å; I323-V333 HydrophobicContact CG1-CG1 4.29Å; A326-V333 HydrophobicContact CB-CB 3.71Å; A326-V333 HydrophobicContact CB-CG1 3.8Å; A326-V333 HydrophobicContact CB-CG2 4.32Å; V333-I335 HydrophobicContact CG2-CD1 4.19Å; V333-L356 PolarHBondContact N-O 2.83Å; V333-V357 HydrophobicContact CG1-CB 4.28Å; V333-V357 HydrophobicContact CG1-CG1 4.22Å; V333-V357 HydrophobicContact CG1-CG2 3.93Å; V333-V357 CarbonylContact O-C 3.53Å; V333-V357 WeakPolarHBondContact O-CA 3.3Å; V333-F358 PolarHBondContact O-N 2.8Å
334	Y	98.7	Very high	97.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	113.9	-176.2	-174.5	-76.4	0	0	0	108.2	V155 I278 L279 V280 T336 F358 E360 V411 I474 F475	V155-Y334 WeakPolarHBondContact CG2-OH 3.4Å; I278-Y334 WeakPolarHBondContact O-CB 3.31Å; I278-Y334 PolarHBondContact O-N 2.98Å; L279-Y334 CarbonylContact C-O 3.17Å; L279-Y334 VanDerWaalsContact CA-O 3.31Å; L279-Y334 WeakPolarHBondContact CA-O 3.48Å; L279-Y334 HydrophobicContact CD2-CD1 4.47Å; L279-Y334 HydrophobicContact CG-CD1 3.96Å; L279-Y334 HydrophobicContact CG-CG 4.44Å; V280-Y334 PolarHBondContact N-O 3.14Å; Y334-T336 HydrophobicContact CD1-CG2 3.86Å; Y334-T336 HydrophobicContact CE1-CG2 3.87Å; Y334-F358 HydrophobicContact CD2-CB 3.59Å; Y334-F358 HydrophobicContact CD2-CG 4.33Å; Y334-F358 HydrophobicContact CE2-CB 4.21Å; Y334-F358 HydrophobicContact CG-CB 4.23Å; Y334-E360 HydrophobicContact CE1-CB 3.74Å; Y334-E360 HydrophobicContact CE1-CG 4.34Å; Y334-E360 WeakPolarHBondContact CE1-OE2 3.23Å; Y334-E360 WeakPolarHBondContact OH-CB 3.4Å; Y334-E360 WeakPolarHBondContact OH-CG 3.24Å; Y334-E360 PolarHBondContact OH-OE2 3.33Å; Y334-V411 HydrophobicContact CE2-CG2 4.29Å; Y334-I474 HydrophobicContact CD2-CG2 4.15Å; Y334-I474 HydrophobicContact CE2-CD1 4.26Å; Y334-I474 HydrophobicContact CE2-CG2 4.25Å; Y334-F475 HydrophobicContact CD2-CZ 4.31Å; Y334-F475 HydrophobicContact CE2-CE2 4.23Å; Y334-F475 AromaticContact CE2-CZ 3.96Å; Y334-F475 HydrophobicContact CE2-CZ 3.96Å
335	I	98.8	Very high	97.6	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	113.7	179.8	-52.1	-56	0	0	0	108	V280 A282 V319 A322 V333 V338 I347 V357 F358 E360	V280-I335 HydrophobicContact CB-CD1 4.25Å; A282-I335 HydrophobicContact CB-CG2 4.5Å; V319-I335 HydrophobicContact CG1-CG1 4.3Å; V319-I335 HydrophobicContact CG2-CG2 3.73Å; A322-I335 HydrophobicContact CB-CD1 4.34Å; V333-I335 HydrophobicContact CG2-CD1 4.19Å; I335-V338 HydrophobicContact CB-CG2 4.3Å; I335-V338 HydrophobicContact CG2-CG2 3.94Å; I335-I347 HydrophobicContact CB-CD1 3.97Å; I335-I347 HydrophobicContact CG1-CD1 4Å; I335-I347 HydrophobicContact CG1-CG1 4.25Å; I335-I347 HydrophobicContact CG2-CD1 4.19Å; I335-V357 HydrophobicContact CG1-CG1 4.4Å; I335-F358 PolarHBondContact N-O 3.21Å; I335-E360 PolarHBondContact O-N 3.31Å; I335-E360 VanDerWaalsContact O-N 3.09Å
336	T	98.1	Very high	97.6	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.012	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	146.5	177.6	54.7	0	0	0	0	110.6	Q248 L279 V280 Y334	Q248-T336 PolarHBondContact OE1-OG1 3.48Å; L279-T336 HydrophobicContact CB-CG2 3.97Å; L279-T336 HydrophobicContact CD2-CG2 3.8Å; L279-T336 HydrophobicContact CG-CG2 4.12Å; V280-T336 PolarHBondContact O-N 3.09Å; V280-T336 PolarHBondContact O-OG1 2.86Å; Y334-T336 HydrophobicContact CD1-CG2 3.86Å; Y334-T336 HydrophobicContact CE1-CG2 3.87Å
337	K	97.8	Very high	97.6	Very high	15 Å²	15	24.2 Å²	24.2	7%	0.065	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	50	66.8	176.7	-57.1	176.4	-72.4	174	0	112.8	M339 E360 I362 S387 P388	K337-M339 HydrophobicContact CB-SD 4.33Å; K337-M339 WeakPolarHBondContact O-CG 3.44Å; K337-M339 PolarHBondContact O-N 3.38Å; K337-E360 CarbonylContact C-O 3.57Å; K337-E360 WeakPolarHBondContact CA-O 3.34Å; K337-E360 PolarHBondContact N-O 2.52Å; K337-E360 VanDerWaalsContact N-O 3.16Å; K337-E360 PolarHBondContact N-OE1 2.9Å; K337-I362 HydrophobicContact CG-CD1 4.26Å; K337-I362 HydrophobicContact CG-CG2 3.97Å; K337-S387 VanDerWaalsContact CE-O 3.24Å; K337-S387 WeakPolarHBondContact CE-O 3.25Å; K337-S387 PolarHBondContact NZ-O 3.09Å; K337-P388 WeakPolarHBondContact O-CD 3Å
338	V	98.8	Very high	97.8	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	113.8	169.3	-177.2	0	0	0	0	108.5	E315 I335 A343 A344 I347 E360 S365 L400 L409	E315-V338 WeakPolarHBondContact OE1-CA 3.32Å; I335-V338 HydrophobicContact CB-CG2 4.3Å; I335-V338 HydrophobicContact CG2-CG2 3.94Å; V338-A343 HydrophobicContact CG1-CB 4.36Å; V338-A344 HydrophobicContact CG1-CB 3.91Å; V338-I347 HydrophobicContact CG1-CD1 4.37Å; V338-I347 HydrophobicContact CG2-CD1 3.63Å; V338-E360 PolarHBondContact N-O 3.41Å; V338-S365 PolarHBondContact O-OG 3.15Å; V338-L400 HydrophobicContact CG1-CD2 4.14Å; V338-L409 HydrophobicContact CG1-CD2 4.36Å; V338-L409 HydrophobicContact CG2-CD2 4.41Å
339	M	98.4	Very high	98	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.01	9%	0.094	C	C	.	.			trans	-114.1	-18.8	-170.9	-55.7	-62.2	-74.2	0	0	114.1	E315 K337 I362 T386 P388 P389 L390 T396	E315-M339 PolarHBondContact OE1-N 2.85Å; K337-M339 HydrophobicContact CB-SD 4.33Å; K337-M339 WeakPolarHBondContact O-CG 3.44Å; K337-M339 PolarHBondContact O-N 3.38Å; M339-I362 HydrophobicContact CE-CD1 4.28Å; M339-I362 HydrophobicContact SD-CD1 3.83Å; M339-I362 HydrophobicContact SD-CG1 3.74Å; M339-T386 HydrophobicContact CE-CG2 3.97Å; M339-P388 HydrophobicContact CB-CB 4.01Å; M339-P388 HydrophobicContact CB-CG 4.44Å; M339-P388 HydrophobicContact CG-CB 3.72Å; M339-P388 HydrophobicContact CG-CG 3.85Å; M339-P388 WeakPolarHBondContact CG-O 3.39Å; M339-P389 WeakPolarHBondContact CB-O 3.25Å; M339-L390 HydrophobicContact CE-CB 4.48Å; M339-L390 HydrophobicContact CE-CD2 3.48Å; M339-L390 VanDerWaalsContact CE-CD2 3.48Å; M339-L390 HydrophobicContact CE-CG 3.75Å; M339-T396 WeakPolarHBondContact O-CG2 3.32Å
340	S	98.5	Very high	98.1	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.014	9%	0.094	C	C	.	.	S	Bend	trans	-120.7	159	-178.9	67.9	0	0	0	0	114.6	E315 A343 A344	E315-S340 WeakPolarHBondContact OE2-CB 3.23Å; E315-S340 PolarHBondContact OE2-N 2.56Å; E315-S340 PolarHBondContact OE2-OG 3.44Å; S340-A343 WeakPolarHBondContact OG-CB 3.42Å; S340-A343 PolarHBondContact OG-N 3.23Å; S340-A344 PolarHBondContact O-N 3.34Å
341	K	98.8	Very high	98.1	Very high	41 Å²	41	19.1 Å²	19.1	18%	0.178	10%	0.099	C	C	.	.	H	α-helix	trans	-63.3	-45.2	172.5	-55.9	-179.1	179	169.4	0	111.1	A343 A344 D345 D393 T395 T396 Y399	K341-A343 VanDerWaalsContact C-N 3.34Å; K341-A343 PolarHBondContact O-N 3.31Å; K341-A344 PolarHBondContact O-N 3.4Å; K341-A344 VanDerWaalsContact O-N 3.11Å; K341-D345 PolarHBondContact O-N 2.73Å; K341-D393 WeakPolarHBondContact CE-OD2 3.34Å; K341-D393 IonicContact NZ-OD1 3.73Å; K341-D393 IonicContact NZ-OD2 2.65Å; K341-D393 PolarHBondContact NZ-OD2 2.55Å; K341-T395 PolarHBondContact NZ-OG1 2.76Å; K341-T396 WeakPolarHBondContact CE-OG1 3.21Å; K341-T396 HydrophobicContact CG-CG2 4.11Å; K341-Y399 HydrophobicContact CB-CD1 3.77Å; K341-Y399 HydrophobicContact CB-CE1 3.96Å; K341-Y399 HydrophobicContact CD-CD1 4.12Å; K341-Y399 HydrophobicContact CD-CG 4.09Å; K341-Y399 HydrophobicContact CG-CD1 3.58Å; K341-Y399 HydrophobicContact CG-CE1 4.26Å; K341-Y399 HydrophobicContact CG-CG 3.97Å
342	S	98.6	Very high	98.1	Very high	43 Å²	43	25.8 Å²	25.8	30%	0.301	13%	0.127	S	C	.	.	H	α-helix	trans	-59.6	-41.6	-177.7	-63.5	0	0	0	0	112.6	E312 I346	E312-S342 VanDerWaalsContact OE1-CB 3.3Å; E312-S342 WeakPolarHBondContact OE1-CB 3.2Å; E312-S342 PolarHBondContact OE1-OG 3.41Å; S342-I346 WeakPolarHBondContact O-CD1 3.12Å; S342-I346 VanDerWaalsContact O-CG1 3.32Å; S342-I346 WeakPolarHBondContact O-CG1 3.46Å; S342-I346 PolarHBondContact O-N 2.92Å
343	A	98.8	Very high	98.1	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-66.2	-43.6	173.1	0	0	0	0	0	112.6	E315 V319 V338 S340 K341 D345 I346 I347	E315-A343 HydrophobicContact CB-CB 4.46Å; E315-A343 HydrophobicContact CG-CB 3.73Å; E315-A343 WeakPolarHBondContact OE1-CB 3.26Å; V319-A343 HydrophobicContact CG2-CB 4.16Å; V338-A343 HydrophobicContact CG1-CB 4.36Å; S340-A343 WeakPolarHBondContact OG-CB 3.42Å; S340-A343 PolarHBondContact OG-N 3.23Å; K341-A343 VanDerWaalsContact C-N 3.34Å; K341-A343 PolarHBondContact O-N 3.31Å; A343-D345 PolarHBondContact O-N 3.43Å; A343-I346 PolarHBondContact O-N 3.31Å; A343-I347 WeakPolarHBondContact O-CG1 3.46Å; A343-I347 PolarHBondContact O-N 3.4Å; A343-I347 VanDerWaalsContact O-N 3.14Å
344	A	98.8	Very high	97.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65.2	-37.1	179.4	0	0	0	0	0	113.1	V338 S340 K341 I346 I347 A348 L400 L403 L409	V338-A344 HydrophobicContact CG1-CB 3.91Å; S340-A344 PolarHBondContact O-N 3.34Å; K341-A344 PolarHBondContact O-N 3.4Å; K341-A344 VanDerWaalsContact O-N 3.11Å; A344-I346 VanDerWaalsContact C-N 3.34Å; A344-I346 PolarHBondContact O-N 2.65Å; A344-I347 WeakPolarHBondContact O-CB 3.23Å; A344-I347 PolarHBondContact O-N 2.71Å; A344-A348 WeakPolarHBondContact O-CB 3.39Å; A344-A348 PolarHBondContact O-N 3.49Å; A344-L400 HydrophobicContact CB-CD2 3.53Å; A344-L403 HydrophobicContact CB-CD1 3.49Å; A344-L403 VanDerWaalsContact CB-CD1 3.49Å; A344-L409 HydrophobicContact CB-CD1 4.29Å; A344-L409 HydrophobicContact CB-CD2 4.34Å
345	D	98.8	Very high	97.2	Very high	74 Å²	74	35.9 Å²	35.9	40%	0.396	18%	0.181	S	C	.	.	H	α-helix	trans	-63	-38.6	174.8	-87.3	-19.9	0	0	0	112.7	K341 A343 A348 L349 Y399	K341-D345 PolarHBondContact O-N 2.73Å; A343-D345 PolarHBondContact O-N 3.43Å; D345-A348 PolarHBondContact O-N 2.85Å; D345-L349 VanDerWaalsContact O-CB 3.26Å; D345-L349 WeakPolarHBondContact O-CB 3.42Å; D345-L349 PolarHBondContact O-N 3.04Å; D345-Y399 PolarHBondContact OD1-OH 3.18Å
346	I	98.8	Very high	97	Very high	40 Å²	40	36.1 Å²	36.1	21%	0.205	18%	0.182	C	C	.	.	H	α-helix	trans	-66.9	-40.5	176.3	-68.8	165.6	0	0	0	110.3	A316 V319 F320 I323 S342 A343 A344 A350	A316-I346 HydrophobicContact CB-CD1 3.68Å; A316-I346 WeakPolarHBondContact O-CD1 3.45Å; V319-I346 HydrophobicContact CG1-CB 4.35Å; V319-I346 HydrophobicContact CG1-CG2 3.97Å; F320-I346 HydrophobicContact CB-CD1 4.28Å; F320-I346 HydrophobicContact CB-CG2 3.91Å; F320-I346 HydrophobicContact CD2-CG2 4.29Å; I323-I346 HydrophobicContact CD1-CG2 4.06Å; S342-I346 WeakPolarHBondContact O-CD1 3.12Å; S342-I346 VanDerWaalsContact O-CG1 3.32Å; S342-I346 WeakPolarHBondContact O-CG1 3.46Å; S342-I346 PolarHBondContact O-N 2.92Å; A343-I346 PolarHBondContact O-N 3.31Å; A344-I346 VanDerWaalsContact C-N 3.34Å; A344-I346 PolarHBondContact O-N 2.65Å; I346-A350 WeakPolarHBondContact O-CB 3.37Å; I346-A350 PolarHBondContact O-N 3.07Å
347	I	98.8	Very high	96.9	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.8	-49.7	173.3	-67.3	165.7	0	0	0	110.5	V319 I323 I335 V338 A343 A344 L349 A350 R351 V357 L409	V319-I347 HydrophobicContact CG1-CD1 4.28Å; V319-I347 HydrophobicContact CG1-CG1 3.82Å; I323-I347 HydrophobicContact CD1-CG1 4.23Å; I335-I347 HydrophobicContact CB-CD1 3.97Å; I335-I347 HydrophobicContact CG1-CD1 4Å; I335-I347 HydrophobicContact CG1-CG1 4.25Å; I335-I347 HydrophobicContact CG2-CD1 4.19Å; V338-I347 HydrophobicContact CG1-CD1 4.37Å; V338-I347 HydrophobicContact CG2-CD1 3.63Å; A343-I347 WeakPolarHBondContact O-CG1 3.46Å; A343-I347 PolarHBondContact O-N 3.4Å; A343-I347 VanDerWaalsContact O-N 3.14Å; A344-I347 WeakPolarHBondContact O-CB 3.23Å; A344-I347 PolarHBondContact O-N 2.71Å; I347-L349 PolarHBondContact O-N 3.13Å; I347-A350 PolarHBondContact O-N 2.91Å; I347-R351 HydrophobicContact CG2-CG 4.44Å; I347-R351 WeakPolarHBondContact O-CB 3.38Å; I347-R351 WeakPolarHBondContact O-CG 3.48Å; I347-R351 PolarHBondContact O-N 3.38Å; I347-V357 HydrophobicContact CB-CG1 4.4Å; I347-V357 HydrophobicContact CG1-CG1 4.13Å; I347-V357 HydrophobicContact CG2-CG1 3.95Å; I347-L409 HydrophobicContact CD1-CD2 4.24Å; I347-L409 HydrophobicContact CG2-CD2 4.27Å
348	A	98.4	Very high	96.9	Very high	2 Å²	2	35.7 Å²	35.7	2%	0.017	18%	0.18	C	C	.	.	H	α-helix	trans	-57.7	-48.5	178	0	0	0	0	0	112.1	A344 D345 A350 R351 K352 D408	A344-A348 WeakPolarHBondContact O-CB 3.39Å; A344-A348 PolarHBondContact O-N 3.49Å; D345-A348 PolarHBondContact O-N 2.85Å; A348-A350 PolarHBondContact O-N 3.33Å; A348-R351 PolarHBondContact O-N 3.11Å; A348-K352 WeakPolarHBondContact O-CD 3.36Å; A348-K352 VanDerWaalsContact O-CG 3.3Å; A348-K352 WeakPolarHBondContact O-CG 3.39Å; A348-K352 PolarHBondContact O-N 3.39Å; A348-D408 HydrophobicContact CB-CB 3.85Å; A348-D408 VanDerWaalsContact CB-CG 3.5Å; A348-D408 WeakPolarHBondContact CB-OD2 3.29Å
349	L	98.1	Very high	96.9	Very high	96 Å²	96	35.7 Å²	35.7	50%	0.503	18%	0.18	S	C	.	.	H	α-helix	trans	-64.5	-38.6	177.7	-179.8	60.9	0	0	0	112.3	D345 I347 K353	D345-L349 VanDerWaalsContact O-CB 3.26Å; D345-L349 WeakPolarHBondContact O-CB 3.42Å; D345-L349 PolarHBondContact O-N 3.04Å; I347-L349 PolarHBondContact O-N 3.13Å; L349-K353 WeakPolarHBondContact O-CG 3.29Å; L349-K353 PolarHBondContact O-N 2.73Å
350	A	97.7	Very high	96.9	Very high	9 Å²	9	35.6 Å²	35.6	7%	0.074	18%	0.18	C	C	.	.	H	α-helix	trans	-65.8	-44.7	175.5	0	0	0	0	0	111.6	I323 I346 I347 A348 K352 K353 G354 P355 V357	I323-A350 HydrophobicContact CD1-CB 4.03Å; I323-A350 HydrophobicContact CG2-CB 3.66Å; I346-A350 WeakPolarHBondContact O-CB 3.37Å; I346-A350 PolarHBondContact O-N 3.07Å; I347-A350 PolarHBondContact O-N 2.91Å; A348-A350 PolarHBondContact O-N 3.33Å; A350-K352 VanDerWaalsContact C-N 3.33Å; A350-K352 PolarHBondContact O-N 2.8Å; A350-K353 WeakPolarHBondContact O-CB 3.1Å; A350-K353 PolarHBondContact O-N 3.38Å; A350-G354 PolarHBondContact O-N 3.33Å; A350-P355 VanDerWaalsContact O-CD 3.3Å; A350-P355 WeakPolarHBondContact O-CD 3.43Å; A350-V357 HydrophobicContact CB-CG2 3.97Å
351	R	96.4	Very high	96.9	Very high	69 Å²	69	35.5 Å²	35.5	26%	0.26	18%	0.179	S	C	.	.	H	α-helix	trans	-61	-40.5	176.9	-72.7	176.7	61.1	83.8	-8.7	112.1	I347 A348 K353 G354 V357 G407 D408 Q410	I347-R351 HydrophobicContact CG2-CG 4.44Å; I347-R351 WeakPolarHBondContact O-CB 3.38Å; I347-R351 WeakPolarHBondContact O-CG 3.48Å; I347-R351 PolarHBondContact O-N 3.38Å; A348-R351 PolarHBondContact O-N 3.11Å; R351-K353 PolarHBondContact O-N 3.15Å; R351-G354 WeakPolarHBondContact O-CA 3.21Å; R351-G354 PolarHBondContact O-N 3.25Å; R351-V357 WeakPolarHBondContact CD-O 3.32Å; R351-V357 HydrophobicContact CG-CB 4.19Å; R351-V357 WeakPolarHBondContact CG-O 3.45Å; R351-V357 PolarHBondContact NH1-O 3.14Å; R351-G407 PolarHBondContact NH2-O 3.2Å; R351-D408 WeakPolarHBondContact CD-O 3.19Å; R351-Q410 VanDerWaalsContact CZ-CD 3.46Å
352	K	96.5	Very high	96.9	Very high	144 Å²	144	33.5 Å²	33.5	63%	0.626	17%	0.17	S	C	*	.	H	α-helix	trans	-60.5	-29.1	173.8	-72.5	160	-169.2	158.8	0	113.2	A348 A350 G354 D408	A348-K352 WeakPolarHBondContact O-CD 3.36Å; A348-K352 VanDerWaalsContact O-CG 3.3Å; A348-K352 WeakPolarHBondContact O-CG 3.39Å; A348-K352 PolarHBondContact O-N 3.39Å; A350-K352 VanDerWaalsContact C-N 3.33Å; A350-K352 PolarHBondContact O-N 2.8Å; K352-G354 VanDerWaalsContact C-N 3.35Å; K352-D408 WeakPolarHBondContact CE-OD2 3.39Å; K352-D408 IonicContact NZ-OD1 3.01Å; K352-D408 IonicContact NZ-OD2 2.7Å; K352-D408 PolarHBondContact NZ-OD2 2.74Å
353	K	94.5	Very high	96.9	Very high	153 Å²	153	31.5 Å²	31.5	67%	0.665	16%	0.156	S	C	*	.	H	α-helix	trans	-80.8	-11.1	172.2	-66.9	170.1	-176.6	172.9	0	113.7	L349 A350 R351 P355	L349-K353 WeakPolarHBondContact O-CG 3.29Å; L349-K353 PolarHBondContact O-N 2.73Å; A350-K353 WeakPolarHBondContact O-CB 3.1Å; A350-K353 PolarHBondContact O-N 3.38Å; R351-K353 PolarHBondContact O-N 3.15Å; K353-P355 VanDerWaalsContact O-CD 3.31Å; K353-P355 WeakPolarHBondContact O-CD 3.32Å
354	G	89.8	Confident	96.9	Very high	19 Å²	19	31.5 Å²	31.5	20%	0.196	16%	0.156	C	C	.	.			trans	102.2	-21.8	177	0	0	0	0	0	118.6	A350 R351 K352 R564 R568	A350-G354 PolarHBondContact O-N 3.33Å; R351-G354 WeakPolarHBondContact O-CA 3.21Å; R351-G354 PolarHBondContact O-N 3.25Å; K352-G354 VanDerWaalsContact C-N 3.35Å; G354-R564 PolarHBondContact O-NH2 2.98Å; G354-R568 VanDerWaalsContact O-CZ 3.23Å; G354-R568 PolarHBondContact O-NH1 3.5Å; G354-R568 PolarHBondContact O-NH2 3.25Å
355	P	89.1	Confident	96.9	Very high	42 Å²	42	31.6 Å²	31.6	27%	0.273	16%	0.157	S	C	.	.			trans	-41.4	147.1	170	-37.6	37.3	0	0	0	115.5	A350 K353 V357	A350-P355 VanDerWaalsContact O-CD 3.3Å; A350-P355 WeakPolarHBondContact O-CD 3.43Å; K353-P355 VanDerWaalsContact O-CD 3.31Å; K353-P355 WeakPolarHBondContact O-CD 3.32Å; P355-V357 VanDerWaalsContact C-N 3.27Å; P355-V357 HydrophobicContact CB-CG2 3.92Å; P355-V357 PolarHBondContact O-N 3.28Å
356	L	93.1	Very high	96.9	Very high	5 Å²	5	28.1 Å²	28.1	3%	0.026	14%	0.138	C	C	.	.			trans	-82.9	74.6	179	-75.4	169.1	0	0	0	109.6	P332 V333 R564 V565	P332-L356 WeakPolarHBondContact CA-O 3.35Å; P332-L356 HydrophobicContact CB-CB 4.17Å; V333-L356 PolarHBondContact N-O 2.83Å; L356-R564 HydrophobicContact CD1-CB 4.18Å; L356-R564 HydrophobicContact CD2-CB 4.25Å; L356-R564 VanDerWaalsContact CD2-CZ 3.41Å; L356-V565 HydrophobicContact CD1-CG2 3.43Å; L356-V565 VanDerWaalsContact CD1-CG2 3.43Å
357	V	97.1	Very high	96.9	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.006	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	133.3	178.1	-173.2	0	0	0	0	109.2	I323 V333 I335 I347 A350 R351 P355	I323-V357 HydrophobicContact CB-CG2 4.35Å; I323-V357 HydrophobicContact CD1-CG1 3.65Å; I323-V357 HydrophobicContact CD1-CG2 4.11Å; I323-V357 HydrophobicContact CG1-CB 4.47Å; I323-V357 HydrophobicContact CG1-CG1 3.79Å; I323-V357 HydrophobicContact CG1-CG2 3.77Å; I323-V357 HydrophobicContact CG2-CG2 3.82Å; V333-V357 HydrophobicContact CG1-CB 4.28Å; V333-V357 HydrophobicContact CG1-CG1 4.22Å; V333-V357 HydrophobicContact CG1-CG2 3.93Å; V333-V357 CarbonylContact O-C 3.53Å; V333-V357 WeakPolarHBondContact O-CA 3.3Å; I335-V357 HydrophobicContact CG1-CG1 4.4Å; I347-V357 HydrophobicContact CB-CG1 4.4Å; I347-V357 HydrophobicContact CG1-CG1 4.13Å; I347-V357 HydrophobicContact CG2-CG1 3.95Å; A350-V357 HydrophobicContact CB-CG2 3.97Å; R351-V357 WeakPolarHBondContact CD-O 3.32Å; R351-V357 HydrophobicContact CG-CB 4.19Å; R351-V357 WeakPolarHBondContact CG-O 3.45Å; R351-V357 PolarHBondContact NH1-O 3.14Å; P355-V357 VanDerWaalsContact C-N 3.27Å; P355-V357 HydrophobicContact CB-CG2 3.92Å; P355-V357 PolarHBondContact O-N 3.28Å
358	F	98.3	Very high	96.9	Very high	7 Å²	7	27.5 Å²	27.5	3%	0.031	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	142.7	171.5	-61.6	-95.2	0	0	0	110	V333 Y334 I335 Q410 I474 L561	V333-F358 PolarHBondContact O-N 2.8Å; Y334-F358 HydrophobicContact CD2-CB 3.59Å; Y334-F358 HydrophobicContact CD2-CG 4.33Å; Y334-F358 HydrophobicContact CE2-CB 4.21Å; Y334-F358 HydrophobicContact CG-CB 4.23Å; I335-F358 PolarHBondContact N-O 3.21Å; F358-Q410 HydrophobicContact CD1-CB 4.31Å; F358-Q410 HydrophobicContact CD1-CG 4.08Å; F358-I474 HydrophobicContact CD1-CD1 3.55Å; F358-I474 HydrophobicContact CD1-CG1 4.17Å; F358-I474 HydrophobicContact CE1-CD1 3.88Å; F358-I474 HydrophobicContact CE1-CG1 4.04Å; F358-I474 HydrophobicContact CG-CD1 4.24Å; F358-L561 HydrophobicContact CD2-CD2 4.4Å; F358-L561 HydrophobicContact CE1-CD2 4.17Å; F358-L561 HydrophobicContact CE2-CD2 3.4Å; F358-L561 VanDerWaalsContact CE2-CD2 3.4Å; F358-L561 HydrophobicContact CZ-CD2 3.25Å
359	G	98.4	Very high	96.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	132.2	177.1	0	0	0	0	0	111.6	Q410	G359-Q410 PolarHBondContact O-N 3.06Å
360	E	98.6	Very high	96.9	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	94.7	178.8	-177.7	-156.8	93.3	0	0	110.9	V155 N156 Y334 I335 K337 V338 V411	V155-E360 VanDerWaalsContact CG2-OE2 3.24Å; V155-E360 WeakPolarHBondContact CG2-OE2 3.36Å; N156-E360 WeakPolarHBondContact CB-OE1 3.45Å; N156-E360 PolarHBondContact ND2-OE1 3.44Å; Y334-E360 HydrophobicContact CE1-CB 3.74Å; Y334-E360 HydrophobicContact CE1-CG 4.34Å; Y334-E360 WeakPolarHBondContact CE1-OE2 3.23Å; Y334-E360 WeakPolarHBondContact OH-CB 3.4Å; Y334-E360 WeakPolarHBondContact OH-CG 3.24Å; Y334-E360 PolarHBondContact OH-OE2 3.33Å; I335-E360 PolarHBondContact O-N 3.31Å; I335-E360 VanDerWaalsContact O-N 3.09Å; K337-E360 CarbonylContact C-O 3.57Å; K337-E360 WeakPolarHBondContact CA-O 3.34Å; K337-E360 PolarHBondContact N-O 2.52Å; K337-E360 VanDerWaalsContact N-O 3.16Å; K337-E360 PolarHBondContact N-OE1 2.9Å; V338-E360 PolarHBondContact N-O 3.41Å; E360-V411 WeakPolarHBondContact CA-O 3.22Å
361	P	98.7	Very high	96.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	151.4	158.8	31.1	-35.8	0	0	0	109.9	L366 L404 L409 V411 T412 G413	P361-L366 HydrophobicContact CB-CD1 4.21Å; P361-L366 HydrophobicContact CB-CD2 3.86Å; P361-L366 HydrophobicContact CB-CG 3.99Å; P361-L366 HydrophobicContact CG-CD1 4.21Å; P361-L366 HydrophobicContact CG-CD2 4.16Å; P361-L366 HydrophobicContact CG-CG 4.44Å; P361-L404 HydrophobicContact CG-CD1 4.09Å; P361-L409 HydrophobicContact CB-CD1 4.27Å; P361-L409 HydrophobicContact CG-CB 4.24Å; P361-L409 HydrophobicContact CG-CD1 3.84Å; P361-V411 WeakPolarHBondContact CD-O 3.33Å; P361-T412 WeakPolarHBondContact O-CA 3.15Å; P361-G413 PolarHBondContact O-N 2.82Å
362	I	98.7	Very high	97	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	-109.1	162.7	177.9	56.6	165.2	0	0	0	111.5	K337 M339 A364 S365 L366 G413	K337-I362 HydrophobicContact CG-CD1 4.26Å; K337-I362 HydrophobicContact CG-CG2 3.97Å; M339-I362 HydrophobicContact CE-CD1 4.28Å; M339-I362 HydrophobicContact SD-CD1 3.83Å; M339-I362 HydrophobicContact SD-CG1 3.74Å; I362-A364 HydrophobicContact CD1-CB 3.88Å; I362-A364 HydrophobicContact CG1-CB 4.15Å; I362-A364 PolarHBondContact O-N 3.05Å; I362-S365 PolarHBondContact N-OG 3.37Å; I362-S365 VanDerWaalsContact N-OG 3.11Å; I362-S365 PolarHBondContact O-N 2.88Å; I362-S365 PolarHBondContact O-OG 2.83Å; I362-L366 WeakPolarHBondContact O-CG 3.39Å; I362-L366 PolarHBondContact O-N 2.77Å; I362-L366 VanDerWaalsContact O-N 3.09Å; I362-G413 CarbonylContact C-O 3.36Å; I362-G413 VanDerWaalsContact CA-O 3.24Å; I362-G413 WeakPolarHBondContact CA-O 3.37Å
363	A	98.5	Very high	97.1	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-45.3	-41	176	0	0	0	0	0	112.8	L366 G367 G413 R444 F517	A363-L366 PolarHBondContact O-N 3.44Å; A363-G367 PolarHBondContact O-N 3.06Å; A363-G413 PolarHBondContact N-O 3.31Å; A363-R444 HydrophobicContact CB-CB 4.12Å; A363-R444 HydrophobicContact CB-CG 4.3Å; A363-F517 HydrophobicContact CB-CZ 4.08Å; A363-F517 WeakPolarHBondContact O-CE1 3.43Å; A363-F517 WeakPolarHBondContact O-CZ 3.47Å
364	A	98.6	Very high	97.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-60.6	-52.5	176.9	0	0	0	0	0	112.3	I362 L366 G367 T368 L390 V438 I516	I362-A364 HydrophobicContact CD1-CB 3.88Å; I362-A364 HydrophobicContact CG1-CB 4.15Å; I362-A364 PolarHBondContact O-N 3.05Å; A364-L366 PolarHBondContact O-N 2.6Å; A364-G367 PolarHBondContact O-N 2.77Å; A364-T368 WeakPolarHBondContact O-CG2 3.49Å; A364-T368 PolarHBondContact O-N 2.69Å; A364-T368 VanDerWaalsContact O-O 3.11Å; A364-L390 HydrophobicContact CB-CD2 4.05Å; A364-L390 WeakPolarHBondContact O-CD2 3.24Å; A364-V438 HydrophobicContact CB-CG2 4.11Å; A364-I516 HydrophobicContact CB-CD1 3.5Å; A364-I516 VanDerWaalsContact CB-CD1 3.5Å
365	S	98.7	Very high	97.7	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.014	10%	0.099	C	C	.	.	H	α-helix	trans	-71.1	-14.4	-178.5	60.7	0	0	0	0	114.3	V338 I362 P397	V338-S365 PolarHBondContact O-OG 3.15Å; I362-S365 PolarHBondContact N-OG 3.37Å; I362-S365 VanDerWaalsContact N-OG 3.11Å; I362-S365 PolarHBondContact O-N 2.88Å; I362-S365 PolarHBondContact O-OG 2.83Å; S365-P397 WeakPolarHBondContact O-CA 3.34Å; S365-P397 WeakPolarHBondContact O-CB 3.49Å
366	L	98.7	Very high	98.1	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.01	13%	0.131	C	C	.	.	H	α-helix	trans	-96	-25.9	175	-62.1	174.2	0	0	0	113.5	P361 I362 A363 A364 P397 L400 L404 T412 V448	P361-L366 HydrophobicContact CB-CD1 4.21Å; P361-L366 HydrophobicContact CB-CD2 3.86Å; P361-L366 HydrophobicContact CB-CG 3.99Å; P361-L366 HydrophobicContact CG-CD1 4.21Å; P361-L366 HydrophobicContact CG-CD2 4.16Å; P361-L366 HydrophobicContact CG-CG 4.44Å; I362-L366 WeakPolarHBondContact O-CG 3.39Å; I362-L366 PolarHBondContact O-N 2.77Å; I362-L366 VanDerWaalsContact O-N 3.09Å; A363-L366 PolarHBondContact O-N 3.44Å; A364-L366 PolarHBondContact O-N 2.6Å; L366-P397 WeakPolarHBondContact O-CB 3.48Å; L366-L400 HydrophobicContact CD2-CB 3.84Å; L366-L404 HydrophobicContact CD1-CD2 3.98Å; L366-T412 HydrophobicContact CD1-CG2 3.74Å; L366-V448 HydrophobicContact CD1-CG2 3.94Å
367	G	98.1	Very high	98.3	Very high	14 Å²	14	30.2 Å²	30.2	14%	0.144	15%	0.15	C	C	.	.	H	α-helix	trans	-104.9	-21.9	-174.6	0	0	0	0	0	116.1	A363 A364 M520	A363-G367 PolarHBondContact O-N 3.06Å; A364-G367 PolarHBondContact O-N 2.77Å; G367-M520 WeakPolarHBondContact O-CE 3.19Å
368	T	98.4	Very high	98.4	Very high	13 Å²	13	33.4 Å²	33.4	8%	0.08	16%	0.161	C	C	.	.			trans	-152.7	174.4	-173.5	-172.1	0	0	0	0	112	A364 H372 F384 L390 P397 I516 F517	A364-T368 WeakPolarHBondContact O-CG2 3.49Å; A364-T368 PolarHBondContact O-N 2.69Å; A364-T368 VanDerWaalsContact O-O 3.11Å; T368-H372 PolarHBondContact OG1-CD2 3.48Å; T368-H372 VanDerWaalsContact OG1-CD2 3.23Å; T368-H372 PolarHBondContact OG1-NE2 2.88Å; T368-F384 HydrophobicContact CG2-CD1 4.37Å; T368-F384 HydrophobicContact CG2-CE1 4.01Å; T368-L390 HydrophobicContact CG2-CD1 4.04Å; T368-L390 HydrophobicContact CG2-CD2 4.45Å; T368-P397 WeakPolarHBondContact O-CG 3.46Å; T368-I516 HydrophobicContact CG2-CD1 4.06Å; T368-F517 HydrophobicContact CG2-CD1 4.33Å; T368-F517 HydrophobicContact CG2-CE1 3.97Å
369	D	98.4	Very high	98.3	Very high	27 Å²	27	34 Å²	34	14%	0.144	17%	0.168	C	C	.	.			trans	-134.5	172.9	-171.3	68.6	63.9	0	0	0	113.3	T371 H372 P397	D369-T371 VanDerWaalsContact C-N 3.33Å; D369-T371 PolarHBondContact O-N 3.15Å; D369-T371 WeakPolarHBondContact OD1-CB 3.39Å; D369-T371 WeakPolarHBondContact OD1-CG2 3.32Å; D369-T371 PolarHBondContact OD1-N 2.92Å; D369-T371 PolarHBondContact OD1-OG1 3.36Å; D369-H372 PolarHBondContact O-CD2 3.03Å; D369-P397 HydrophobicContact CB-CG 4.31Å
370	G	98.1	Very high	98.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-77.3	-5.5	-175.6	0	0	0	0	0	115.6	H372 Y373 W374 L390 S391	G370-H372 PolarHBondContact O-N 3.4Å; G370-Y373 WeakPolarHBondContact O-CD2 3.34Å; G370-Y373 PolarHBondContact O-N 3.46Å; G370-W374 WeakPolarHBondContact O-CZ3 3.47Å; G370-L390 WeakPolarHBondContact CA-O 3.45Å; G370-S391 PolarHBondContact N-O 2.77Å
371	T	98.3	Very high	98.3	Very high	65 Å²	65	37.7 Å²	37.7	40%	0.399	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-59.2	-23.5	178.6	63.7	0	0	0	0	112.1	D369 Y373 W374	D369-T371 VanDerWaalsContact C-N 3.33Å; D369-T371 PolarHBondContact O-N 3.15Å; D369-T371 WeakPolarHBondContact OD1-CB 3.39Å; D369-T371 WeakPolarHBondContact OD1-CG2 3.32Å; D369-T371 PolarHBondContact OD1-N 2.92Å; D369-T371 PolarHBondContact OD1-OG1 3.36Å; T371-Y373 VanDerWaalsContact C-N 3.27Å; T371-Y373 PolarHBondContact O-N 2.99Å; T371-W374 PolarHBondContact O-N 2.86Å
372	H	97.9	Very high	98.3	Very high	47 Å²	47	37.8 Å²	37.8	22%	0.218	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-63.9	-22.4	176.3	-63.6	-35.6	0	0	0	114.9	T368 D369 G370 W374 S375 A381 F384	T368-H372 PolarHBondContact OG1-CD2 3.48Å; T368-H372 VanDerWaalsContact OG1-CD2 3.23Å; T368-H372 PolarHBondContact OG1-NE2 2.88Å; D369-H372 PolarHBondContact O-CD2 3.03Å; G370-H372 PolarHBondContact O-N 3.4Å; H372-W374 PolarHBondContact O-N 3.07Å; H372-S375 VanDerWaalsContact O-CB 3.26Å; H372-S375 WeakPolarHBondContact O-CB 3.31Å; H372-S375 PolarHBondContact O-N 3.21Å; H372-S375 VanDerWaalsContact O-N 3.08Å; H372-A381 WeakPolarHBondContact O-CA 3.32Å; H372-F384 HydrophobicContact CB-CB 4.48Å; H372-F384 HydrophobicContact CB-CD1 3.92Å; H372-F384 HydrophobicContact CB-CD2 3.64Å; H372-F384 HydrophobicContact CB-CE1 4.03Å; H372-F384 HydrophobicContact CB-CE2 3.77Å; H372-F384 HydrophobicContact CB-CG 3.74Å; H372-F384 HydrophobicContact CB-CZ 3.96Å; H372-F384 AromaticContact CD2-CD1 3.72Å; H372-F384 AromaticContact CD2-CE1 3.12Å; H372-F384 WeakPolarHBondContact CD2-CE1 3.46Å; H372-F384 AromaticContact CD2-CZ 3.32Å; H372-F384 WeakPolarHBondContact CD2-CZ 3.43Å; H372-F384 AromaticContact CG-CE1 3.8Å; H372-F384 AromaticContact CG-CE2 3.95Å; H372-F384 AromaticContact CG-CZ 3.68Å
373	Y	98.5	Very high	98.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-62.6	-27.6	174	-61.6	-58.5	0	0	0	112.7	A307 G370 T371 S375 A381 F384 V385 P389 L390	A307-Y373 HydrophobicContact CB-CD2 3.53Å; A307-Y373 HydrophobicContact CB-CE2 3.89Å; A307-Y373 HydrophobicContact CB-CG 4.13Å; G370-Y373 WeakPolarHBondContact O-CD2 3.34Å; G370-Y373 PolarHBondContact O-N 3.46Å; T371-Y373 VanDerWaalsContact C-N 3.27Å; T371-Y373 PolarHBondContact O-N 2.99Å; Y373-S375 VanDerWaalsContact C-N 3.26Å; Y373-S375 PolarHBondContact O-N 2.98Å; Y373-A381 WeakPolarHBondContact O-CB 3.34Å; Y373-F384 HydrophobicContact CD1-CB 4.25Å; Y373-F384 VanDerWaalsContact CE1-C 3.45Å; Y373-F384 HydrophobicContact CE1-CB 3.76Å; Y373-F384 VanDerWaalsContact CE1-O 3.23Å; Y373-F384 WeakPolarHBondContact CE1-O 3.49Å; Y373-F384 PolarHBondContact OH-O 3.4Å; Y373-V385 HydrophobicContact CD1-CG2 4.42Å; Y373-V385 HydrophobicContact CE1-CG2 4.17Å; Y373-P389 HydrophobicContact CE2-CB 4.09Å; Y373-L390 HydrophobicContact CE2-CB 4.1Å; Y373-L390 PolarHBondContact OH-N 3.15Å; Y373-L390 VanDerWaalsContact OH-N 3.09Å
374	W	98.5	Very high	98.3	Very high	125 Å²	125	38.8 Å²	38.8	47%	0.473	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-87.6	16.4	176	-70.8	-94.3	0	0	0	113.5	E304 A307 L308 G370 T371 H372 K376 P392	E304-W374 HydrophobicContact CB-CD2 4.18Å; E304-W374 HydrophobicContact CB-CG 4.34Å; E304-W374 HydrophobicContact CB-CZ2 4.21Å; A307-W374 HydrophobicContact CB-CH2 4.09Å; A307-W374 HydrophobicContact CB-CZ3 4.43Å; L308-W374 HydrophobicContact CD1-CZ2 4.48Å; L308-W374 HydrophobicContact CD2-CZ2 4.15Å; L308-W374 HydrophobicContact CG-CZ2 4.09Å; G370-W374 WeakPolarHBondContact O-CZ3 3.47Å; T371-W374 PolarHBondContact O-N 2.86Å; H372-W374 PolarHBondContact O-N 3.07Å; W374-K376 PolarHBondContact O-N 2.92Å; W374-P392 HydrophobicContact CH2-CB 4.26Å; W374-P392 HydrophobicContact CZ3-CB 3.91Å
375	S	98.1	Very high	98.3	Very high	38 Å²	38	38.8 Å²	38.8	27%	0.266	19%	0.191	S	C	.	.			trans	-65.2	126.8	174.7	-170.4	0	0	0	0	111.4	H372 Y373 N377	H372-S375 VanDerWaalsContact O-CB 3.26Å; H372-S375 WeakPolarHBondContact O-CB 3.31Å; H372-S375 PolarHBondContact O-N 3.21Å; H372-S375 VanDerWaalsContact O-N 3.08Å; Y373-S375 VanDerWaalsContact C-N 3.26Å; Y373-S375 PolarHBondContact O-N 2.98Å; S375-N377 CarbonylContact O-C 3.55Å; S375-N377 PolarHBondContact O-N 3.23Å; S375-N377 VanDerWaalsContact O-N 3.07Å; S375-N377 PolarHBondContact OG-N 3.49Å
376	K	97.9	Very high	98.2	Very high	218 Å²	218	38.9 Å²	38.9	95%	0.948	19%	0.192	S	C	*	.	S	Bend	trans	-59.7	-18	171.9	-63.4	-174.3	179.9	-178	0	113.7	W374	W374-K376 PolarHBondContact O-N 2.92Å
377	N	98.1	Very high	98.1	Very high	76 Å²	76	38.8 Å²	38.8	41%	0.406	19%	0.192	S	C	.	.	S	Bend	trans	-88.7	105.4	168.1	175.2	-6.9	0	0	0	108.2	S375 A379 K380 A381 Y514	S375-N377 CarbonylContact O-C 3.55Å; S375-N377 PolarHBondContact O-N 3.23Å; S375-N377 VanDerWaalsContact O-N 3.07Å; S375-N377 PolarHBondContact OG-N 3.49Å; N377-A379 VanDerWaalsContact C-N 3.28Å; N377-A379 PolarHBondContact O-N 3.04Å; N377-A379 WeakPolarHBondContact OD1-CB 3.46Å; N377-A379 PolarHBondContact OD1-N 2.85Å; N377-K380 HydrophobicContact CB-CB 4.04Å; N377-K380 WeakPolarHBondContact O-CB 3.18Å; N377-K380 PolarHBondContact O-N 3.44Å; N377-K380 VanDerWaalsContact O-N 3.09Å; N377-K380 PolarHBondContact OD1-N 2.83Å; N377-A381 PolarHBondContact O-N 3.39Å; N377-Y514 PolarHBondContact ND2-OH 3.2Å
378	W	98.3	Very high	98.2	Very high	68 Å²	68	38.3 Å²	38.3	26%	0.258	19%	0.186	S	C	.	.	H	α-helix	trans	-53.7	-42	179.9	-178.4	97.2	0	0	0	112.8	K380 A381 A382 K424 A425 K428 I434	W378-K380 VanDerWaalsContact C-N 3.34Å; W378-K380 PolarHBondContact O-N 3.01Å; W378-A381 PolarHBondContact O-N 3.24Å; W378-A382 HydrophobicContact CD2-CB 4.29Å; W378-A382 HydrophobicContact CE3-CB 4.12Å; W378-A382 HydrophobicContact CH2-CB 3.37Å; W378-A382 HydrophobicContact CZ2-CB 3.64Å; W378-A382 HydrophobicContact CZ3-CB 3.67Å; W378-A382 WeakPolarHBondContact O-CB 3.44Å; W378-A382 PolarHBondContact O-N 3.01Å; W378-K424 HydrophobicContact CH2-CB 4.28Å; W378-K424 WeakPolarHBondContact CH2-O 3.49Å; W378-A425 HydrophobicContact CH2-CB 4.34Å; W378-A425 HydrophobicContact CZ3-CB 4.2Å; W378-K428 HydrophobicContact CH2-CB 4.39Å; W378-K428 VanDerWaalsContact CZ2-CA 3.44Å; W378-K428 HydrophobicContact CZ2-CB 4.04Å; W378-K428 PolarHBondContact NE1-O 2.88Å; W378-I434 HydrophobicContact CZ2-CD1 3.79Å; W378-I434 HydrophobicContact CZ2-CG1 4.17Å
379	A	97.6	Very high	98.2	Very high	20 Å²	20	38.3 Å²	38.3	17%	0.165	19%	0.186	C	C	.	.	H	α-helix	trans	-65.6	-38.7	-179.7	0	0	0	0	0	111.7	N377 A383 T421 Y514	N377-A379 VanDerWaalsContact C-N 3.28Å; N377-A379 PolarHBondContact O-N 3.04Å; N377-A379 WeakPolarHBondContact OD1-CB 3.46Å; N377-A379 PolarHBondContact OD1-N 2.85Å; A379-A383 PolarHBondContact O-N 3.32Å; A379-A383 VanDerWaalsContact O-N 3.15Å; A379-T421 HydrophobicContact CB-CG2 3.8Å; A379-Y514 HydrophobicContact CB-CE2 4.08Å
380	K	97.5	Very high	98.2	Very high	76 Å²	76	37.1 Å²	37.1	33%	0.33	18%	0.18	S	C	.	.	H	α-helix	trans	-62.6	-49.6	171.2	179.8	171.8	177.7	169.5	0	110.5	N377 W378 A382 A383 F384 Y514	N377-K380 HydrophobicContact CB-CB 4.04Å; N377-K380 WeakPolarHBondContact O-CB 3.18Å; N377-K380 PolarHBondContact O-N 3.44Å; N377-K380 VanDerWaalsContact O-N 3.09Å; N377-K380 PolarHBondContact OD1-N 2.83Å; W378-K380 VanDerWaalsContact C-N 3.34Å; W378-K380 PolarHBondContact O-N 3.01Å; K380-A382 PolarHBondContact O-N 2.98Å; K380-A383 WeakPolarHBondContact O-CB 3.44Å; K380-A383 PolarHBondContact O-N 2.92Å; K380-F384 HydrophobicContact CG-CE2 4.15Å; K380-F384 WeakPolarHBondContact O-CD2 3.2Å; K380-Y514 HydrophobicContact CB-CE1 4.16Å
381	A	98.5	Very high	98.2	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.008	18%	0.183	C	C	.	.	H	α-helix	trans	-60.9	-43	-179.2	0	0	0	0	0	112.7	P303 H372 Y373 N377 W378 A383 F384	P303-A381 HydrophobicContact CB-CB 3.89Å; P303-A381 HydrophobicContact CG-CB 3.76Å; H372-A381 WeakPolarHBondContact O-CA 3.32Å; Y373-A381 WeakPolarHBondContact O-CB 3.34Å; N377-A381 PolarHBondContact O-N 3.39Å; W378-A381 PolarHBondContact O-N 3.24Å; A381-A383 VanDerWaalsContact C-N 3.3Å; A381-A383 PolarHBondContact O-N 3.41Å; A381-F384 PolarHBondContact O-N 2.9Å
382	A	98.4	Very high	98.1	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.008	19%	0.185	C	C	.	.	H	α-helix	trans	-66.1	-29.3	179	0	0	0	0	0	113.2	P303 W378 K380 F384 V385 K424 I434	P303-A382 HydrophobicContact CG-CB 4.03Å; W378-A382 HydrophobicContact CD2-CB 4.29Å; W378-A382 HydrophobicContact CE3-CB 4.12Å; W378-A382 HydrophobicContact CH2-CB 3.37Å; W378-A382 HydrophobicContact CZ2-CB 3.64Å; W378-A382 HydrophobicContact CZ3-CB 3.67Å; W378-A382 WeakPolarHBondContact O-CB 3.44Å; W378-A382 PolarHBondContact O-N 3.01Å; K380-A382 PolarHBondContact O-N 2.98Å; A382-F384 PolarHBondContact O-N 3.23Å; A382-V385 WeakPolarHBondContact O-CB 3.23Å; A382-V385 PolarHBondContact O-N 2.93Å; A382-V385 VanDerWaalsContact O-N 3.13Å; A382-K424 HydrophobicContact CB-CB 4.28Å; A382-K424 WeakPolarHBondContact O-CD 3.35Å; A382-K424 WeakPolarHBondContact O-CE 3.45Å; A382-K424 PolarHBondContact O-NZ 2.85Å; A382-I434 HydrophobicContact CB-CD1 4.3Å
383	A	98.1	Very high	98.1	Very high	14 Å²	14	38.2 Å²	38.2	12%	0.116	19%	0.189	C	C	.	.	H	α-helix	trans	-60.6	-28	176.6	0	0	0	0	0	113	A379 K380 A381 V438 Y514	A379-A383 PolarHBondContact O-N 3.32Å; A379-A383 VanDerWaalsContact O-N 3.15Å; K380-A383 WeakPolarHBondContact O-CB 3.44Å; K380-A383 PolarHBondContact O-N 2.92Å; A381-A383 VanDerWaalsContact C-N 3.3Å; A381-A383 PolarHBondContact O-N 3.41Å; A383-V438 WeakPolarHBondContact O-CG1 3.46Å; A383-Y514 HydrophobicContact CB-CG 4.17Å
384	F	98.6	Very high	98.1	Very high	7 Å²	7	42 Å²	42	3%	0.031	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-3.4	178.6	-68.5	-99.8	0	0	0	113.7	T368 H372 Y373 K380 A381 A382 T386 L390 I516	T368-F384 HydrophobicContact CG2-CD1 4.37Å; T368-F384 HydrophobicContact CG2-CE1 4.01Å; H372-F384 HydrophobicContact CB-CB 4.48Å; H372-F384 HydrophobicContact CB-CD1 3.92Å; H372-F384 HydrophobicContact CB-CD2 3.64Å; H372-F384 HydrophobicContact CB-CE1 4.03Å; H372-F384 HydrophobicContact CB-CE2 3.77Å; H372-F384 HydrophobicContact CB-CG 3.74Å; H372-F384 HydrophobicContact CB-CZ 3.96Å; H372-F384 AromaticContact CD2-CD1 3.72Å; H372-F384 AromaticContact CD2-CE1 3.12Å; H372-F384 WeakPolarHBondContact CD2-CE1 3.46Å; H372-F384 AromaticContact CD2-CZ 3.32Å; H372-F384 WeakPolarHBondContact CD2-CZ 3.43Å; H372-F384 AromaticContact CG-CE1 3.8Å; H372-F384 AromaticContact CG-CE2 3.95Å; H372-F384 AromaticContact CG-CZ 3.68Å; Y373-F384 HydrophobicContact CD1-CB 4.25Å; Y373-F384 VanDerWaalsContact CE1-C 3.45Å; Y373-F384 HydrophobicContact CE1-CB 3.76Å; Y373-F384 VanDerWaalsContact CE1-O 3.23Å; Y373-F384 WeakPolarHBondContact CE1-O 3.49Å; Y373-F384 PolarHBondContact OH-O 3.4Å; K380-F384 HydrophobicContact CG-CE2 4.15Å; K380-F384 WeakPolarHBondContact O-CD2 3.2Å; A381-F384 PolarHBondContact O-N 2.9Å; A382-F384 PolarHBondContact O-N 3.23Å; F384-T386 PolarHBondContact O-N 2.65Å; F384-T386 VanDerWaalsContact O-N 3.07Å; F384-L390 HydrophobicContact CB-CD1 4.34Å; F384-L390 HydrophobicContact CD1-CD1 3.75Å; F384-I516 HydrophobicContact CD1-CB 3.95Å; F384-I516 HydrophobicContact CD1-CG2 3.9Å; F384-I516 HydrophobicContact CD2-CG2 4.43Å; F384-I516 HydrophobicContact CE1-CB 3.52Å; F384-I516 HydrophobicContact CE1-CG2 3.91Å; F384-I516 WeakPolarHBondContact CE1-O 3.26Å; F384-I516 HydrophobicContact CE2-CG2 4.44Å; F384-I516 HydrophobicContact CG-CG2 4.17Å; F384-I516 HydrophobicContact CZ-CB 3.91Å; F384-I516 HydrophobicContact CZ-CG2 4.18Å; F384-I516 VanDerWaalsContact CZ-O 3.3Å; F384-I516 WeakPolarHBondContact CZ-O 3.16Å
385	V	98.6	Very high	98.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.214	C	C	.	.			trans	-66.9	110.4	-177.4	173.8	0	0	0	0	110.3	P303 Y373 A382 K424 I434 G437	P303-V385 HydrophobicContact CB-CG2 3.88Å; Y373-V385 HydrophobicContact CD1-CG2 4.42Å; Y373-V385 HydrophobicContact CE1-CG2 4.17Å; A382-V385 WeakPolarHBondContact O-CB 3.23Å; A382-V385 PolarHBondContact O-N 2.93Å; A382-V385 VanDerWaalsContact O-N 3.13Å; V385-K424 PolarHBondContact O-NZ 2.99Å; V385-I434 HydrophobicContact CB-CG2 3.9Å; V385-I434 HydrophobicContact CG1-CB 4.19Å; V385-I434 HydrophobicContact CG1-CG2 3.87Å; V385-I434 HydrophobicContact CG2-CD1 4.23Å; V385-I434 HydrophobicContact CG2-CG2 4.13Å; V385-G437 PolarHBondContact O-N 3.27Å
386	T	98.1	Very high	98.1	Very high	4 Å²	4	38 Å²	38	3%	0.025	20%	0.202	C	C	.	.			trans	-149.9	170.9	-179.5	-167.3	0	0	0	0	109.5	H306 M339 F384 P388 P389 L390 V438	H306-T386 PolarHBondContact NE2-O 3.46Å; M339-T386 HydrophobicContact CE-CG2 3.97Å; F384-T386 PolarHBondContact O-N 2.65Å; F384-T386 VanDerWaalsContact O-N 3.07Å; T386-P388 CarbonylContact C-O 3.36Å; T386-P388 CarbonylContact O-C 3.53Å; T386-P389 WeakPolarHBondContact O-CA 3.23Å; T386-L390 HydrophobicContact CG2-CG 4.48Å; T386-V438 HydrophobicContact CG2-CG1 4.26Å
387	S	96.8	Very high	98.2	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.007	16%	0.161	C	C	.	.	S	Bend	trans	-140.3	121	-168.3	-53.2	0	0	0	0	111.4	H281 E283 R310 K337 E436	H281-S387 PolarHBondContact CE1-O 3.11Å; E283-S387 WeakPolarHBondContact OE2-CB 3.43Å; R310-S387 PolarHBondContact NH1-OG 2.82Å; K337-S387 VanDerWaalsContact CE-O 3.24Å; K337-S387 WeakPolarHBondContact CE-O 3.25Å; K337-S387 PolarHBondContact NZ-O 3.09Å; S387-E436 VanDerWaalsContact CB-OE2 3.24Å; S387-E436 WeakPolarHBondContact CB-OE2 3.45Å; S387-E436 PolarHBondContact OG-OE1 3.18Å; S387-E436 PolarHBondContact OG-OE2 3.4Å
388	P	98.4	Very high	98.2	Very high	3 Å²	3	29 Å²	29	2%	0.019	17%	0.165	C	C	.	.	S	Bend	cis	-58.9	157.3	-4	-13.1	25.5	0	0	0	111.8	E283 E315 K337 M339 T386	E283-P388 VanDerWaalsContact CD-CA 3.5Å; E283-P388 HydrophobicContact CG-CB 3.99Å; E283-P388 HydrophobicContact CG-CG 3.72Å; E283-P388 VanDerWaalsContact OE2-CA 3.23Å; E283-P388 WeakPolarHBondContact OE2-CA 3.5Å; E315-P388 HydrophobicContact CG-CB 4.31Å; E315-P388 HydrophobicContact CG-CG 3.96Å; K337-P388 WeakPolarHBondContact O-CD 3Å; M339-P388 HydrophobicContact CB-CB 4.01Å; M339-P388 HydrophobicContact CB-CG 4.44Å; M339-P388 HydrophobicContact CG-CB 3.72Å; M339-P388 HydrophobicContact CG-CG 3.85Å; M339-P388 WeakPolarHBondContact CG-O 3.39Å; T386-P388 CarbonylContact C-O 3.36Å; T386-P388 CarbonylContact O-C 3.53Å
389	P	98.4	Very high	98.2	Very high	14 Å²	14	29.4 Å²	29.4	9%	0.091	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-65.4	157.1	178.5	30.7	-37.3	0	0	0	110.8	A307 R310 M339 Y373 T386 S391	A307-P389 HydrophobicContact CB-CB 4.24Å; R310-P389 HydrophobicContact CB-CG 3.9Å; R310-P389 VanDerWaalsContact O-CG 3.23Å; R310-P389 WeakPolarHBondContact O-CG 3.37Å; M339-P389 WeakPolarHBondContact CB-O 3.25Å; Y373-P389 HydrophobicContact CE2-CB 4.09Å; T386-P389 WeakPolarHBondContact O-CA 3.23Å; P389-S391 PolarHBondContact O-N 3.39Å
390	L	98.6	Very high	98.3	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.01	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-62.4	129.6	166.9	-71.8	159.9	0	0	0	109.4	M339 A364 T368 G370 Y373 F384 T386	M339-L390 HydrophobicContact CE-CB 4.48Å; M339-L390 HydrophobicContact CE-CD2 3.48Å; M339-L390 VanDerWaalsContact CE-CD2 3.48Å; M339-L390 HydrophobicContact CE-CG 3.75Å; A364-L390 HydrophobicContact CB-CD2 4.05Å; A364-L390 WeakPolarHBondContact O-CD2 3.24Å; T368-L390 HydrophobicContact CG2-CD1 4.04Å; T368-L390 HydrophobicContact CG2-CD2 4.45Å; G370-L390 WeakPolarHBondContact CA-O 3.45Å; Y373-L390 HydrophobicContact CE2-CB 4.1Å; Y373-L390 PolarHBondContact OH-N 3.15Å; Y373-L390 VanDerWaalsContact OH-N 3.09Å; F384-L390 HydrophobicContact CB-CD1 4.34Å; F384-L390 HydrophobicContact CD1-CD1 3.75Å; T386-L390 HydrophobicContact CG2-CG 4.48Å
391	S	98	Very high	98.3	Very high	9 Å²	9	25 Å²	25	6%	0.063	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-59.7	131.2	177.4	177.8	0	0	0	0	110.1	E312 G370 P389 D393 T396	E312-S391 PolarHBondContact OE2-OG 2.87Å; E312-S391 VanDerWaalsContact OE2-OG 3.11Å; G370-S391 PolarHBondContact N-O 2.77Å; P389-S391 PolarHBondContact O-N 3.39Å; S391-D393 PolarHBondContact O-N 3.24Å; S391-D393 PolarHBondContact OG-N 3.2Å; S391-T396 PolarHBondContact OG-OG1 3.44Å
392	P	97.3	Very high	98.3	Very high	69 Å²	69	27 Å²	27	45%	0.448	16%	0.158	S	C	.	.	S	Bend	trans	-72.3	-5	178.5	31.1	-36.1	0	0	0	113.5	W374 P394	W374-P392 HydrophobicContact CH2-CB 4.26Å; W374-P392 HydrophobicContact CZ3-CB 3.91Å; P392-P394 WeakPolarHBondContact O-CD 3.24Å
393	D	98.2	Very high	98.4	Very high	57 Å²	57	27.7 Å²	27.7	31%	0.305	16%	0.161	S	C	.	.			trans	-77.3	112.5	168.8	179.8	-13.2	0	0	0	109.7	K341 S391 T395 T396	K341-D393 WeakPolarHBondContact CE-OD2 3.34Å; K341-D393 IonicContact NZ-OD1 3.73Å; K341-D393 IonicContact NZ-OD2 2.65Å; K341-D393 PolarHBondContact NZ-OD2 2.55Å; S391-D393 PolarHBondContact O-N 3.24Å; S391-D393 PolarHBondContact OG-N 3.2Å; D393-T395 VanDerWaalsContact CG-OG1 3.31Å; D393-T395 PolarHBondContact O-N 3.45Å; D393-T395 WeakPolarHBondContact OD1-CB 3.07Å; D393-T395 PolarHBondContact OD1-N 2.78Å; D393-T395 PolarHBondContact OD1-OG1 2.55Å; D393-T395 PolarHBondContact OD2-OG1 2.9Å; D393-T396 WeakPolarHBondContact O-CB 3.32Å; D393-T396 PolarHBondContact O-N 2.73Å; D393-T396 PolarHBondContact O-OG1 2.91Å
394	P	98	Very high	98.4	Very high	80 Å²	80	27.2 Å²	27.2	52%	0.519	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-6.9	-176.8	30.8	-37.3	0	0	0	113.6	P392	P392-P394 WeakPolarHBondContact O-CD 3.24Å
395	T	98.5	Very high	98.4	Very high	76 Å²	76	27.3 Å²	27.3	47%	0.466	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-3.2	174.2	67.4	0	0	0	0	113.2	K341 D393 Y399	K341-T395 PolarHBondContact NZ-OG1 2.76Å; D393-T395 VanDerWaalsContact CG-OG1 3.31Å; D393-T395 PolarHBondContact O-N 3.45Å; D393-T395 WeakPolarHBondContact OD1-CB 3.07Å; D393-T395 PolarHBondContact OD1-N 2.78Å; D393-T395 PolarHBondContact OD1-OG1 2.55Å; D393-T395 PolarHBondContact OD2-OG1 2.9Å; T395-Y399 WeakPolarHBondContact O-CB 3.5Å; T395-Y399 PolarHBondContact O-N 3.03Å; T395-Y399 VanDerWaalsContact O-N 3.14Å
396	T	98.8	Very high	98.3	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.018	19%	0.186	C	C	.	.	H	α-helix	trans	-61.2	-44.8	175.3	-65.7	0	0	0	0	113.7	M339 K341 S391 D393 D398 Y399 L400	M339-T396 WeakPolarHBondContact O-CG2 3.32Å; K341-T396 WeakPolarHBondContact CE-OG1 3.21Å; K341-T396 HydrophobicContact CG-CG2 4.11Å; S391-T396 PolarHBondContact OG-OG1 3.44Å; D393-T396 WeakPolarHBondContact O-CB 3.32Å; D393-T396 PolarHBondContact O-N 2.73Å; D393-T396 PolarHBondContact O-OG1 2.91Å; T396-D398 VanDerWaalsContact C-N 3.31Å; T396-D398 PolarHBondContact O-N 3.04Å; T396-Y399 WeakPolarHBondContact O-CB 3.49Å; T396-Y399 PolarHBondContact O-N 2.96Å; T396-Y399 VanDerWaalsContact O-N 3.12Å; T396-L400 HydrophobicContact CG2-CD1 3.8Å; T396-L400 HydrophobicContact CG2-CG 4.04Å; T396-L400 WeakPolarHBondContact O-CG 3.45Å; T396-L400 PolarHBondContact O-N 2.85Å
397	P	98.8	Very high	98.2	Very high	13 Å²	13	32.6 Å²	32.6	8%	0.084	20%	0.2	C	C	.	.	H	α-helix	trans	-63	-38.2	-179.4	-24.5	36.4	0	0	0	113.3	S365 L366 T368 D369 Y399 T401	S365-P397 WeakPolarHBondContact O-CA 3.34Å; S365-P397 WeakPolarHBondContact O-CB 3.49Å; L366-P397 WeakPolarHBondContact O-CB 3.48Å; T368-P397 WeakPolarHBondContact O-CG 3.46Å; D369-P397 HydrophobicContact CB-CG 4.31Å; P397-Y399 VanDerWaalsContact C-N 3.33Å; P397-Y399 PolarHBondContact O-N 3.47Å; P397-T401 VanDerWaalsContact O-CB 3.3Å; P397-T401 WeakPolarHBondContact O-CB 3.36Å; P397-T401 PolarHBondContact O-N 2.94Å; P397-T401 PolarHBondContact O-OG1 3.29Å
398	D	98.6	Very high	98.3	Very high	91 Å²	91	33.6 Å²	33.6	49%	0.487	21%	0.206	S	C	.	.	H	α-helix	trans	-65.2	-37.9	175.7	-167.3	71.3	0	0	0	112.2	T396 S402 K457	T396-D398 VanDerWaalsContact C-N 3.31Å; T396-D398 PolarHBondContact O-N 3.04Å; D398-S402 PolarHBondContact O-N 2.96Å; D398-S402 VanDerWaalsContact O-N 3.16Å; D398-S402 PolarHBondContact O-OG 3.17Å; D398-K457 PolarHBondContact O-NZ 3.44Å; D398-K457 IonicContact OD1-NZ 3.65Å; D398-K457 PolarHBondContact OD1-NZ 2.91Å; D398-K457 IonicContact OD2-NZ 2.66Å; D398-K457 PolarHBondContact OD2-NZ 2.85Å
399	Y	98.8	Very high	98.3	Very high	77 Å²	77	33.5 Å²	33.5	30%	0.302	21%	0.205	S	C	.	.	H	α-helix	trans	-68.3	-50.6	176.4	-167.9	-100.8	0	0	0	112.4	K341 D345 T395 T396 P397 T401 S402 L403	K341-Y399 HydrophobicContact CB-CD1 3.77Å; K341-Y399 HydrophobicContact CB-CE1 3.96Å; K341-Y399 HydrophobicContact CD-CD1 4.12Å; K341-Y399 HydrophobicContact CD-CG 4.09Å; K341-Y399 HydrophobicContact CG-CD1 3.58Å; K341-Y399 HydrophobicContact CG-CE1 4.26Å; K341-Y399 HydrophobicContact CG-CG 3.97Å; D345-Y399 PolarHBondContact OD1-OH 3.18Å; T395-Y399 WeakPolarHBondContact O-CB 3.5Å; T395-Y399 PolarHBondContact O-N 3.03Å; T395-Y399 VanDerWaalsContact O-N 3.14Å; T396-Y399 WeakPolarHBondContact O-CB 3.49Å; T396-Y399 PolarHBondContact O-N 2.96Å; T396-Y399 VanDerWaalsContact O-N 3.12Å; P397-Y399 VanDerWaalsContact C-N 3.33Å; P397-Y399 PolarHBondContact O-N 3.47Å; Y399-T401 VanDerWaalsContact C-N 3.29Å; Y399-T401 PolarHBondContact O-N 2.81Å; Y399-S402 WeakPolarHBondContact O-CA 3.35Å; Y399-S402 WeakPolarHBondContact O-CB 3.29Å; Y399-S402 PolarHBondContact O-N 2.98Å; Y399-L403 HydrophobicContact CD1-CD1 3.98Å; Y399-L403 HydrophobicContact CD1-CG 4.42Å; Y399-L403 HydrophobicContact CE1-CD1 3.48Å; Y399-L403 VanDerWaalsContact CE1-CD1 3.48Å; Y399-L403 HydrophobicContact CE1-CG 4.09Å; Y399-L403 PolarHBondContact O-N 3.24Å
400	L	98.9	Very high	98.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.3	-39.7	177.3	-67.2	178.6	0	0	0	111.6	V338 A344 L366 T396 S402 L403 L404 L409	V338-L400 HydrophobicContact CG1-CD2 4.14Å; A344-L400 HydrophobicContact CB-CD2 3.53Å; L366-L400 HydrophobicContact CD2-CB 3.84Å; T396-L400 HydrophobicContact CG2-CD1 3.8Å; T396-L400 HydrophobicContact CG2-CG 4.04Å; T396-L400 WeakPolarHBondContact O-CG 3.45Å; T396-L400 PolarHBondContact O-N 2.85Å; L400-S402 VanDerWaalsContact C-N 3.28Å; L400-S402 PolarHBondContact O-N 2.75Å; L400-L403 PolarHBondContact O-N 3.17Å; L400-L404 WeakPolarHBondContact O-CB 3.23Å; L400-L404 PolarHBondContact O-N 2.92Å; L400-L409 HydrophobicContact CB-CD1 4.44Å; L400-L409 HydrophobicContact CD2-CD1 3.97Å
401	T	98.6	Very high	98.1	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.018	20%	0.203	C	C	.	.	H	α-helix	trans	-60.2	-37.6	173.1	-59.6	0	0	0	0	112.1	P397 Y399 L404 A405 K451 A452 K457	P397-T401 VanDerWaalsContact O-CB 3.3Å; P397-T401 WeakPolarHBondContact O-CB 3.36Å; P397-T401 PolarHBondContact O-N 2.94Å; P397-T401 PolarHBondContact O-OG1 3.29Å; Y399-T401 VanDerWaalsContact C-N 3.29Å; Y399-T401 PolarHBondContact O-N 2.81Å; T401-L404 PolarHBondContact O-N 2.95Å; T401-A405 WeakPolarHBondContact O-CB 3.49Å; T401-A405 PolarHBondContact O-N 2.92Å; T401-K451 HydrophobicContact CG2-CB 4.42Å; T401-K451 WeakPolarHBondContact CG2-O 3.37Å; T401-A452 HydrophobicContact CG2-CB 3.66Å; T401-K457 HydrophobicContact CG2-CD 4.1Å
402	S	98.6	Very high	98.2	Very high	42 Å²	42	32.9 Å²	32.9	29%	0.294	20%	0.2	S	C	.	.	H	α-helix	trans	-69.5	-40	177.7	-50.2	0	0	0	0	112	D398 Y399 L400 L404 A405 C406 K457	D398-S402 PolarHBondContact O-N 2.96Å; D398-S402 VanDerWaalsContact O-N 3.16Å; D398-S402 PolarHBondContact O-OG 3.17Å; Y399-S402 WeakPolarHBondContact O-CA 3.35Å; Y399-S402 WeakPolarHBondContact O-CB 3.29Å; Y399-S402 PolarHBondContact O-N 2.98Å; L400-S402 VanDerWaalsContact C-N 3.28Å; L400-S402 PolarHBondContact O-N 2.75Å; S402-L404 VanDerWaalsContact C-N 3.34Å; S402-A405 PolarHBondContact O-N 3.22Å; S402-C406 PolarHBondContact O-N 3.08Å; S402-K457 PolarHBondContact OG-NZ 3.44Å
403	L	98.7	Very high	98.2	Very high	16 Å²	16	29.6 Å²	29.6	8%	0.084	18%	0.179	C	C	.	.	H	α-helix	trans	-70.2	-30.2	175.3	-66.3	-177.1	0	0	0	112.8	A344 Y399 L400 G407 D408 L409	A344-L403 HydrophobicContact CB-CD1 3.49Å; A344-L403 VanDerWaalsContact CB-CD1 3.49Å; Y399-L403 HydrophobicContact CD1-CD1 3.98Å; Y399-L403 HydrophobicContact CD1-CG 4.42Å; Y399-L403 HydrophobicContact CE1-CD1 3.48Å; Y399-L403 VanDerWaalsContact CE1-CD1 3.48Å; Y399-L403 HydrophobicContact CE1-CG 4.09Å; Y399-L403 PolarHBondContact O-N 3.24Å; L400-L403 PolarHBondContact O-N 3.17Å; L403-G407 PolarHBondContact O-N 2.67Å; L403-D408 HydrophobicContact CB-CB 4.27Å; L403-D408 HydrophobicContact CD2-CB 4.12Å; L403-D408 PolarHBondContact O-N 3.16Å; L403-L409 HydrophobicContact CB-CD1 3.94Å; L403-L409 HydrophobicContact CB-CG 4Å; L403-L409 PolarHBondContact O-N 3.4Å
404	L	98.5	Very high	98.2	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.021	16%	0.164	C	C	.	.	H	α-helix	trans	-67	-45.5	170	-173.4	69.4	0	0	0	111.4	P361 L366 L400 T401 S402 C406 G407 L409 T412 M458 V466	P361-L404 HydrophobicContact CG-CD1 4.09Å; L366-L404 HydrophobicContact CD1-CD2 3.98Å; L400-L404 WeakPolarHBondContact O-CB 3.23Å; L400-L404 PolarHBondContact O-N 2.92Å; T401-L404 PolarHBondContact O-N 2.95Å; S402-L404 VanDerWaalsContact C-N 3.34Å; L404-C406 PolarHBondContact O-N 3.17Å; L404-G407 PolarHBondContact O-N 3.27Å; L404-L409 HydrophobicContact CB-CB 4.35Å; L404-L409 HydrophobicContact CD1-CB 4.06Å; L404-T412 HydrophobicContact CD1-CG2 4.03Å; L404-T412 HydrophobicContact CD2-CG2 3.4Å; L404-T412 VanDerWaalsContact CD2-CG2 3.4Å; L404-T412 HydrophobicContact CG-CG2 4.35Å; L404-M458 HydrophobicContact CB-CE 4.36Å; L404-M458 HydrophobicContact CD2-CE 3.95Å; L404-M458 HydrophobicContact CG-CE 3.8Å; L404-V466 HydrophobicContact CD1-CB 3.98Å; L404-V466 HydrophobicContact CD1-CG1 3.83Å; L404-V466 HydrophobicContact CD2-CB 4.45Å; L404-V466 HydrophobicContact CD2-CG2 4.12Å; L404-V466 HydrophobicContact CG-CB 4.26Å; L404-V466 HydrophobicContact CG-CG1 4.02Å; L404-V466 HydrophobicContact CG-CG2 4.34Å
405	A	98.1	Very high	98.2	Very high	10 Å²	10	23.2 Å²	23.2	8%	0.083	14%	0.141	C	C	.	.	H	α-helix	trans	-64.6	-37.3	178.7	0	0	0	0	0	113.5	T401 S402 G407 K457 M458 Q462	T401-A405 WeakPolarHBondContact O-CB 3.49Å; T401-A405 PolarHBondContact O-N 2.92Å; S402-A405 PolarHBondContact O-N 3.22Å; A405-G407 VanDerWaalsContact C-N 3.31Å; A405-G407 PolarHBondContact O-N 2.8Å; A405-K457 HydrophobicContact CB-CB 4.33Å; A405-K457 WeakPolarHBondContact CB-O 3.39Å; A405-M458 HydrophobicContact CB-CB 4.05Å; A405-M458 HydrophobicContact CB-CE 4.05Å; A405-Q462 PolarHBondContact O-NE2 3.23Å
406	C	97.1	Very high	98.2	Very high	84 Å²	84	19.7 Å²	19.7	57%	0.568	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-1.4	175.9	77.5	0	0	0	0	114.3	S402 L404	S402-C406 PolarHBondContact O-N 3.08Å; L404-C406 PolarHBondContact O-N 3.17Å
407	G	96.9	Very high	98.1	Very high	31 Å²	31	19.7 Å²	19.7	32%	0.32	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	13.9	177.2	0	0	0	0	0	115.6	R351 L403 L404 A405 L409 Q410	R351-G407 PolarHBondContact NH2-O 3.2Å; L403-G407 PolarHBondContact O-N 2.67Å; L404-G407 PolarHBondContact O-N 3.27Å; A405-G407 VanDerWaalsContact C-N 3.31Å; A405-G407 PolarHBondContact O-N 2.8Å; G407-L409 CarbonylContact C-O 3.52Å; G407-L409 WeakPolarHBondContact CA-O 3.44Å; G407-Q410 PolarHBondContact O-NE2 2.77Å
408	D	97.9	Very high	98	Very high	22 Å²	22	19.2 Å²	19.2	12%	0.118	12%	0.116	C	C	.	.	S	Bend	trans	-74.3	-27.7	168.2	-88.9	-24.4	0	0	0	111.1	A348 R351 K352 L403 Q410	A348-D408 HydrophobicContact CB-CB 3.85Å; A348-D408 VanDerWaalsContact CB-CG 3.5Å; A348-D408 WeakPolarHBondContact CB-OD2 3.29Å; R351-D408 WeakPolarHBondContact CD-O 3.19Å; K352-D408 WeakPolarHBondContact CE-OD2 3.39Å; K352-D408 IonicContact NZ-OD1 3.01Å; K352-D408 IonicContact NZ-OD2 2.7Å; K352-D408 PolarHBondContact NZ-OD2 2.74Å; L403-D408 HydrophobicContact CB-CB 4.27Å; L403-D408 HydrophobicContact CD2-CB 4.12Å; L403-D408 PolarHBondContact O-N 3.16Å; D408-Q410 PolarHBondContact O-NE2 2.84Å
409	L	98.6	Very high	98	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.005	9%	0.094	C	C	.	.	S	Bend	trans	-109	155.5	158.2	-55.4	171.3	0	0	0	109.4	V338 A344 I347 P361 L400 L403 L404 G407	V338-L409 HydrophobicContact CG1-CD2 4.36Å; V338-L409 HydrophobicContact CG2-CD2 4.41Å; A344-L409 HydrophobicContact CB-CD1 4.29Å; A344-L409 HydrophobicContact CB-CD2 4.34Å; I347-L409 HydrophobicContact CD1-CD2 4.24Å; I347-L409 HydrophobicContact CG2-CD2 4.27Å; P361-L409 HydrophobicContact CB-CD1 4.27Å; P361-L409 HydrophobicContact CG-CB 4.24Å; P361-L409 HydrophobicContact CG-CD1 3.84Å; L400-L409 HydrophobicContact CB-CD1 4.44Å; L400-L409 HydrophobicContact CD2-CD1 3.97Å; L403-L409 HydrophobicContact CB-CD1 3.94Å; L403-L409 HydrophobicContact CB-CG 4Å; L403-L409 PolarHBondContact O-N 3.4Å; L404-L409 HydrophobicContact CB-CB 4.35Å; L404-L409 HydrophobicContact CD1-CB 4.06Å; G407-L409 CarbonylContact C-O 3.52Å; G407-L409 WeakPolarHBondContact CA-O 3.44Å
410	Q	97.1	Very high	97.9	Very high	11 Å²	11	12.8 Å²	12.8	5%	0.051	9%	0.088	C	C	.	.			trans	-128	-27	-164.8	-66	75.8	51.7	0	0	116.9	R351 F358 G359 G407 D408 N470	R351-Q410 VanDerWaalsContact CZ-CD 3.46Å; F358-Q410 HydrophobicContact CD1-CB 4.31Å; F358-Q410 HydrophobicContact CD1-CG 4.08Å; G359-Q410 PolarHBondContact O-N 3.06Å; G407-Q410 PolarHBondContact O-NE2 2.77Å; D408-Q410 PolarHBondContact O-NE2 2.84Å; Q410-N470 WeakPolarHBondContact O-CB 3.5Å; Q410-N470 PolarHBondContact O-ND2 3.1Å
411	V	97.1	Very high	97.8	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.006	10%	0.099	C	C	.	.			trans	-138.7	148.5	-171	-175.4	0	0	0	0	109	V155 Y334 E360 P361 V466 N470 A471 I474	V155-V411 HydrophobicContact CG1-CG1 4.4Å; V155-V411 HydrophobicContact CG2-CG1 3.59Å; Y334-V411 HydrophobicContact CE2-CG2 4.29Å; E360-V411 WeakPolarHBondContact CA-O 3.22Å; P361-V411 WeakPolarHBondContact CD-O 3.33Å; V411-V466 WeakPolarHBondContact CA-O 3.45Å; V411-N470 HydrophobicContact CG2-CB 3.98Å; V411-A471 HydrophobicContact CG1-CB 4.02Å; V411-I474 HydrophobicContact CG2-CD1 3.56Å
412	T	98.2	Very high	97.7	Very high	0 Å²	0	18 Å²	18	0%	0	13%	0.128	C	C	.	.			trans	-115.5	120	171.6	57.4	0	0	0	0	111.8	P361 L366 L404 R444 V448 V466	P361-T412 WeakPolarHBondContact O-CA 3.15Å; L366-T412 HydrophobicContact CD1-CG2 3.74Å; L404-T412 HydrophobicContact CD1-CG2 4.03Å; L404-T412 HydrophobicContact CD2-CG2 3.4Å; L404-T412 VanDerWaalsContact CD2-CG2 3.4Å; L404-T412 HydrophobicContact CG-CG2 4.35Å; T412-R444 WeakPolarHBondContact O-CD 3.23Å; T412-R444 PolarHBondContact O-NH1 2.89Å; T412-R444 PolarHBondContact OG1-NH1 2.98Å; T412-V448 HydrophobicContact CG2-CG2 3.94Å; T412-V466 HydrophobicContact CG2-CG2 4.4Å; T412-V466 PolarHBondContact N-O 2.95Å; T412-V466 PolarHBondContact OG1-O 3.49Å
413	G	98.3	Very high	97.7	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	-95.1	175.7	165.1	0	0	0	0	0	111.7	D154 P361 I362 A363 R444	D154-G413 VanDerWaalsContact OD1-CA 3.32Å; D154-G413 WeakPolarHBondContact OD1-CA 2.99Å; P361-G413 PolarHBondContact O-N 2.82Å; I362-G413 CarbonylContact C-O 3.36Å; I362-G413 VanDerWaalsContact CA-O 3.24Å; I362-G413 WeakPolarHBondContact CA-O 3.37Å; A363-G413 PolarHBondContact N-O 3.31Å; G413-R444 VanDerWaalsContact C-CD 3.44Å
414	S	98.4	Very high	97.6	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	12%	0.119	C	C	.	.			trans	-92.9	-30.6	164.2	57	0	0	0	0	113.1	D154 N156 H416 G440	D154-S414 VanDerWaalsContact CG-OG 3.32Å; D154-S414 PolarHBondContact OD1-N 3.08Å; D154-S414 PolarHBondContact OD1-OG 2.86Å; D154-S414 WeakPolarHBondContact OD2-CB 3.41Å; D154-S414 PolarHBondContact OD2-N 3.25Å; D154-S414 PolarHBondContact OD2-OG 2.96Å; N156-S414 PolarHBondContact O-OG 3.48Å; S414-H416 PolarHBondContact O-N 3.15Å; S414-H416 WeakPolarHBondContact OG-CB 3.4Å; S414-H416 PolarHBondContact OG-N 3.04Å; S414-G440 VanDerWaalsContact CB-C 3.43Å
415	G	97.2	Very high	97.6	Very high	3 Å²	3	18.7 Å²	18.7	3%	0.031	13%	0.132	C	C	.	.			trans	66.1	24.1	-166.8	0	0	0	0	0	112.2	N156 C417	N156-G415 VanDerWaalsContact O-CA 3.24Å; N156-G415 WeakPolarHBondContact O-CA 3.49Å; N156-G415 PolarHBondContact O-N 3.17Å; G415-C417 PolarHBondContact O-N 3.38Å; G415-C417 VanDerWaalsContact O-N 3.14Å
416	H	98.6	Very high	97.6	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-68.6	111.3	-166.7	178.9	89.3	0	0	0	111.9	N156 Y158 D170 S414 P418 V438 N439 G440 I441	N156-H416 PolarHBondContact O-N 2.95Å; Y158-H416 PolarHBondContact N-O 3.35Å; D170-H416 IonicContact OD2-CE1 2.77Å; D170-H416 PolarHBondContact OD2-CE1 3.14Å; D170-H416 VanDerWaalsContact OD2-CE1 3.31Å; D170-H416 IonicContact OD2-NE2 3.47Å; D170-H416 PolarHBondContact OD2-NE2 3.06Å; S414-H416 PolarHBondContact O-N 3.15Å; S414-H416 WeakPolarHBondContact OG-CB 3.4Å; S414-H416 PolarHBondContact OG-N 3.04Å; H416-P418 WeakPolarHBondContact NE2-CD 3.31Å; H416-V438 WeakPolarHBondContact CA-O 3.47Å; H416-N439 WeakPolarHBondContact ND1-CA 3.5Å; H416-G440 PolarHBondContact ND1-N 3.32Å; H416-I441 HydrophobicContact CB-CB 3.85Å; H416-I441 VanDerWaalsContact CE1-CG2 3.46Å; H416-I441 WeakPolarHBondContact CE1-CG2 3.28Å
417	C	97.8	Very high	97.6	Very high	4 Å²	4	17.6 Å²	17.6	3%	0.027	12%	0.121	C	C	.	.			trans	-147	63.5	178.8	-170	0	0	0	0	108.8	Y158 G415 Y419 G437 V438	Y158-C417 HydrophobicContact CD2-CB 4.04Å; Y158-C417 HydrophobicContact CG-CB 4.2Å; G415-C417 PolarHBondContact O-N 3.38Å; G415-C417 VanDerWaalsContact O-N 3.14Å; C417-Y419 WeakPolarHBondContact O-CD2 3.48Å; C417-Y419 WeakPolarHBondContact O-CE2 3.47Å; C417-Y419 VanDerWaalsContact SG-CE2 3.56Å; C417-G437 CarbonylContact O-C 3.44Å; C417-G437 VanDerWaalsContact O-CA 3.23Å; C417-G437 WeakPolarHBondContact O-CA 3.36Å; C417-V438 CarbonylContact C-O 3.52Å; C417-V438 PolarHBondContact N-O 3.13Å; C417-V438 PolarHBondContact O-N 3.42Å
418	P	96.8	Very high	97.6	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.013	13%	0.13	C	C	.	.			trans	-74.4	143	-170.4	34.1	-38.5	0	0	0	110.9	A168 A169 D170 H416 N439 V512	A168-P418 WeakPolarHBondContact CA-O 3.33Å; A169-P418 PolarHBondContact N-O 2.89Å; D170-P418 HydrophobicContact CB-CG 3.8Å; H416-P418 WeakPolarHBondContact NE2-CD 3.31Å; P418-N439 HydrophobicContact CB-CB 4.5Å; P418-V512 HydrophobicContact CB-CG1 3.77Å; P418-V512 HydrophobicContact CB-CG2 3.97Å
419	Y	97.4	Very high	97.6	Very high	10 Å²	10	26.3 Å²	26.3	4%	0.039	16%	0.155	C	C	.	.			trans	-127.6	140	171.6	-65.8	-83.3	0	0	0	108.6	S163 C417 Q423 P435 E436	S163-Y419 WeakPolarHBondContact CB-OH 3.33Å; C417-Y419 WeakPolarHBondContact O-CD2 3.48Å; C417-Y419 WeakPolarHBondContact O-CE2 3.47Å; C417-Y419 VanDerWaalsContact SG-CE2 3.56Å; Y419-Q423 HydrophobicContact CD1-CB 4.43Å; Y419-P435 HydrophobicContact CD1-CB 3.94Å; Y419-P435 HydrophobicContact CD1-CG 4.18Å; Y419-P435 HydrophobicContact CD2-CB 3.78Å; Y419-P435 HydrophobicContact CD2-CG 4.28Å; Y419-P435 HydrophobicContact CE1-CB 4.02Å; Y419-P435 HydrophobicContact CE2-CB 3.86Å; Y419-P435 HydrophobicContact CG-CB 3.82Å; Y419-P435 HydrophobicContact CG-CG 3.94Å; Y419-E436 WeakPolarHBondContact CE2-O 3.43Å
420	S	97	Very high	97.6	Very high	23 Å²	23	28.1 Å²	28.1	16%	0.161	16%	0.164	C	C	.	.			trans	-65.6	162.4	180	75.1	0	0	0	0	111.7	A422 Q423 K424	S420-A422 PolarHBondContact O-N 3.33Å; S420-A422 VanDerWaalsContact O-N 3.17Å; S420-Q423 PolarHBondContact O-N 3.03Å; S420-Q423 WeakPolarHBondContact OG-CG 3.33Å; S420-Q423 PolarHBondContact OG-N 2.71Å; S420-K424 WeakPolarHBondContact O-CG 3.43Å; S420-K424 PolarHBondContact O-N 3.4Å
421	T	97	Very high	97.7	Very high	40 Å²	40	27.6 Å²	27.6	25%	0.245	16%	0.162	C	C	.	.	H	α-helix	trans	-55.5	-36.4	177.5	-52.5	0	0	0	0	111.6	A379 A425 E513	A379-T421 HydrophobicContact CB-CG2 3.8Å; T421-A425 WeakPolarHBondContact O-CB 3.2Å; T421-A425 PolarHBondContact O-N 3.2Å; T421-E513 WeakPolarHBondContact CB-OE2 3.46Å; T421-E513 PolarHBondContact N-OE2 3.17Å; T421-E513 PolarHBondContact OG1-OE2 3.01Å
422	A	97	Very high	97.7	Very high	74 Å²	74	29.6 Å²	29.6	61%	0.612	17%	0.174	S	C	*	.	H	α-helix	trans	-69.7	-38.7	176.8	0	0	0	0	0	113.1	S420 A425	S420-A422 PolarHBondContact O-N 3.33Å; S420-A422 VanDerWaalsContact O-N 3.17Å; A422-A425 PolarHBondContact O-N 3.16Å
423	Q	97.5	Very high	97.7	Very high	35 Å²	35	33 Å²	33	16%	0.164	19%	0.192	C	C	.	.	H	α-helix	trans	-68.1	-42.6	174.6	-68.1	176.6	-52.2	0	0	111.4	M166 T167 Y419 S420 A425 V426 P435	M166-Q423 HydrophobicContact SD-CB 3.92Å; M166-Q423 HydrophobicContact SD-CG 3.85Å; T167-Q423 PolarHBondContact O-NE2 3.32Å; Y419-Q423 HydrophobicContact CD1-CB 4.43Å; S420-Q423 PolarHBondContact O-N 3.03Å; S420-Q423 WeakPolarHBondContact OG-CG 3.33Å; S420-Q423 PolarHBondContact OG-N 2.71Å; Q423-A425 VanDerWaalsContact C-N 3.25Å; Q423-A425 PolarHBondContact O-N 3.21Å; Q423-V426 WeakPolarHBondContact O-CB 3.48Å; Q423-V426 WeakPolarHBondContact O-CG2 3.5Å; Q423-V426 PolarHBondContact O-N 2.86Å; Q423-P435 HydrophobicContact CB-CG 4.5Å; Q423-P435 WeakPolarHBondContact O-CD 3.5Å; Q423-P435 WeakPolarHBondContact O-CG 3.4Å
424	K	98.1	Very high	97.7	Very high	5 Å²	5	33.1 Å²	33.1	2%	0.022	19%	0.193	C	C	.	.	H	α-helix	trans	-56.7	-40.9	173	-69.9	-74.2	-169.9	175.3	0	111.3	W378 A382 V385 S420 V426 G427 I434 P435 G437	W378-K424 HydrophobicContact CH2-CB 4.28Å; W378-K424 WeakPolarHBondContact CH2-O 3.49Å; A382-K424 HydrophobicContact CB-CB 4.28Å; A382-K424 WeakPolarHBondContact O-CD 3.35Å; A382-K424 WeakPolarHBondContact O-CE 3.45Å; A382-K424 PolarHBondContact O-NZ 2.85Å; V385-K424 PolarHBondContact O-NZ 2.99Å; S420-K424 WeakPolarHBondContact O-CG 3.43Å; S420-K424 PolarHBondContact O-N 3.4Å; K424-V426 PolarHBondContact O-N 3.39Å; K424-G427 PolarHBondContact O-N 2.92Å; K424-G427 VanDerWaalsContact O-N 3.14Å; K424-I434 HydrophobicContact CB-CG2 4.39Å; K424-I434 HydrophobicContact CD-CG2 3.52Å; K424-P435 HydrophobicContact CD-CG 4.32Å; K424-P435 WeakPolarHBondContact CE-O 3.36Å; K424-P435 PolarHBondContact NZ-O 2.93Å; K424-G437 PolarHBondContact NZ-O 2.94Å
425	A	97.7	Very high	97.6	Very high	36 Å²	36	33.1 Å²	33.1	30%	0.298	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-64.1	-7.5	-176.8	0	0	0	0	0	115.8	W378 T421 A422 Q423 G427 K428	W378-A425 HydrophobicContact CH2-CB 4.34Å; W378-A425 HydrophobicContact CZ3-CB 4.2Å; T421-A425 WeakPolarHBondContact O-CB 3.2Å; T421-A425 PolarHBondContact O-N 3.2Å; A422-A425 PolarHBondContact O-N 3.16Å; Q423-A425 VanDerWaalsContact C-N 3.25Å; Q423-A425 PolarHBondContact O-N 3.21Å; A425-G427 PolarHBondContact O-N 3.44Å; A425-K428 WeakPolarHBondContact O-CB 3.39Å; A425-K428 WeakPolarHBondContact O-CG 3.41Å; A425-K428 PolarHBondContact O-N 3.22Å; A425-K428 VanDerWaalsContact O-N 3.15Å
426	V	97.4	Very high	97.6	Very high	71 Å²	71	34.4 Å²	34.4	43%	0.43	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-55.4	-37.1	166.9	173.1	0	0	0	0	111.1	M166 Q423 K424	M166-V426 HydrophobicContact CE-CB 4.41Å; M166-V426 HydrophobicContact CE-CG2 3.87Å; M166-V426 HydrophobicContact SD-CG2 4.08Å; Q423-V426 WeakPolarHBondContact O-CB 3.48Å; Q423-V426 WeakPolarHBondContact O-CG2 3.5Å; Q423-V426 PolarHBondContact O-N 2.86Å; K424-V426 PolarHBondContact O-N 3.39Å
427	G	97.4	Very high	97.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-95.8	24.5	176.3	0	0	0	0	0	115.6	K424 A425 D429 N430 I434	K424-G427 PolarHBondContact O-N 2.92Å; K424-G427 VanDerWaalsContact O-N 3.14Å; A425-G427 PolarHBondContact O-N 3.44Å; G427-D429 VanDerWaalsContact C-N 3.25Å; G427-D429 PolarHBondContact O-N 3.02Å; G427-N430 CarbonylContact C-O 3.57Å; G427-N430 WeakPolarHBondContact CA-O 3.21Å; G427-N430 CarbonylContact O-C 3.55Å; G427-N430 PolarHBondContact O-N 2.96Å; G427-N430 VanDerWaalsContact O-N 3.17Å; G427-I434 WeakPolarHBondContact O-CG1 3.43Å
428	K	97.6	Very high	97.5	Very high	118 Å²	118	34.4 Å²	34.4	51%	0.513	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-35.3	-177.5	72.1	179.4	-164.9	178.5	0	114.3	W378 A425	W378-K428 HydrophobicContact CH2-CB 4.39Å; W378-K428 VanDerWaalsContact CZ2-CA 3.44Å; W378-K428 HydrophobicContact CZ2-CB 4.04Å; W378-K428 PolarHBondContact NE1-O 2.88Å; A425-K428 WeakPolarHBondContact O-CB 3.39Å; A425-K428 WeakPolarHBondContact O-CG 3.41Å; A425-K428 PolarHBondContact O-N 3.22Å; A425-K428 VanDerWaalsContact O-N 3.15Å
429	D	97.6	Very high	97.6	Very high	118 Å²	118	34.5 Å²	34.5	63%	0.631	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.4	2.9	-178.9	-54	-47.6	0	0	0	111.9	T301 G427	T301-D429 VanDerWaalsContact CB-O 3.31Å; T301-D429 WeakPolarHBondContact CB-O 3.44Å; T301-D429 WeakPolarHBondContact CG2-O 3.31Å; G427-D429 VanDerWaalsContact C-N 3.25Å; G427-D429 PolarHBondContact O-N 3.02Å
430	N	98.4	Very high	97.6	Very high	38 Å²	38	34 Å²	34	20%	0.203	20%	0.197	C	C	.	.			trans	-161.2	107.1	176.9	176.4	6.6	0	0	0	110.3	L296 G427 T432 L433	L296-N430 WeakPolarHBondContact CD2-OD1 3.49Å; G427-N430 CarbonylContact C-O 3.57Å; G427-N430 WeakPolarHBondContact CA-O 3.21Å; G427-N430 CarbonylContact O-C 3.55Å; G427-N430 PolarHBondContact O-N 2.96Å; G427-N430 VanDerWaalsContact O-N 3.17Å; N430-T432 PolarHBondContact ND2-OG1 3.48Å; N430-T432 VanDerWaalsContact ND2-OG1 3.1Å; N430-T432 PolarHBondContact O-N 3.38Å; N430-T432 VanDerWaalsContact O-N 3.1Å; N430-T432 PolarHBondContact OD1-N 2.86Å; N430-T432 PolarHBondContact OD1-OG1 3.28Å; N430-T432 VanDerWaalsContact OD1-OG1 3.04Å; N430-L433 HydrophobicContact CB-CD1 4.29Å; N430-L433 HydrophobicContact CB-CG 4.42Å; N430-L433 PolarHBondContact O-N 3.11Å
431	F	98.6	Very high	97.7	Very high	1 Å²	1	33 Å²	33	0%	0.004	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-56.2	-27.5	-179.2	73.1	-92	0	0	0	114.8	Q292 I295 L296 I300 T301 G302 G305 H306 L433 I434	Q292-F431 HydrophobicContact CB-CZ 4.45Å; Q292-F431 HydrophobicContact CG-CE2 4.02Å; Q292-F431 HydrophobicContact CG-CZ 4.28Å; I295-F431 HydrophobicContact CB-CE1 4.4Å; I295-F431 HydrophobicContact CB-CZ 4.29Å; I295-F431 HydrophobicContact CG2-CE1 3.66Å; I295-F431 HydrophobicContact CG2-CZ 3.88Å; L296-F431 HydrophobicContact CD2-CD1 3.94Å; L296-F431 HydrophobicContact CD2-CE1 3.65Å; L296-F431 HydrophobicContact CG-CE1 3.81Å; L296-F431 HydrophobicContact CG-CZ 4.38Å; I300-F431 WeakPolarHBondContact O-CE1 3.46Å; T301-F431 PolarHBondContact O-N 3.12Å; G302-F431 WeakPolarHBondContact O-CB 3.34Å; G305-F431 VanDerWaalsContact O-CE2 3.29Å; G305-F431 WeakPolarHBondContact O-CE2 3.47Å; G305-F431 WeakPolarHBondContact O-CZ 3.38Å; H306-F431 HydrophobicContact CB-CD2 3.76Å; H306-F431 HydrophobicContact CB-CE2 4.4Å; H306-F431 HydrophobicContact CB-CG 4.48Å; F431-L433 PolarHBondContact O-N 3.01Å; F431-I434 HydrophobicContact CB-CD1 4.15Å; F431-I434 WeakPolarHBondContact O-CB 3.46Å; F431-I434 PolarHBondContact O-N 2.83Å; F431-I434 VanDerWaalsContact O-N 3.08Å
432	T	97.7	Very high	97.8	Very high	43 Å²	43	31.3 Å²	31.3	26%	0.264	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-69.2	-12.7	179.8	74.7	0	0	0	0	113.2	Q292 L296 N430	Q292-T432 HydrophobicContact CB-CG2 3.99Å; Q292-T432 HydrophobicContact CG-CG2 3.99Å; L296-T432 HydrophobicContact CD1-CG2 3.9Å; N430-T432 PolarHBondContact ND2-OG1 3.48Å; N430-T432 VanDerWaalsContact ND2-OG1 3.1Å; N430-T432 PolarHBondContact O-N 3.38Å; N430-T432 VanDerWaalsContact O-N 3.1Å; N430-T432 PolarHBondContact OD1-N 2.86Å; N430-T432 PolarHBondContact OD1-OG1 3.28Å; N430-T432 VanDerWaalsContact OD1-OG1 3.04Å
433	L	97.6	Very high	97.8	Very high	70 Å²	70	28 Å²	28	37%	0.366	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	-99.2	-3.3	175.1	-58.4	178.2	0	0	0	113	Q164 N430 F431 P435	Q164-L433 PolarHBondContact NE2-O 3.37Å; N430-L433 HydrophobicContact CB-CD1 4.29Å; N430-L433 HydrophobicContact CB-CG 4.42Å; N430-L433 PolarHBondContact O-N 3.11Å; F431-L433 PolarHBondContact O-N 3.01Å; L433-P435 WeakPolarHBondContact O-CD 3.5Å
434	I	98.3	Very high	97.9	Very high	3 Å²	3	26.4 Å²	26.4	2%	0.015	14%	0.143	C	C	.	.	S	Bend	trans	-70.5	121.1	174.8	-59.6	173.9	0	0	0	108.1	P303 W378 A382 V385 K424 G427 F431 E436	P303-I434 HydrophobicContact CB-CD1 4.35Å; P303-I434 HydrophobicContact CG-CD1 3.96Å; W378-I434 HydrophobicContact CZ2-CD1 3.79Å; W378-I434 HydrophobicContact CZ2-CG1 4.17Å; A382-I434 HydrophobicContact CB-CD1 4.3Å; V385-I434 HydrophobicContact CB-CG2 3.9Å; V385-I434 HydrophobicContact CG1-CB 4.19Å; V385-I434 HydrophobicContact CG1-CG2 3.87Å; V385-I434 HydrophobicContact CG2-CD1 4.23Å; V385-I434 HydrophobicContact CG2-CG2 4.13Å; K424-I434 HydrophobicContact CB-CG2 4.39Å; K424-I434 HydrophobicContact CD-CG2 3.52Å; G427-I434 WeakPolarHBondContact O-CG1 3.43Å; F431-I434 HydrophobicContact CB-CD1 4.15Å; F431-I434 WeakPolarHBondContact O-CB 3.46Å; F431-I434 PolarHBondContact O-N 2.83Å; F431-I434 VanDerWaalsContact O-N 3.08Å; I434-E436 PolarHBondContact O-N 2.78Å
435	P	97.2	Very high	97.9	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.006	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-60.3	126.4	176.4	23.1	-34.2	0	0	0	111.5	M166 Y419 Q423 K424 L433	M166-P435 HydrophobicContact CE-CG 4.26Å; Y419-P435 HydrophobicContact CD1-CB 3.94Å; Y419-P435 HydrophobicContact CD1-CG 4.18Å; Y419-P435 HydrophobicContact CD2-CB 3.78Å; Y419-P435 HydrophobicContact CD2-CG 4.28Å; Y419-P435 HydrophobicContact CE1-CB 4.02Å; Y419-P435 HydrophobicContact CE2-CB 3.86Å; Y419-P435 HydrophobicContact CG-CB 3.82Å; Y419-P435 HydrophobicContact CG-CG 3.94Å; Q423-P435 HydrophobicContact CB-CG 4.5Å; Q423-P435 WeakPolarHBondContact O-CD 3.5Å; Q423-P435 WeakPolarHBondContact O-CG 3.4Å; K424-P435 HydrophobicContact CD-CG 4.32Å; K424-P435 WeakPolarHBondContact CE-O 3.36Å; K424-P435 PolarHBondContact NZ-O 2.93Å; L433-P435 WeakPolarHBondContact O-CD 3.5Å
436	E	96.6	Very high	97.9	Very high	29 Å²	29	24.6 Å²	24.6	14%	0.136	13%	0.129	C	C	.	.	P	Polyproline II helix	trans	-83.5	121.9	-172.1	-55.2	174.8	175.7	0	0	111.5	Y253 H306 R310 S387 Y419 I434	Y253-E436 WeakPolarHBondContact CE1-OE2 3.47Å; Y253-E436 VanDerWaalsContact CZ-OE2 3.31Å; Y253-E436 PolarHBondContact OH-OE2 2.93Å; H306-E436 IonicContact CE1-OE1 2.8Å; R310-E436 IonicContact CZ-OE1 3.34Å; R310-E436 VanDerWaalsContact CZ-OE1 3.32Å; R310-E436 IonicContact NH1-OE1 2.96Å; R310-E436 PolarHBondContact NH1-OE1 3.03Å; R310-E436 VanDerWaalsContact NH1-OE1 3.1Å; R310-E436 IonicContact NH1-OE2 3.57Å; R310-E436 IonicContact NH2-OE1 2.91Å; R310-E436 PolarHBondContact NH2-OE1 2.89Å; S387-E436 VanDerWaalsContact CB-OE2 3.24Å; S387-E436 WeakPolarHBondContact CB-OE2 3.45Å; S387-E436 PolarHBondContact OG-OE1 3.18Å; S387-E436 PolarHBondContact OG-OE2 3.4Å; Y419-E436 WeakPolarHBondContact CE2-O 3.43Å; I434-E436 PolarHBondContact O-N 2.78Å
437	G	97	Very high	98	Very high	2 Å²	2	21.2 Å²	21.2	2%	0.021	11%	0.108	C	C	.	.			trans	152.6	157.4	179.5	0	0	0	0	0	114	V385 C417 K424	V385-G437 PolarHBondContact O-N 3.27Å; C417-G437 CarbonylContact O-C 3.44Å; C417-G437 VanDerWaalsContact O-CA 3.23Å; C417-G437 WeakPolarHBondContact O-CA 3.36Å; K424-G437 PolarHBondContact NZ-O 2.94Å
438	V	98.3	Very high	98	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.018	11%	0.109	C	C	.	.	B	Isolated β-bridge	trans	-138	169.2	-173.1	-72.1	0	0	0	0	111.6	A364 A383 T386 H416 C417 I516	A364-V438 HydrophobicContact CB-CG2 4.11Å; A383-V438 WeakPolarHBondContact O-CG1 3.46Å; T386-V438 HydrophobicContact CG2-CG1 4.26Å; H416-V438 WeakPolarHBondContact CA-O 3.47Å; C417-V438 CarbonylContact C-O 3.52Å; C417-V438 PolarHBondContact N-O 3.13Å; C417-V438 PolarHBondContact O-N 3.42Å; V438-I516 HydrophobicContact CB-CD1 3.99Å; V438-I516 HydrophobicContact CB-CG2 4.15Å; V438-I516 HydrophobicContact CG1-CD1 4.33Å; V438-I516 HydrophobicContact CG1-CG2 3.89Å; V438-I516 HydrophobicContact CG2-CD1 4.18Å
439	N	98	Very high	98.1	Very high	4 Å²	4	16.3 Å²	16.3	2%	0.021	9%	0.087	C	C	.	.			trans	-82.2	173.3	168.2	75	-78.6	0	0	0	112.1	H416 P418 E443 N515 I516	H416-N439 WeakPolarHBondContact ND1-CA 3.5Å; P418-N439 HydrophobicContact CB-CB 4.5Å; N439-E443 VanDerWaalsContact ND2-CD 3.33Å; N439-E443 PolarHBondContact ND2-OE1 2.84Å; N439-E443 PolarHBondContact ND2-OE2 2.67Å; N439-N515 VanDerWaalsContact ND2-CG 3.27Å; N439-N515 PolarHBondContact ND2-OD1 3.18Å; N439-N515 WeakPolarHBondContact OD1-CA 3.35Å; N439-I516 PolarHBondContact OD1-N 3.44Å
440	G	98.1	Very high	98.1	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.06	C	C	.	.			trans	158.3	-13.2	179.1	0	0	0	0	0	116.4	S414 H416 E442 E443 R444	S414-G440 VanDerWaalsContact CB-C 3.43Å; H416-G440 PolarHBondContact ND1-N 3.32Å; G440-E442 PolarHBondContact O-N 3.31Å; G440-E443 WeakPolarHBondContact CA-OE2 3.13Å; G440-E443 PolarHBondContact N-OE2 2.75Å; G440-E443 PolarHBondContact O-N 2.92Å; G440-R444 WeakPolarHBondContact O-CB 3.36Å; G440-R444 PolarHBondContact O-N 3.48Å
441	I	98.6	Very high	98.1	Very high	2 Å²	2	12.2 Å²	12.2	1%	0.01	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-33.1	-172.5	-160.4	170.8	0	0	0	113.9	T157 A178 A179 I187 H416	T157-I441 HydrophobicContact CG2-CD1 3.73Å; T157-I441 HydrophobicContact CG2-CG1 4.31Å; A178-I441 HydrophobicContact CB-CG2 3.84Å; A179-I441 HydrophobicContact CB-CD1 3.92Å; A179-I441 HydrophobicContact CB-CG1 3.76Å; I187-I441 HydrophobicContact CG2-CD1 4.04Å; H416-I441 HydrophobicContact CB-CB 3.85Å; H416-I441 VanDerWaalsContact CE1-CG2 3.46Å; H416-I441 WeakPolarHBondContact CE1-CG2 3.28Å
442	E	98.4	Very high	98.1	Very high	5 Å²	5	12.2 Å²	12.2	2%	0.023	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-35.6	172.2	-174.3	-176.2	136.2	0	0	110.5	A178 V181 G182 G440 K501 H508 K509	A178-E442 HydrophobicContact CB-CB 4.27Å; V181-E442 HydrophobicContact CB-CG 4.32Å; V181-E442 HydrophobicContact CG1-CG 4.15Å; G182-E442 WeakPolarHBondContact CA-O 3.43Å; G440-E442 PolarHBondContact O-N 3.31Å; E442-K501 IonicContact OE1-NZ 3.81Å; E442-K501 PolarHBondContact OE1-NZ 3.24Å; E442-H508 VanDerWaalsContact OE2-CA 3.25Å; E442-H508 WeakPolarHBondContact OE2-CA 3.38Å; E442-K509 PolarHBondContact OE2-N 3.2Å
443	E	98.3	Very high	98.1	Very high	5 Å²	5	11.4 Å²	11.4	2%	0.023	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-26.3	-168.8	-60.2	83.6	-177.6	0	0	113.8	N439 G440 M445 T446 V447 I503 H508 N515 F517	N439-E443 VanDerWaalsContact ND2-CD 3.33Å; N439-E443 PolarHBondContact ND2-OE1 2.84Å; N439-E443 PolarHBondContact ND2-OE2 2.67Å; G440-E443 WeakPolarHBondContact CA-OE2 3.13Å; G440-E443 PolarHBondContact N-OE2 2.75Å; G440-E443 PolarHBondContact O-N 2.92Å; E443-M445 PolarHBondContact O-N 3.28Å; E443-T446 PolarHBondContact O-N 3.46Å; E443-V447 HydrophobicContact CB-CG2 4.04Å; E443-V447 WeakPolarHBondContact O-CG2 3.07Å; E443-V447 PolarHBondContact O-N 3.44Å; E443-I503 HydrophobicContact CB-CD1 4.24Å; E443-I503 HydrophobicContact CG-CD1 4.06Å; E443-I503 HydrophobicContact CG-CG2 3.89Å; E443-H508 IonicContact OE1-ND1 3.74Å; E443-N515 PolarHBondContact OE1-ND2 3.11Å; E443-F517 HydrophobicContact CB-CD2 3.81Å; E443-F517 HydrophobicContact CB-CE2 3.92Å; E443-F517 HydrophobicContact CG-CD2 3.8Å; E443-F517 HydrophobicContact CG-CE2 4.3Å
444	R	98.6	Very high	98.1	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-45.4	-53.9	-170.2	-174.9	-176	68	96.7	9	114.1	I153 D154 T184 A363 T412 G413 G440 V447 V448 T467	I153-R444 PolarHBondContact O-NH1 3.3Å; I153-R444 VanDerWaalsContact O-NH1 3.15Å; D154-R444 IonicContact OD2-NE 3.29Å; T184-R444 PolarHBondContact OG1-NH2 2.92Å; A363-R444 HydrophobicContact CB-CB 4.12Å; A363-R444 HydrophobicContact CB-CG 4.3Å; T412-R444 WeakPolarHBondContact O-CD 3.23Å; T412-R444 PolarHBondContact O-NH1 2.89Å; T412-R444 PolarHBondContact OG1-NH1 2.98Å; G413-R444 VanDerWaalsContact C-CD 3.44Å; G440-R444 WeakPolarHBondContact O-CB 3.36Å; G440-R444 PolarHBondContact O-N 3.48Å; R444-V447 PolarHBondContact O-N 2.84Å; R444-V448 WeakPolarHBondContact O-CB 3.45Å; R444-V448 VanDerWaalsContact O-CG2 3.23Å; R444-V448 WeakPolarHBondContact O-CG2 3.44Å; R444-V448 PolarHBondContact O-N 2.68Å; R444-T467 PolarHBondContact NH1-O 2.85Å; R444-T467 PolarHBondContact NH2-O 3.4Å
445	M	98.6	Very high	98	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-62.7	-45.6	-178	-62.7	-66.7	-75.5	0	0	111.5	I149 G182 E443 W449 F463 T467 W495	I149-M445 HydrophobicContact CD1-CE 4.07Å; G182-M445 VanDerWaalsContact O-CB 3.31Å; G182-M445 WeakPolarHBondContact O-CB 3.36Å; G182-M445 VanDerWaalsContact O-CG 3.27Å; G182-M445 WeakPolarHBondContact O-CG 3.45Å; E443-M445 PolarHBondContact O-N 3.28Å; M445-W449 WeakPolarHBondContact O-CB 3.36Å; M445-W449 PolarHBondContact O-N 3.32Å; M445-F463 HydrophobicContact CB-CZ 4.46Å; M445-F463 HydrophobicContact CE-CE1 3.93Å; M445-F463 HydrophobicContact CE-CZ 3.77Å; M445-F463 WeakPolarHBondContact O-CE2 3.4Å; M445-F463 HydrophobicContact SD-CZ 4.46Å; M445-T467 HydrophobicContact CE-CG2 4.44Å; M445-T467 VanDerWaalsContact SD-CB 3.59Å; M445-T467 HydrophobicContact SD-CG2 3.86Å; M445-W495 HydrophobicContact CB-CH2 3.77Å; M445-W495 HydrophobicContact CB-CZ3 3.8Å
446	T	98.3	Very high	98	Very high	3 Å²	3	17.2 Å²	17.2	2%	0.018	12%	0.115	C	C	.	.	H	α-helix	trans	-66.8	-42.5	180	-68.1	0	0	0	0	112	E443 W449 D450 C522 G524	E443-T446 PolarHBondContact O-N 3.46Å; T446-W449 PolarHBondContact O-N 2.86Å; T446-D450 WeakPolarHBondContact O-CB 3.37Å; T446-D450 PolarHBondContact O-N 3.02Å; T446-C522 HydrophobicContact CG2-CB 3.26Å; T446-G524 WeakPolarHBondContact CG2-O 3.33Å; T446-G524 PolarHBondContact OG1-O 3.17Å; T446-G524 VanDerWaalsContact OG1-O 3.05Å
447	V	98.6	Very high	98.1	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-65.1	-45	177.9	170.2	0	0	0	0	111.4	E443 R444 K451 I503 F517 M520	E443-V447 HydrophobicContact CB-CG2 4.04Å; E443-V447 WeakPolarHBondContact O-CG2 3.07Å; E443-V447 PolarHBondContact O-N 3.44Å; R444-V447 PolarHBondContact O-N 2.84Å; V447-K451 HydrophobicContact CG1-CG 4.43Å; V447-K451 VanDerWaalsContact O-CB 3.28Å; V447-K451 WeakPolarHBondContact O-CB 3.26Å; V447-K451 VanDerWaalsContact O-CG 3.31Å; V447-K451 WeakPolarHBondContact O-CG 3.32Å; V447-K451 PolarHBondContact O-N 3.46Å; V447-I503 HydrophobicContact CG2-CD1 4.05Å; V447-F517 HydrophobicContact CG2-CD1 4.23Å; V447-F517 HydrophobicContact CG2-CE1 4.29Å; V447-F517 HydrophobicContact CG2-CG 4.35Å; V447-F517 HydrophobicContact CG2-CZ 4.46Å; V447-M520 HydrophobicContact CG2-SD 4.25Å
448	V	98.6	Very high	98.2	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.012	12%	0.122	C	C	.	.	H	α-helix	trans	-65.7	-40.4	177.5	177	0	0	0	0	110.9	L366 T412 R444 A452 F463 V466 T467	L366-V448 HydrophobicContact CD1-CG2 3.94Å; T412-V448 HydrophobicContact CG2-CG2 3.94Å; R444-V448 WeakPolarHBondContact O-CB 3.45Å; R444-V448 VanDerWaalsContact O-CG2 3.23Å; R444-V448 WeakPolarHBondContact O-CG2 3.44Å; R444-V448 PolarHBondContact O-N 2.68Å; V448-A452 WeakPolarHBondContact O-CB 3.48Å; V448-A452 PolarHBondContact O-N 2.76Å; V448-F463 HydrophobicContact CB-CE2 4.17Å; V448-F463 HydrophobicContact CG1-CD2 3.92Å; V448-F463 HydrophobicContact CG1-CE2 4.05Å; V448-V466 HydrophobicContact CG1-CG2 4.25Å; V448-T467 HydrophobicContact CB-CG2 4.4Å; V448-T467 HydrophobicContact CG1-CG2 4.06Å
449	W	98.7	Very high	98.2	Very high	13 Å²	13	22.7 Å²	22.7	5%	0.049	14%	0.141	C	C	.	.	I	π-helix	trans	-60.9	-52.9	176	-178.1	-87	0	0	0	112	M147 M445 T446 K451 V453 A454 E460 F463 W495 P497 H523 G524	M147-W449 HydrophobicContact CE-CH2 3.52Å; M147-W449 HydrophobicContact CE-CZ3 3.63Å; M147-W449 HydrophobicContact SD-CH2 3.54Å; M147-W449 VanDerWaalsContact SD-CH2 3.54Å; M147-W449 HydrophobicContact SD-CZ2 4.26Å; M147-W449 HydrophobicContact SD-CZ3 4.13Å; M445-W449 WeakPolarHBondContact O-CB 3.36Å; M445-W449 PolarHBondContact O-N 3.32Å; T446-W449 PolarHBondContact O-N 2.86Å; W449-K451 PolarHBondContact O-N 2.86Å; W449-V453 HydrophobicContact CD2-CB 3.97Å; W449-V453 HydrophobicContact CD2-CG1 4.29Å; W449-V453 HydrophobicContact CD2-CG2 4.24Å; W449-V453 HydrophobicContact CE3-CB 4.02Å; W449-V453 HydrophobicContact CE3-CG1 4.19Å; W449-V453 HydrophobicContact CE3-CG2 3.85Å; W449-V453 HydrophobicContact CG-CB 4.46Å; W449-V453 HydrophobicContact CH2-CB 4.31Å; W449-V453 HydrophobicContact CH2-CG1 3.6Å; W449-V453 HydrophobicContact CZ2-CB 4.28Å; W449-V453 HydrophobicContact CZ2-CG1 3.71Å; W449-V453 HydrophobicContact CZ3-CB 4.19Å; W449-V453 HydrophobicContact CZ3-CG1 3.85Å; W449-V453 HydrophobicContact CZ3-CG2 4.06Å; W449-V453 WeakPolarHBondContact O-CA 3.44Å; W449-V453 WeakPolarHBondContact O-CB 3.33Å; W449-V453 PolarHBondContact O-N 2.77Å; W449-A454 PolarHBondContact O-N 2.93Å; W449-E460 HydrophobicContact CH2-CB 4.41Å; W449-E460 HydrophobicContact CZ3-CB 4.44Å; W449-F463 HydrophobicContact CB-CD2 4.45Å; W449-F463 HydrophobicContact CB-CE2 3.82Å; W449-F463 HydrophobicContact CB-CZ 4.18Å; W449-F463 AromaticContact CE3-CD1 3.73Å; W449-F463 HydrophobicContact CE3-CD1 3.73Å; W449-F463 AromaticContact CE3-CD2 3.97Å; W449-F463 HydrophobicContact CE3-CD2 3.97Å; W449-F463 AromaticContact CE3-CE1 3.78Å; W449-F463 HydrophobicContact CE3-CE1 3.78Å; W449-F463 HydrophobicContact CE3-CE2 4.02Å; W449-F463 AromaticContact CE3-CG 3.83Å; W449-F463 HydrophobicContact CE3-CG 3.83Å; W449-F463 AromaticContact CE3-CZ 3.92Å; W449-F463 HydrophobicContact CE3-CZ 3.92Å; W449-F463 AromaticContact CZ3-CD1 3.92Å; W449-F463 HydrophobicContact CZ3-CD1 3.92Å; W449-F463 HydrophobicContact CZ3-CE1 4.27Å; W449-F463 HydrophobicContact CZ3-CG 4.15Å; W449-W495 HydrophobicContact CB-CZ2 3.68Å; W449-W495 HydrophobicContact CD2-CZ2 4.13Å; W449-W495 AromaticContact CD2-NE1 3.41Å; W449-W495 AromaticContact CE2-NE1 3.67Å; W449-W495 HydrophobicContact CE3-CZ2 4.45Å; W449-W495 AromaticContact CE3-NE1 3.58Å; W449-W495 AromaticContact CG-CZ2 3.77Å; W449-W495 HydrophobicContact CG-CZ2 3.77Å; W449-W495 AromaticContact CG-NE1 3.89Å; W449-P497 HydrophobicContact CH2-CB 4.11Å; W449-P497 HydrophobicContact CZ2-CB 3.36Å; W449-P497 PolarHBondContact NE1-O 2.77Å; W449-H523 VanDerWaalsContact CD1-O 3.29Å; W449-G524 VanDerWaalsContact CD1-CA 3.42Å
450	D	98.3	Very high	98.2	Very high	12 Å²	12	24.3 Å²	24.3	6%	0.064	15%	0.148	C	C	.	.	I	π-helix	trans	-60.8	-46.5	-179.2	-177.9	78.3	0	0	0	111.8	T446 C522 H523	T446-D450 WeakPolarHBondContact O-CB 3.37Å; T446-D450 PolarHBondContact O-N 3.02Å; D450-C522 HydrophobicContact CB-CB 3.84Å; D450-C522 WeakPolarHBondContact OD1-CA 3.38Å; D450-H523 IonicContact OD1-CE1 2.96Å; D450-H523 IonicContact OD1-CG 2.66Å; D450-H523 PolarHBondContact OD1-N 3.38Å; D450-H523 IonicContact OD1-ND1 3.25Å; D450-H523 PolarHBondContact OD1-ND1 3.18Å
451	K	98	Very high	98.2	Very high	59 Å²	59	25.7 Å²	25.7	26%	0.257	16%	0.156	S	C	.	.	I	π-helix	trans	-77.2	-31.6	-173.9	-67.6	-76.5	166.5	-84.7	0	113.8	T401 V447 W449 T455 M520	T401-K451 HydrophobicContact CG2-CB 4.42Å; T401-K451 WeakPolarHBondContact CG2-O 3.37Å; V447-K451 HydrophobicContact CG1-CG 4.43Å; V447-K451 VanDerWaalsContact O-CB 3.28Å; V447-K451 WeakPolarHBondContact O-CB 3.26Å; V447-K451 VanDerWaalsContact O-CG 3.31Å; V447-K451 WeakPolarHBondContact O-CG 3.32Å; V447-K451 PolarHBondContact O-N 3.46Å; W449-K451 PolarHBondContact O-N 2.86Å; K451-T455 WeakPolarHBondContact O-CG2 3.36Å; K451-T455 PolarHBondContact O-OG1 3.11Å; K451-M520 HydrophobicContact CD-CE 4.41Å; K451-M520 HydrophobicContact CG-CE 4.4Å
452	A	98	Very high	98.2	Very high	1 Å²	1	29 Å²	29	1%	0.008	17%	0.171	C	C	.	.	I	π-helix	trans	-104.7	-45.9	-175.7	0	0	0	0	0	113.6	T401 V448 T455 K457 M458	T401-A452 HydrophobicContact CG2-CB 3.66Å; V448-A452 WeakPolarHBondContact O-CB 3.48Å; V448-A452 PolarHBondContact O-N 2.76Å; A452-T455 PolarHBondContact O-OG1 2.8Å; A452-K457 WeakPolarHBondContact O-CA 3.26Å; A452-K457 WeakPolarHBondContact O-CB 3.29Å; A452-K457 PolarHBondContact O-N 3.27Å; A452-M458 HydrophobicContact CB-CB 3.68Å; A452-M458 HydrophobicContact CB-CE 3.99Å; A452-M458 HydrophobicContact CB-CG 4.38Å; A452-M458 HydrophobicContact CB-SD 3.88Å; A452-M458 PolarHBondContact O-N 2.84Å
453	V	98.4	Very high	98.2	Very high	25 Å²	25	28.7 Å²	28.7	15%	0.152	17%	0.17	C	C	.	.	I	π-helix	trans	-90.4	-49.6	-171.7	-171.6	0	0	0	0	111.6	W449 T455 G456 M458 F463	W449-V453 HydrophobicContact CD2-CB 3.97Å; W449-V453 HydrophobicContact CD2-CG1 4.29Å; W449-V453 HydrophobicContact CD2-CG2 4.24Å; W449-V453 HydrophobicContact CE3-CB 4.02Å; W449-V453 HydrophobicContact CE3-CG1 4.19Å; W449-V453 HydrophobicContact CE3-CG2 3.85Å; W449-V453 HydrophobicContact CG-CB 4.46Å; W449-V453 HydrophobicContact CH2-CB 4.31Å; W449-V453 HydrophobicContact CH2-CG1 3.6Å; W449-V453 HydrophobicContact CZ2-CB 4.28Å; W449-V453 HydrophobicContact CZ2-CG1 3.71Å; W449-V453 HydrophobicContact CZ3-CB 4.19Å; W449-V453 HydrophobicContact CZ3-CG1 3.85Å; W449-V453 HydrophobicContact CZ3-CG2 4.06Å; W449-V453 WeakPolarHBondContact O-CA 3.44Å; W449-V453 WeakPolarHBondContact O-CB 3.33Å; W449-V453 PolarHBondContact O-N 2.77Å; V453-T455 PolarHBondContact O-N 2.84Å; V453-G456 PolarHBondContact O-N 2.77Å; V453-M458 WeakPolarHBondContact CA-O 3.42Å; V453-M458 HydrophobicContact CG2-CB 4.41Å; V453-F463 HydrophobicContact CG2-CB 3.72Å; V453-F463 HydrophobicContact CG2-CD2 4.05Å; V453-F463 HydrophobicContact CG2-CG 4.11Å
454	A	97.5	Very high	98.3	Very high	52 Å²	52	28.5 Å²	28.5	43%	0.43	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-23.4	179.7	0	0	0	0	0	112.9	W449 H523	W449-A454 PolarHBondContact O-N 2.93Å; A454-H523 HydrophobicContact CB-CB 3.93Å
455	T	96.7	Very high	98.3	Very high	77 Å²	77	29.2 Å²	29.2	47%	0.472	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-7.5	171.2	59.5	0	0	0	0	114.2	K451 A452 V453	K451-T455 WeakPolarHBondContact O-CG2 3.36Å; K451-T455 PolarHBondContact O-OG1 3.11Å; A452-T455 PolarHBondContact O-OG1 2.8Å; V453-T455 PolarHBondContact O-N 2.84Å
456	G	97.6	Very high	98.3	Very high	67 Å²	67	29.5 Å²	29.5	69%	0.691	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.9	17.4	-179.1	0	0	0	0	0	115.4	V453	V453-G456 PolarHBondContact O-N 2.77Å
457	K	98	Very high	98.3	Very high	64 Å²	64	29.4 Å²	29.4	28%	0.278	18%	0.176	S	C	.	.	S	Bend	trans	-78.5	-31.9	174.3	-70.9	-176.3	166	-174.1	0	113.1	D398 T401 S402 A405 A452	D398-K457 PolarHBondContact O-NZ 3.44Å; D398-K457 IonicContact OD1-NZ 3.65Å; D398-K457 PolarHBondContact OD1-NZ 2.91Å; D398-K457 IonicContact OD2-NZ 2.66Å; D398-K457 PolarHBondContact OD2-NZ 2.85Å; T401-K457 HydrophobicContact CG2-CD 4.1Å; S402-K457 PolarHBondContact OG-NZ 3.44Å; A405-K457 HydrophobicContact CB-CB 4.33Å; A405-K457 WeakPolarHBondContact CB-O 3.39Å; A452-K457 WeakPolarHBondContact O-CA 3.26Å; A452-K457 WeakPolarHBondContact O-CB 3.29Å; A452-K457 PolarHBondContact O-N 3.27Å
458	M	97.8	Very high	98.3	Very high	8 Å²	8	29.4 Å²	29.4	4%	0.039	18%	0.176	C	C	.	.	S	Bend	trans	-133.1	141.8	-171.3	-173.3	-176	-75.6	0	0	108.9	L404 A405 A452 V453 Q462 F463 V466	L404-M458 HydrophobicContact CB-CE 4.36Å; L404-M458 HydrophobicContact CD2-CE 3.95Å; L404-M458 HydrophobicContact CG-CE 3.8Å; A405-M458 HydrophobicContact CB-CB 4.05Å; A405-M458 HydrophobicContact CB-CE 4.05Å; A452-M458 HydrophobicContact CB-CB 3.68Å; A452-M458 HydrophobicContact CB-CE 3.99Å; A452-M458 HydrophobicContact CB-CG 4.38Å; A452-M458 HydrophobicContact CB-SD 3.88Å; A452-M458 PolarHBondContact O-N 2.84Å; V453-M458 WeakPolarHBondContact CA-O 3.42Å; V453-M458 HydrophobicContact CG2-CB 4.41Å; M458-Q462 VanDerWaalsContact CA-OE1 3.31Å; M458-Q462 HydrophobicContact CG-CB 3.35Å; M458-Q462 HydrophobicContact CG-CG 4.39Å; M458-Q462 HydrophobicContact SD-CB 4.08Å; M458-F463 HydrophobicContact SD-CB 4.22Å; M458-V466 HydrophobicContact CE-CG1 4.2Å; M458-V466 HydrophobicContact CE-CG2 3.94Å; M458-V466 HydrophobicContact SD-CG2 3.94Å
459	D	98.4	Very high	98.3	Very high	77 Å²	77	29.3 Å²	29.3	41%	0.412	18%	0.175	S	C	.	.			trans	-84.3	169.9	169.1	69.5	45.9	0	0	0	112.4	N461 Q462 F463	D459-N461 VanDerWaalsContact C-N 3.27Å; D459-N461 PolarHBondContact O-N 3.02Å; D459-N461 WeakPolarHBondContact OD1-CA 3.38Å; D459-N461 WeakPolarHBondContact OD1-CB 3.3Å; D459-N461 PolarHBondContact OD1-N 3.23Å; D459-Q462 PolarHBondContact O-N 3.05Å; D459-Q462 WeakPolarHBondContact OD1-CG 3.5Å; D459-Q462 PolarHBondContact OD1-N 3.03Å; D459-F463 PolarHBondContact O-N 3.38Å
460	E	98.4	Very high	98.4	Very high	38 Å²	38	30.3 Å²	30.3	18%	0.178	18%	0.182	C	C	.	.	H	α-helix	trans	-61.9	-27.7	177.8	60	-172.9	-157.3	0	0	114.7	R106 I108 S113 M147 W449 F463 V464	R106-E460 IonicContact CZ-OE1 3.64Å; R106-E460 IonicContact CZ-OE2 3.53Å; R106-E460 VanDerWaalsContact CZ-OE2 3.25Å; R106-E460 IonicContact NH1-OE1 2.73Å; R106-E460 PolarHBondContact NH1-OE1 3.19Å; R106-E460 IonicContact NH1-OE2 2.71Å; R106-E460 PolarHBondContact NH1-OE2 3.12Å; R106-E460 IonicContact NH2-OE1 3.21Å; R106-E460 IonicContact NH2-OE2 3.49Å; R106-E460 PolarHBondContact NH2-OE2 3Å; I108-E460 HydrophobicContact CG2-CB 3.99Å; I108-E460 HydrophobicContact CG2-CG 3.84Å; S113-E460 VanDerWaalsContact CB-OE1 3.3Å; S113-E460 WeakPolarHBondContact CB-OE1 3.46Å; S113-E460 PolarHBondContact OG-OE1 3.21Å; M147-E460 HydrophobicContact CE-CB 3.64Å; W449-E460 HydrophobicContact CH2-CB 4.41Å; W449-E460 HydrophobicContact CZ3-CB 4.44Å; E460-F463 WeakPolarHBondContact O-CB 3.41Å; E460-V464 WeakPolarHBondContact O-CG2 3.48Å; E460-V464 PolarHBondContact O-N 2.88Å
461	N	98.8	Very high	98.4	Very high	29 Å²	29	29.7 Å²	29.7	16%	0.155	18%	0.179	C	C	.	.	H	α-helix	trans	-78.4	-43.1	-179.4	-56.5	105.7	0	0	0	109.4	I108 N109 Q112 S113 D459 F463 V464 A465	I108-N461 WeakPolarHBondContact CG2-ND2 3.46Å; N109-N461 WeakPolarHBondContact O-CA 3.38Å; N109-N461 WeakPolarHBondContact O-CB 3.46Å; N109-N461 PolarHBondContact O-ND2 3.3Å; Q112-N461 PolarHBondContact O-ND2 3.23Å; S113-N461 PolarHBondContact OG-ND2 2.96Å; S113-N461 PolarHBondContact OG-OD1 2.82Å; D459-N461 VanDerWaalsContact C-N 3.27Å; D459-N461 PolarHBondContact O-N 3.02Å; D459-N461 WeakPolarHBondContact OD1-CA 3.38Å; D459-N461 WeakPolarHBondContact OD1-CB 3.3Å; D459-N461 PolarHBondContact OD1-N 3.23Å; N461-F463 VanDerWaalsContact C-N 3.31Å; N461-F463 PolarHBondContact O-N 3.18Å; N461-V464 PolarHBondContact O-N 3.33Å; N461-A465 PolarHBondContact O-N 3.3Å
462	Q	98.7	Very high	98.4	Very high	71 Å²	71	26.9 Å²	26.9	33%	0.332	17%	0.166	S	C	.	.	H	α-helix	trans	-60.4	-38.3	169.2	-66.9	178.2	-42.5	0	0	111.9	A405 M458 D459 A465 V466	A405-Q462 PolarHBondContact O-NE2 3.23Å; M458-Q462 VanDerWaalsContact CA-OE1 3.31Å; M458-Q462 HydrophobicContact CG-CB 3.35Å; M458-Q462 HydrophobicContact CG-CG 4.39Å; M458-Q462 HydrophobicContact SD-CB 4.08Å; D459-Q462 PolarHBondContact O-N 3.05Å; D459-Q462 WeakPolarHBondContact OD1-CG 3.5Å; D459-Q462 PolarHBondContact OD1-N 3.03Å; Q462-A465 WeakPolarHBondContact O-CA 3.36Å; Q462-A465 WeakPolarHBondContact O-CB 3.45Å; Q462-A465 PolarHBondContact O-N 2.84Å; Q462-A465 VanDerWaalsContact O-N 3.14Å; Q462-V466 PolarHBondContact O-N 3.21Å
463	F	98.9	Very high	98.4	Very high	0 Å²	0	29 Å²	29	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-58.2	-48.6	172.9	172.5	-100.8	0	0	0	111.9	I149 M445 V448 W449 V453 M458 D459 E460 N461 A465 V466 T467 W495	I149-F463 HydrophobicContact CD1-CE1 3.89Å; M445-F463 HydrophobicContact CB-CZ 4.46Å; M445-F463 HydrophobicContact CE-CE1 3.93Å; M445-F463 HydrophobicContact CE-CZ 3.77Å; M445-F463 WeakPolarHBondContact O-CE2 3.4Å; M445-F463 HydrophobicContact SD-CZ 4.46Å; V448-F463 HydrophobicContact CB-CE2 4.17Å; V448-F463 HydrophobicContact CG1-CD2 3.92Å; V448-F463 HydrophobicContact CG1-CE2 4.05Å; W449-F463 HydrophobicContact CB-CD2 4.45Å; W449-F463 HydrophobicContact CB-CE2 3.82Å; W449-F463 HydrophobicContact CB-CZ 4.18Å; W449-F463 AromaticContact CE3-CD1 3.73Å; W449-F463 HydrophobicContact CE3-CD1 3.73Å; W449-F463 AromaticContact CE3-CD2 3.97Å; W449-F463 HydrophobicContact CE3-CD2 3.97Å; W449-F463 AromaticContact CE3-CE1 3.78Å; W449-F463 HydrophobicContact CE3-CE1 3.78Å; W449-F463 HydrophobicContact CE3-CE2 4.02Å; W449-F463 AromaticContact CE3-CG 3.83Å; W449-F463 HydrophobicContact CE3-CG 3.83Å; W449-F463 AromaticContact CE3-CZ 3.92Å; W449-F463 HydrophobicContact CE3-CZ 3.92Å; W449-F463 AromaticContact CZ3-CD1 3.92Å; W449-F463 HydrophobicContact CZ3-CD1 3.92Å; W449-F463 HydrophobicContact CZ3-CE1 4.27Å; W449-F463 HydrophobicContact CZ3-CG 4.15Å; V453-F463 HydrophobicContact CG2-CB 3.72Å; V453-F463 HydrophobicContact CG2-CD2 4.05Å; V453-F463 HydrophobicContact CG2-CG 4.11Å; M458-F463 HydrophobicContact SD-CB 4.22Å; D459-F463 PolarHBondContact O-N 3.38Å; E460-F463 WeakPolarHBondContact O-CB 3.41Å; N461-F463 VanDerWaalsContact C-N 3.31Å; N461-F463 PolarHBondContact O-N 3.18Å; F463-A465 VanDerWaalsContact C-N 3.28Å; F463-A465 PolarHBondContact O-N 2.72Å; F463-V466 PolarHBondContact O-N 2.92Å; F463-T467 HydrophobicContact CD2-CG2 3.94Å; F463-T467 HydrophobicContact CE2-CG2 3.7Å; F463-T467 HydrophobicContact CZ-CG2 4.1Å; F463-T467 WeakPolarHBondContact O-CB 3.33Å; F463-T467 WeakPolarHBondContact O-CG2 3.27Å; F463-T467 PolarHBondContact O-N 2.92Å; F463-T467 PolarHBondContact O-OG1 3.3Å; F463-W495 HydrophobicContact CZ-CZ2 4.36Å
464	V	98.9	Very high	98.5	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.006	17%	0.168	C	C	.	.	H	α-helix	trans	-60	-39.3	173.6	170.6	0	0	0	0	111.3	I108 I149 P150 E460 N461 S468 T469	I108-V464 HydrophobicContact CB-CG2 4.26Å; I108-V464 HydrophobicContact CG2-CG2 3.97Å; I149-V464 HydrophobicContact CB-CG2 4.1Å; I149-V464 HydrophobicContact CG2-CG2 4.19Å; P150-V464 HydrophobicContact CG-CG1 3.76Å; E460-V464 WeakPolarHBondContact O-CG2 3.48Å; E460-V464 PolarHBondContact O-N 2.88Å; N461-V464 PolarHBondContact O-N 3.33Å; V464-S468 PolarHBondContact O-N 3.4Å; V464-S468 VanDerWaalsContact O-N 3.1Å; V464-T469 PolarHBondContact O-N 3.39Å; V464-T469 PolarHBondContact O-OG1 2.79Å
465	A	98.9	Very high	98.5	Very high	14 Å²	14	25.3 Å²	25.3	12%	0.116	15%	0.148	C	C	.	.	I	π-helix	trans	-60.6	-51.4	177.6	0	0	0	0	0	112.5	D110 N461 Q462 F463 T469 N470	D110-A465 HydrophobicContact CB-CB 3.93Å; N461-A465 PolarHBondContact O-N 3.3Å; Q462-A465 WeakPolarHBondContact O-CA 3.36Å; Q462-A465 WeakPolarHBondContact O-CB 3.45Å; Q462-A465 PolarHBondContact O-N 2.84Å; Q462-A465 VanDerWaalsContact O-N 3.14Å; F463-A465 VanDerWaalsContact C-N 3.28Å; F463-A465 PolarHBondContact O-N 2.72Å; A465-T469 PolarHBondContact O-N 2.79Å; A465-N470 WeakPolarHBondContact O-CB 3.39Å; A465-N470 PolarHBondContact O-N 2.66Å; A465-N470 PolarHBondContact O-ND2 3.37Å
466	V	98.8	Very high	98.6	Very high	6 Å²	6	24.3 Å²	24.3	4%	0.036	14%	0.139	C	C	.	.	I	π-helix	trans	-79.3	-24.5	-174	-56.7	0	0	0	0	114	L404 V411 T412 V448 M458 Q462 F463	L404-V466 HydrophobicContact CD1-CB 3.98Å; L404-V466 HydrophobicContact CD1-CG1 3.83Å; L404-V466 HydrophobicContact CD2-CB 4.45Å; L404-V466 HydrophobicContact CD2-CG2 4.12Å; L404-V466 HydrophobicContact CG-CB 4.26Å; L404-V466 HydrophobicContact CG-CG1 4.02Å; L404-V466 HydrophobicContact CG-CG2 4.34Å; V411-V466 WeakPolarHBondContact CA-O 3.45Å; T412-V466 HydrophobicContact CG2-CG2 4.4Å; T412-V466 PolarHBondContact N-O 2.95Å; T412-V466 PolarHBondContact OG1-O 3.49Å; V448-V466 HydrophobicContact CG1-CG2 4.25Å; M458-V466 HydrophobicContact CE-CG1 4.2Å; M458-V466 HydrophobicContact CE-CG2 3.94Å; M458-V466 HydrophobicContact SD-CG2 3.94Å; Q462-V466 PolarHBondContact O-N 3.21Å; F463-V466 PolarHBondContact O-N 2.92Å
467	T	98.9	Very high	98.6	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.006	11%	0.108	C	C	.	.	I	π-helix	trans	-94	-15.9	-178.9	60	0	0	0	0	114.7	I153 R444 M445 V448 F463	I153-T467 PolarHBondContact N-O 2.81Å; R444-T467 PolarHBondContact NH1-O 2.85Å; R444-T467 PolarHBondContact NH2-O 3.4Å; M445-T467 HydrophobicContact CE-CG2 4.44Å; M445-T467 VanDerWaalsContact SD-CB 3.59Å; M445-T467 HydrophobicContact SD-CG2 3.86Å; V448-T467 HydrophobicContact CB-CG2 4.4Å; V448-T467 HydrophobicContact CG1-CG2 4.06Å; F463-T467 HydrophobicContact CD2-CG2 3.94Å; F463-T467 HydrophobicContact CE2-CG2 3.7Å; F463-T467 HydrophobicContact CZ-CG2 4.1Å; F463-T467 WeakPolarHBondContact O-CB 3.33Å; F463-T467 WeakPolarHBondContact O-CG2 3.27Å; F463-T467 PolarHBondContact O-N 2.92Å; F463-T467 PolarHBondContact O-OG1 3.3Å
468	S	98.9	Very high	98.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.111	C	C	.	.	I	π-helix	trans	-148.9	-57.7	-175.9	-163.3	0	0	0	0	113.7	G151 V464 N470 A471 A472 G482	G151-S468 WeakPolarHBondContact O-CB 3.31Å; G151-S468 PolarHBondContact O-OG 3.33Å; V464-S468 PolarHBondContact O-N 3.4Å; V464-S468 VanDerWaalsContact O-N 3.1Å; S468-N470 PolarHBondContact O-N 3.1Å; S468-A471 WeakPolarHBondContact O-CB 3.2Å; S468-A471 PolarHBondContact O-N 2.76Å; S468-A472 PolarHBondContact O-N 2.84Å; S468-G482 VanDerWaalsContact OG-CA 3.26Å; S468-G482 WeakPolarHBondContact OG-CA 3.38Å
469	T	98.9	Very high	98.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.13	C	C	.	.	I	π-helix	trans	-69.5	-38.4	-166.4	-45.7	0	0	0	0	114.4	D110 V464 A465 A472 K473 Y478 G482	D110-T469 HydrophobicContact CB-CG2 4.1Å; V464-T469 PolarHBondContact O-N 3.39Å; V464-T469 PolarHBondContact O-OG1 2.79Å; A465-T469 PolarHBondContact O-N 2.79Å; T469-A472 PolarHBondContact O-N 3.4Å; T469-K473 HydrophobicContact CG2-CD 4.13Å; T469-K473 WeakPolarHBondContact O-CG 3.41Å; T469-K473 PolarHBondContact O-N 2.69Å; T469-Y478 HydrophobicContact CG2-CD2 3.65Å; T469-Y478 HydrophobicContact CG2-CE2 3.46Å; T469-Y478 VanDerWaalsContact CG2-CE2 3.46Å; T469-G482 WeakPolarHBondContact CB-O 3.4Å; T469-G482 WeakPolarHBondContact CG2-O 3.36Å; T469-G482 PolarHBondContact OG1-O 3.48Å
470	N	98.8	Very high	98.7	Very high	34 Å²	34	26.3 Å²	26.3	18%	0.182	13%	0.128	C	C	.	.	H	α-helix	trans	-68.3	-41.2	179.3	-70.4	-20.1	0	0	0	111.2	Q410 V411 A465 S468 A472 K473 I474	Q410-N470 WeakPolarHBondContact O-CB 3.5Å; Q410-N470 PolarHBondContact O-ND2 3.1Å; V411-N470 HydrophobicContact CG2-CB 3.98Å; A465-N470 WeakPolarHBondContact O-CB 3.39Å; A465-N470 PolarHBondContact O-N 2.66Å; A465-N470 PolarHBondContact O-ND2 3.37Å; S468-N470 PolarHBondContact O-N 3.1Å; N470-A472 VanDerWaalsContact C-N 3.32Å; N470-A472 PolarHBondContact O-N 2.6Å; N470-K473 PolarHBondContact O-N 2.77Å; N470-I474 WeakPolarHBondContact O-CB 3.46Å; N470-I474 WeakPolarHBondContact O-CD1 3.45Å; N470-I474 VanDerWaalsContact O-CG1 3.27Å; N470-I474 WeakPolarHBondContact O-CG1 3.26Å; N470-I474 PolarHBondContact O-N 3.46Å
471	A	98.8	Very high	98.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-55.2	-48.5	169.7	0	0	0	0	0	111.1	I153 V155 V411 S468 K473 I474 F475	I153-A471 HydrophobicContact CB-CB 4.1Å; I153-A471 HydrophobicContact CG2-CB 4.06Å; V155-A471 HydrophobicContact CG1-CB 3.45Å; V155-A471 VanDerWaalsContact CG1-CB 3.45Å; V411-A471 HydrophobicContact CG1-CB 4.02Å; S468-A471 WeakPolarHBondContact O-CB 3.2Å; S468-A471 PolarHBondContact O-N 2.76Å; A471-K473 VanDerWaalsContact C-N 3.33Å; A471-K473 PolarHBondContact O-N 3.48Å; A471-I474 PolarHBondContact O-N 2.91Å; A471-F475 WeakPolarHBondContact O-CD2 3.39Å; A471-F475 PolarHBondContact O-N 2.87Å
472	A	98.8	Very high	98.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-61.9	-37.3	178.3	0	0	0	0	0	113.1	I153 S468 T469 N470 N476 L477 Y478 K481	I153-A472 HydrophobicContact CD1-CB 3.84Å; S468-A472 PolarHBondContact O-N 2.84Å; T469-A472 PolarHBondContact O-N 3.4Å; N470-A472 VanDerWaalsContact C-N 3.32Å; N470-A472 PolarHBondContact O-N 2.6Å; A472-N476 PolarHBondContact O-N 2.95Å; A472-L477 HydrophobicContact CB-CB 4.13Å; A472-L477 PolarHBondContact O-N 3.16Å; A472-Y478 PolarHBondContact O-N 3.3Å; A472-K481 WeakPolarHBondContact CB-O 3.32Å
473	K	98.7	Very high	98.7	Very high	44 Å²	44	22.2 Å²	22.2	19%	0.191	11%	0.108	C	C	.	.	H	α-helix	trans	-71.9	-41.9	177.1	-72.8	167.2	-178.8	162.2	0	112.6	D110 T469 N470 A471 Y478 H560	D110-K473 IonicContact OD2-NZ 2.87Å; D110-K473 PolarHBondContact OD2-NZ 3.42Å; T469-K473 HydrophobicContact CG2-CD 4.13Å; T469-K473 WeakPolarHBondContact O-CG 3.41Å; T469-K473 PolarHBondContact O-N 2.69Å; N470-K473 PolarHBondContact O-N 2.77Å; A471-K473 VanDerWaalsContact C-N 3.33Å; A471-K473 PolarHBondContact O-N 3.48Å; K473-Y478 HydrophobicContact CG-CD1 4.08Å; K473-Y478 HydrophobicContact CG-CD2 4.11Å; K473-Y478 HydrophobicContact CG-CG 3.74Å; K473-H560 HydrophobicContact CB-CB 4.33Å
474	I	98.6	Very high	98.7	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-68.6	-45.8	-179.1	-70.9	164.1	0	0	0	110.7	V277 Y334 F358 V411 N470 A471 P558 L561	V277-I474 HydrophobicContact CG1-CG2 4.14Å; Y334-I474 HydrophobicContact CD2-CG2 4.15Å; Y334-I474 HydrophobicContact CE2-CD1 4.26Å; Y334-I474 HydrophobicContact CE2-CG2 4.25Å; F358-I474 HydrophobicContact CD1-CD1 3.55Å; F358-I474 HydrophobicContact CD1-CG1 4.17Å; F358-I474 HydrophobicContact CE1-CD1 3.88Å; F358-I474 HydrophobicContact CE1-CG1 4.04Å; F358-I474 HydrophobicContact CG-CD1 4.24Å; V411-I474 HydrophobicContact CG2-CD1 3.56Å; N470-I474 WeakPolarHBondContact O-CB 3.46Å; N470-I474 WeakPolarHBondContact O-CD1 3.45Å; N470-I474 VanDerWaalsContact O-CG1 3.27Å; N470-I474 WeakPolarHBondContact O-CG1 3.26Å; N470-I474 PolarHBondContact O-N 3.46Å; A471-I474 PolarHBondContact O-N 2.91Å; I474-P558 WeakPolarHBondContact O-CB 3.36Å; I474-P558 VanDerWaalsContact O-CG 3.32Å; I474-P558 WeakPolarHBondContact O-CG 3.24Å; I474-L561 HydrophobicContact CG1-CD2 4.41Å; I474-L561 HydrophobicContact CG2-CD1 4.37Å
475	F	98.7	Very high	98.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	10.4	-176.1	-60.4	-62.7	0	0	0	114.4	V155 I188 H221 N245 S246 V277 L279 Y334 A471 L477 R554	V155-F475 HydrophobicContact CB-CD2 4.45Å; V155-F475 HydrophobicContact CB-CE2 3.87Å; V155-F475 HydrophobicContact CG1-CD2 3.83Å; V155-F475 HydrophobicContact CG1-CE2 3.68Å; V155-F475 HydrophobicContact CG2-CE2 4.43Å; I188-F475 HydrophobicContact CD1-CB 4.1Å; I188-F475 HydrophobicContact CD1-CD2 3.83Å; I188-F475 HydrophobicContact CD1-CE2 4.48Å; I188-F475 HydrophobicContact CD1-CG 3.95Å; H221-F475 AromaticContact CE1-CD1 3.8Å; H221-F475 AromaticContact CE1-CE1 3.44Å; H221-F475 VanDerWaalsContact CE1-CE1 3.44Å; H221-F475 WeakPolarHBondContact CE1-CE1 3.35Å; H221-F475 AromaticContact CE1-CZ 3.74Å; H221-F475 AromaticContact NE2-CZ 3.93Å; N245-F475 PolarHBondContact ND2-O 3.3Å; S246-F475 WeakPolarHBondContact OG-CD1 3.19Å; V277-F475 HydrophobicContact CB-CD1 4.44Å; V277-F475 HydrophobicContact CB-CE1 4.13Å; V277-F475 HydrophobicContact CG1-CE1 4Å; V277-F475 HydrophobicContact CG2-CD1 4.12Å; V277-F475 HydrophobicContact CG2-CE1 4.28Å; L279-F475 HydrophobicContact CD1-CE1 4.18Å; Y334-F475 HydrophobicContact CD2-CZ 4.31Å; Y334-F475 HydrophobicContact CE2-CE2 4.23Å; Y334-F475 AromaticContact CE2-CZ 3.96Å; Y334-F475 HydrophobicContact CE2-CZ 3.96Å; A471-F475 WeakPolarHBondContact O-CD2 3.39Å; A471-F475 PolarHBondContact O-N 2.87Å; F475-L477 HydrophobicContact CB-CD1 4.47Å; F475-R554 WeakPolarHBondContact O-CD 3.37Å
476	N	98.6	Very high	98.7	Very high	55 Å²	55	27.3 Å²	27.3	29%	0.294	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	44	172.3	-150.4	16.2	0	0	0	115.2	A472 K555 P558	A472-N476 PolarHBondContact O-N 2.95Å; N476-K555 PolarHBondContact ND2-O 3.42Å; N476-P558 HydrophobicContact CB-CB 3.95Å; N476-P558 HydrophobicContact CB-CG 4.04Å
477	L	98.6	Very high	98.7	Very high	9 Å²	9	29.5 Å²	29.5	5%	0.047	16%	0.164	C	C	.	.			trans	-112.3	-9.2	176.3	-59.4	163.4	0	0	0	112.8	M186 A472 F475 R480 K481 I552 R554	M186-L477 HydrophobicContact CE-CD1 3.79Å; M186-L477 HydrophobicContact CE-CD2 4.23Å; M186-L477 HydrophobicContact SD-CD1 3.71Å; A472-L477 HydrophobicContact CB-CB 4.13Å; A472-L477 PolarHBondContact O-N 3.16Å; F475-L477 HydrophobicContact CB-CD1 4.47Å; L477-R480 WeakPolarHBondContact O-CA 3.45Å; L477-R480 VanDerWaalsContact O-CB 3.32Å; L477-R480 WeakPolarHBondContact O-CB 3.42Å; L477-R480 PolarHBondContact O-N 3.11Å; L477-K481 PolarHBondContact O-N 3.32Å; L477-I552 HydrophobicContact CD2-CB 4.39Å; L477-I552 HydrophobicContact CD2-CG2 3.45Å; L477-I552 VanDerWaalsContact CD2-CG2 3.45Å; L477-R554 HydrophobicContact CD2-CG 4.04Å
478	Y	98.7	Very high	98.6	Very high	82 Å²	82	29.6 Å²	29.6	32%	0.322	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	141.2	-177.4	-177.7	-92.7	0	0	0	112.4	T469 A472 K473 R483	T469-Y478 HydrophobicContact CG2-CD2 3.65Å; T469-Y478 HydrophobicContact CG2-CE2 3.46Å; T469-Y478 VanDerWaalsContact CG2-CE2 3.46Å; A472-Y478 PolarHBondContact O-N 3.3Å; K473-Y478 HydrophobicContact CG-CD1 4.08Å; K473-Y478 HydrophobicContact CG-CD2 4.11Å; K473-Y478 HydrophobicContact CG-CG 3.74Å; Y478-R483 HydrophobicContact CE2-CB 4.04Å; Y478-R483 HydrophobicContact CE2-CG 4.48Å; Y478-R483 WeakPolarHBondContact OH-CD 3.25Å
479	P	98.3	Very high	98.6	Very high	70 Å²	70	30.1 Å²	30.1	46%	0.455	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	cis	-90.5	9.6	-1.3	37.7	-36.6	0	0	0	113.8	K481 S488	P479-K481 PolarHBondContact O-N 3.01Å; P479-S488 WeakPolarHBondContact O-CB 3.37Å; P479-S488 PolarHBondContact O-OG 2.92Å
480	R	98.5	Very high	98.6	Very high	97 Å²	97	30.1 Å²	30.1	37%	0.366	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-39.8	179.4	178.7	-177.4	173.6	-164.9	-11	111.4	L477 D489	L477-R480 WeakPolarHBondContact O-CA 3.45Å; L477-R480 VanDerWaalsContact O-CB 3.32Å; L477-R480 WeakPolarHBondContact O-CB 3.42Å; L477-R480 PolarHBondContact O-N 3.11Å; R480-D489 VanDerWaalsContact CG-OD1 3.31Å; R480-D489 WeakPolarHBondContact CG-OD1 3.19Å; R480-D489 IonicContact CZ-OD1 3.48Å; R480-D489 IonicContact CZ-OD2 3.8Å; R480-D489 VanDerWaalsContact NE-CG 3.28Å; R480-D489 IonicContact NE-OD1 3.62Å; R480-D489 PolarHBondContact NE-OD1 3.33Å; R480-D489 IonicContact NE-OD2 2.71Å; R480-D489 PolarHBondContact NE-OD2 3.44Å; R480-D489 IonicContact NH2-OD1 3.59Å; R480-D489 IonicContact NH2-OD2 2.67Å; R480-D489 PolarHBondContact NH2-OD2 3.47Å; R480-D489 WeakPolarHBondContact O-CB 3.26Å; R480-D489 PolarHBondContact O-N 2.74Å
481	K	98.8	Very high	98.6	Very high	7 Å²	7	28.9 Å²	28.9	3%	0.03	16%	0.16	C	C	.	.	S	Bend	trans	-124.2	164.8	167.6	-60	-169.2	-171.5	-58.3	0	111.1	I153 M186 D217 A472 L477 P479 D489 D491	I153-K481 HydrophobicContact CD1-CB 3.94Å; M186-K481 HydrophobicContact CB-CD 4.17Å; M186-K481 HydrophobicContact CG-CD 4.36Å; M186-K481 HydrophobicContact SD-CD 3.42Å; M186-K481 WeakPolarHBondContact SD-CD 3.24Å; M186-K481 VanDerWaalsContact SD-CE 3.52Å; D217-K481 IonicContact OD2-NZ 2.74Å; D217-K481 PolarHBondContact OD2-NZ 3.43Å; A472-K481 WeakPolarHBondContact CB-O 3.32Å; L477-K481 PolarHBondContact O-N 3.32Å; P479-K481 PolarHBondContact O-N 3.01Å; K481-D489 HydrophobicContact CG-CB 4.44Å; K481-D489 IonicContact NZ-OD2 3.98Å; K481-D489 PolarHBondContact NZ-OD2 3.13Å; K481-D491 IonicContact NZ-OD2 2.77Å; K481-D491 PolarHBondContact NZ-OD2 3.35Å
482	G	98.4	Very high	98.6	Very high	5 Å²	5	28.9 Å²	28.9	5%	0.052	16%	0.16	C	C	.	.	S	Bend	trans	73.2	22.9	-179.9	0	0	0	0	0	114.9	S468 T469	S468-G482 VanDerWaalsContact OG-CA 3.26Å; S468-G482 WeakPolarHBondContact OG-CA 3.38Å; T469-G482 WeakPolarHBondContact CB-O 3.4Å; T469-G482 WeakPolarHBondContact CG2-O 3.36Å; T469-G482 PolarHBondContact OG1-O 3.48Å
483	R	98.7	Very high	98.6	Very high	40 Å²	40	28.9 Å²	28.9	15%	0.151	16%	0.16	C	C	.	.	S	Bend	trans	-154.9	139.8	171	-161	173.4	-179.3	77.1	4.5	111.4	N109 D110 D111 Y478 A485 S488	N109-R483 WeakPolarHBondContact OD1-CA 3.48Å; N109-R483 VanDerWaalsContact OD1-CG 3.25Å; N109-R483 WeakPolarHBondContact OD1-CG 3.5Å; D110-R483 IonicContact OD1-NH1 3.09Å; D110-R483 PolarHBondContact OD1-NH1 2.67Å; D111-R483 VanDerWaalsContact CG-NH1 3.32Å; D111-R483 IonicContact OD1-CZ 2.86Å; D111-R483 VanDerWaalsContact OD1-CZ 3.29Å; D111-R483 IonicContact OD1-NH1 2.71Å; D111-R483 PolarHBondContact OD1-NH1 3.36Å; D111-R483 IonicContact OD1-NH2 2.68Å; D111-R483 PolarHBondContact OD1-NH2 3.32Å; D111-R483 IonicContact OD2-CZ 3.89Å; D111-R483 IonicContact OD2-NH1 3.47Å; D111-R483 PolarHBondContact OD2-NH1 2.88Å; D111-R483 IonicContact OD2-NH2 3.74Å; D111-R483 PolarHBondContact OD2-NH2 3.24Å; Y478-R483 HydrophobicContact CE2-CB 4.04Å; Y478-R483 HydrophobicContact CE2-CG 4.48Å; Y478-R483 WeakPolarHBondContact OH-CD 3.25Å; R483-A485 HydrophobicContact CG-CB 4.02Å; R483-A485 PolarHBondContact O-N 3.04Å; R483-S488 WeakPolarHBondContact O-CB 3.42Å; R483-S488 PolarHBondContact O-OG 3.42Å
484	I	98.8	Very high	98.6	Very high	4 Å²	4	27 Å²	27	2%	0.021	15%	0.152	C	C	.	.			trans	-86.2	94.7	163.7	-55.1	-55.3	0	0	0	107.3	I107 N109 V118 I125 I128 P150 V492	I107-I484 HydrophobicContact CD1-CG2 4.08Å; I107-I484 HydrophobicContact CG1-CG2 4.33Å; I107-I484 HydrophobicContact CG2-CB 3.62Å; I107-I484 HydrophobicContact CG2-CG1 4.18Å; I107-I484 HydrophobicContact CG2-CG2 3.58Å; N109-I484 PolarHBondContact ND2-O 3.48Å; N109-I484 PolarHBondContact OD1-N 3.24Å; V118-I484 HydrophobicContact CG2-CG2 4.19Å; I125-I484 HydrophobicContact CD1-CB 4.46Å; I125-I484 HydrophobicContact CD1-CD1 4.1Å; I125-I484 HydrophobicContact CD1-CG2 4.1Å; I128-I484 HydrophobicContact CD1-CG2 3.96Å; P150-I484 HydrophobicContact CB-CD1 4.47Å; P150-I484 HydrophobicContact CG-CD1 4.32Å; P150-I484 HydrophobicContact CG-CG1 4.05Å; I484-V492 HydrophobicContact CD1-CB 4.28Å; I484-V492 HydrophobicContact CD1-CG1 3.91Å; I484-V492 HydrophobicContact CD1-CG2 3.74Å
485	A	98.5	Very high	98.6	Very high	25 Å²	25	26.9 Å²	26.9	21%	0.207	15%	0.152	C	C	.	.			trans	-147.3	154.3	179	0	0	0	0	0	110.7	I125 R483 G487 S488	I125-A485 WeakPolarHBondContact CB-O 3.27Å; I125-A485 WeakPolarHBondContact CG2-O 3.49Å; R483-A485 HydrophobicContact CG-CB 4.02Å; R483-A485 PolarHBondContact O-N 3.04Å; A485-G487 PolarHBondContact O-N 3.1Å; A485-S488 WeakPolarHBondContact O-CB 3.16Å; A485-S488 PolarHBondContact O-N 3.03Å; A485-S488 VanDerWaalsContact O-N 3.1Å; A485-S488 PolarHBondContact O-OG 3.48Å
486	V	98.6	Very high	98.5	Very high	94 Å²	94	27.6 Å²	27.6	57%	0.57	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	128	175.6	174.2	0	0	0	0	110.2	I125 K126 I128	I125-V486 WeakPolarHBondContact O-CA 3.4Å; K126-V486 VanDerWaalsContact O-CG1 3.32Å; K126-V486 WeakPolarHBondContact O-CG1 3.4Å; I128-V486 HydrophobicContact CG1-CG2 4.32Å
487	G	98.3	Very high	98.4	Very high	52 Å²	52	26.2 Å²	26.2	54%	0.536	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.7	-5.6	-176.5	0	0	0	0	0	115.3	I125 A485	I125-G487 PolarHBondContact O-N 3.1Å; A485-G487 PolarHBondContact O-N 3.1Å
488	S	98.8	Very high	98.1	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.014	18%	0.177	C	C	.	.	S	Bend	trans	-75	156.4	168.6	-60.9	0	0	0	0	111.3	L124 I125 P479 R483 A485	L124-S488 WeakPolarHBondContact CA-O 3.43Å; I125-S488 PolarHBondContact N-O 3.04Å; P479-S488 WeakPolarHBondContact O-CB 3.37Å; P479-S488 PolarHBondContact O-OG 2.92Å; R483-S488 WeakPolarHBondContact O-CB 3.42Å; R483-S488 PolarHBondContact O-OG 3.42Å; A485-S488 WeakPolarHBondContact O-CB 3.16Å; A485-S488 PolarHBondContact O-N 3.03Å; A485-S488 VanDerWaalsContact O-N 3.1Å; A485-S488 PolarHBondContact O-OG 3.48Å
489	D	98.8	Very high	97.9	Very high	11 Å²	11	31.3 Å²	31.3	6%	0.059	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-58.8	141	171.9	-72.4	0.5	0	0	0	109.5	R480 K481 D491 R550	R480-D489 VanDerWaalsContact CG-OD1 3.31Å; R480-D489 WeakPolarHBondContact CG-OD1 3.19Å; R480-D489 IonicContact CZ-OD1 3.48Å; R480-D489 IonicContact CZ-OD2 3.8Å; R480-D489 VanDerWaalsContact NE-CG 3.28Å; R480-D489 IonicContact NE-OD1 3.62Å; R480-D489 PolarHBondContact NE-OD1 3.33Å; R480-D489 IonicContact NE-OD2 2.71Å; R480-D489 PolarHBondContact NE-OD2 3.44Å; R480-D489 IonicContact NH2-OD1 3.59Å; R480-D489 IonicContact NH2-OD2 2.67Å; R480-D489 PolarHBondContact NH2-OD2 3.47Å; R480-D489 WeakPolarHBondContact O-CB 3.26Å; R480-D489 PolarHBondContact O-N 2.74Å; K481-D489 HydrophobicContact CG-CB 4.44Å; K481-D489 IonicContact NZ-OD2 3.98Å; K481-D489 PolarHBondContact NZ-OD2 3.13Å; D489-D491 PolarHBondContact O-N 3.1Å; D489-R550 IonicContact OD2-NH2 2.75Å
490	A	98.4	Very high	97.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.186	C	C	.	.			trans	-77.9	58.3	178.9	0	0	0	0	0	112.1	L120 G123 Q532 G533	L120-A490 HydrophobicContact CB-CB 4.25Å; L120-A490 HydrophobicContact CD1-CB 4.22Å; L120-A490 HydrophobicContact CD2-CB 3.92Å; L120-A490 HydrophobicContact CG-CB 4.36Å; G123-A490 VanDerWaalsContact C-CB 3.46Å; G123-A490 WeakPolarHBondContact O-CB 3.23Å; G123-A490 PolarHBondContact O-N 3.33Å; A490-Q532 PolarHBondContact O-N 2.82Å; A490-G533 PolarHBondContact O-N 3.17Å
491	D	98.7	Very high	97.6	Very high	8 Å²	8	31 Å²	31	4%	0.043	18%	0.177	C	C	.	.			trans	-105.6	92.2	176	-69.4	-16.5	0	0	0	108.9	G151 T185 K481 D489 I530 Q532	G151-D491 PolarHBondContact N-O 2.87Å; T185-D491 HydrophobicContact CG2-CB 4.34Å; K481-D491 IonicContact NZ-OD2 2.77Å; K481-D491 PolarHBondContact NZ-OD2 3.35Å; D489-D491 PolarHBondContact O-N 3.1Å; D491-I530 CarbonylContact C-O 3.52Å; D491-I530 WeakPolarHBondContact CA-O 3.3Å; D491-Q532 PolarHBondContact OD1-N 3.45Å
492	V	98.8	Very high	97.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	138.4	-163.2	-172.5	0	0	0	0	110.5	I102 L120 I125 V148 I484 I530	I102-V492 HydrophobicContact CD1-CB 4.33Å; I102-V492 HydrophobicContact CD1-CG1 3.69Å; L120-V492 HydrophobicContact CD2-CG2 4.48Å; I125-V492 HydrophobicContact CD1-CG2 4.38Å; V148-V492 HydrophobicContact CG1-CG1 3.49Å; V148-V492 VanDerWaalsContact CG1-CG1 3.49Å; I484-V492 HydrophobicContact CD1-CB 4.28Å; I484-V492 HydrophobicContact CD1-CG1 3.91Å; I484-V492 HydrophobicContact CD1-CG2 3.74Å; V492-I530 HydrophobicContact CB-CB 4.35Å; V492-I530 HydrophobicContact CB-CD1 4.49Å; V492-I530 PolarHBondContact N-O 3.39Å; V492-I530 WeakPolarHBondContact O-CB 3.33Å; V492-I530 PolarHBondContact O-N 2.84Å
493	V	98.9	Very high	97.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	129.2	174.3	177	0	0	0	0	109.4	I149 G183 W495 P526 V528 V529	I149-V493 HydrophobicContact CD1-CB 4.34Å; I149-V493 HydrophobicContact CD1-CG1 4.45Å; I149-V493 HydrophobicContact CG1-CB 3.78Å; I149-V493 HydrophobicContact CG1-CG1 4.3Å; I149-V493 PolarHBondContact N-O 2.95Å; I149-V493 PolarHBondContact O-N 2.71Å; G183-V493 WeakPolarHBondContact O-CG2 3.48Å; V493-W495 HydrophobicContact CG1-CB 4.33Å; V493-W495 HydrophobicContact CG1-CE3 4.1Å; V493-P526 HydrophobicContact CG1-CB 3.83Å; V493-V528 WeakPolarHBondContact CA-O 3.31Å; V493-V529 HydrophobicContact CG1-CG2 4.37Å; V493-V529 HydrophobicContact CG2-CG1 4.07Å; V493-V529 HydrophobicContact CG2-CG2 4.13Å
494	I	98.7	Very high	97.4	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.021	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	110.3	163.6	-54.8	-178.2	0	0	0	106.8	I102 I141 A143 R146 M147 L527 V528	I102-I494 HydrophobicContact CG2-CD1 3.89Å; I102-I494 HydrophobicContact CG2-CG1 4.39Å; I141-I494 HydrophobicContact CB-CD1 4.35Å; I141-I494 HydrophobicContact CG2-CD1 3.51Å; A143-I494 HydrophobicContact CB-CD1 4.37Å; A143-I494 HydrophobicContact CB-CG2 4.34Å; R146-I494 HydrophobicContact CB-CG2 4.15Å; M147-I494 CarbonylContact O-C 3.2Å; M147-I494 WeakPolarHBondContact O-CA 3.48Å; I494-L527 PolarHBondContact O-N 3.39Å; I494-V528 HydrophobicContact CB-CB 4.07Å; I494-V528 HydrophobicContact CB-CG2 4.44Å; I494-V528 HydrophobicContact CD1-CB 4.07Å; I494-V528 HydrophobicContact CD1-CG2 4.19Å; I494-V528 HydrophobicContact CG1-CB 4.16Å; I494-V528 PolarHBondContact N-O 3.21Å; I494-V528 PolarHBondContact O-N 2.72Å
495	W	98.4	Very high	97.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	132.3	-171.8	-174.8	-92.2	0	0	0	111.4	M147 I149 M445 W449 F463 V493 P497 G524 P526	M147-W495 HydrophobicContact CB-CB 4.13Å; M147-W495 PolarHBondContact N-O 3.15Å; M147-W495 PolarHBondContact O-N 3.01Å; I149-W495 HydrophobicContact CD1-CB 4.08Å; I149-W495 HydrophobicContact CD1-CD2 4.4Å; I149-W495 HydrophobicContact CD1-CE3 4.32Å; I149-W495 HydrophobicContact CD1-CG 4.33Å; I149-W495 HydrophobicContact CG1-CB 4.45Å; M445-W495 HydrophobicContact CB-CH2 3.77Å; M445-W495 HydrophobicContact CB-CZ3 3.8Å; W449-W495 HydrophobicContact CB-CZ2 3.68Å; W449-W495 HydrophobicContact CD2-CZ2 4.13Å; W449-W495 AromaticContact CD2-NE1 3.41Å; W449-W495 AromaticContact CE2-NE1 3.67Å; W449-W495 HydrophobicContact CE3-CZ2 4.45Å; W449-W495 AromaticContact CE3-NE1 3.58Å; W449-W495 AromaticContact CG-CZ2 3.77Å; W449-W495 HydrophobicContact CG-CZ2 3.77Å; W449-W495 AromaticContact CG-NE1 3.89Å; F463-W495 HydrophobicContact CZ-CZ2 4.36Å; V493-W495 HydrophobicContact CG1-CB 4.33Å; V493-W495 HydrophobicContact CG1-CE3 4.1Å; W495-P497 WeakPolarHBondContact O-CD 3.36Å; W495-G524 VanDerWaalsContact CZ2-CA 3.47Å; W495-P526 HydrophobicContact CE3-CB 4.35Å; W495-P526 HydrophobicContact CZ3-CB 4.49Å; W495-P526 HydrophobicContact CZ3-CG 4.46Å
496	D	96.8	Very high	97.1	Very high	14 Å²	14	42.6 Å²	42.6	8%	0.075	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	107.9	171	-171.4	-17.5	0	0	0	109.3	R146 D498 K499 G524 S525 L527	R146-D496 IonicContact CZ-OD1 3.28Å; R146-D496 VanDerWaalsContact CZ-OD1 3.28Å; R146-D496 IonicContact CZ-OD2 3.15Å; R146-D496 IonicContact NH1-OD1 3.92Å; R146-D496 PolarHBondContact NH1-OD1 3.27Å; R146-D496 IonicContact NH1-OD2 3.31Å; R146-D496 PolarHBondContact NH1-OD2 3.17Å; R146-D496 IonicContact NH2-OD1 2.94Å; R146-D496 PolarHBondContact NH2-OD1 2.78Å; R146-D496 IonicContact NH2-OD2 2.87Å; R146-D496 PolarHBondContact NH2-OD2 3.44Å; D496-D498 VanDerWaalsContact C-N 3.28Å; D496-D498 PolarHBondContact O-N 2.9Å; D496-D498 PolarHBondContact OD1-N 3.44Å; D496-K499 HydrophobicContact CB-CB 3.78Å; D496-K499 HydrophobicContact CB-CD 4.42Å; D496-K499 VanDerWaalsContact CG-CB 3.41Å; D496-K499 PolarHBondContact OD1-N 3.04Å; D496-G524 CarbonylContact O-C 3.56Å; D496-G524 VanDerWaalsContact O-CA 3.26Å; D496-G524 WeakPolarHBondContact O-CA 3.35Å; D496-S525 PolarHBondContact N-O 2.88Å; D496-S525 PolarHBondContact O-N 3.49Å; D496-L527 HydrophobicContact CB-CD1 3.94Å; D496-L527 HydrophobicContact CB-CD2 3.86Å; D496-L527 HydrophobicContact CB-CG 3.74Å
497	P	96	Very high	96.8	Very high	26 Å²	26	40.2 Å²	40.2	17%	0.169	22%	0.223	C	C	.	.	S	Bend	trans	-68.8	-26.8	-178.9	29.2	-35.2	0	0	0	113.1	M147 W449 W495 G524	M147-P497 HydrophobicContact SD-CB 3.98Å; M147-P497 HydrophobicContact SD-CG 4.14Å; W449-P497 HydrophobicContact CH2-CB 4.11Å; W449-P497 HydrophobicContact CZ2-CB 3.36Å; W449-P497 PolarHBondContact NE1-O 2.77Å; W495-P497 WeakPolarHBondContact O-CD 3.36Å; P497-G524 PolarHBondContact O-N 2.86Å
498	D	93.1	Very high	96.6	Very high	118 Å²	118	38.6 Å²	38.6	63%	0.631	20%	0.201	S	C	*	.	S	Bend	trans	-98	-10.1	-169.7	-53.1	-52.4	0	0	0	112.7	D496 L500	D496-D498 VanDerWaalsContact C-N 3.28Å; D496-D498 PolarHBondContact O-N 2.9Å; D496-D498 PolarHBondContact OD1-N 3.44Å; D498-L500 PolarHBondContact O-N 3.04Å
499	K	94.1	Very high	96.5	Very high	80 Å²	80	41.2 Å²	41.2	35%	0.348	21%	0.212	S	C	.	.			trans	-70.7	114.6	-177.9	180	165.8	173	-168.3	0	111.3	D496 G524 L527	D496-K499 HydrophobicContact CB-CB 3.78Å; D496-K499 HydrophobicContact CB-CD 4.42Å; D496-K499 VanDerWaalsContact CG-CB 3.41Å; D496-K499 PolarHBondContact OD1-N 3.04Å; K499-G524 PolarHBondContact O-N 2.82Å; K499-G524 VanDerWaalsContact O-N 3.14Å; K499-L527 HydrophobicContact CD-CD2 3.8Å
500	L	95.3	Very high	96.3	Very high	116 Å²	116	41.4 Å²	41.4	61%	0.607	22%	0.215	S	C	*	.			trans	-74.9	130	170.5	-67.8	170.1	0	0	0	111	D498 C522	D498-L500 PolarHBondContact O-N 3.04Å; L500-C522 WeakPolarHBondContact CA-O 3.47Å
501	K	93.8	Very high	96	Very high	45 Å²	45	44.3 Å²	44.3	20%	0.196	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	124.8	171.2	179.2	-175.7	176.6	-173	0	108.9	E442 C522	E442-K501 IonicContact OE1-NZ 3.81Å; E442-K501 PolarHBondContact OE1-NZ 3.24Å; K501-C522 PolarHBondContact N-O 3.36Å; K501-C522 PolarHBondContact O-N 2.83Å
502	T	97.1	Very high	95.8	Very high	65 Å²	65	44.4 Å²	44.4	40%	0.399	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	123.3	163.2	-41.8	0	0	0	0	109	T504 M520 E521	T502-T504 HydrophobicContact CG2-CG2 4.35Å; T502-M520 CarbonylContact C-O 3.59Å; T502-M520 WeakPolarHBondContact CA-O 3.27Å; T502-E521 HydrophobicContact CG2-CG 4.26Å
503	I	97.5	Very high	95.6	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.015	26%	0.263	C	S	.	.			trans	-75.6	125.8	176.6	-60.3	170.9	0	0	0	109.2	E443 V447 N515 F517 G519 M520	E443-I503 HydrophobicContact CB-CD1 4.24Å; E443-I503 HydrophobicContact CG-CD1 4.06Å; E443-I503 HydrophobicContact CG-CG2 3.89Å; V447-I503 HydrophobicContact CG2-CD1 4.05Å; I503-N515 VanDerWaalsContact CG2-ND2 3.35Å; I503-N515 WeakPolarHBondContact CG2-ND2 3.32Å; I503-F517 HydrophobicContact CB-CB 4.33Å; I503-F517 HydrophobicContact CD1-CB 3.94Å; I503-F517 HydrophobicContact CG2-CB 4.02Å; I503-G519 PolarHBondContact O-N 2.84Å; I503-M520 HydrophobicContact CD1-CB 4.44Å; I503-M520 HydrophobicContact CD1-SD 4.3Å; I503-M520 PolarHBondContact N-O 2.82Å
504	T	97.3	Very high	95.4	Very high	34 Å²	34	53 Å²	53	21%	0.209	28%	0.277	C	S	.	.			trans	-143.2	143.1	175.1	70.9	0	0	0	0	111.7	T502 K506 S507 H508 E518	T502-T504 HydrophobicContact CG2-CG2 4.35Å; T504-K506 PolarHBondContact O-N 3.24Å; T504-S507 PolarHBondContact O-N 3.1Å; T504-S507 PolarHBondContact O-OG 3.08Å; T504-S507 WeakPolarHBondContact OG1-CB 3.46Å; T504-S507 PolarHBondContact OG1-N 3.31Å; T504-S507 PolarHBondContact OG1-OG 3.33Å; T504-H508 PolarHBondContact O-N 3.28Å; T504-H508 VanDerWaalsContact O-N 3.11Å; T504-E518 VanDerWaalsContact CA-OE2 3.29Å; T504-E518 WeakPolarHBondContact CA-OE2 3.36Å; T504-E518 WeakPolarHBondContact CB-OE1 3.33Å
505	A	96.4	Very high	95.3	Very high	21 Å²	21	53 Å²	53	17%	0.174	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-24.4	172.6	0	0	0	0	0	112.8	S507 H508 N515 E518	A505-S507 PolarHBondContact O-N 3.3Å; A505-H508 PolarHBondContact O-CD2 2.79Å; A505-H508 PolarHBondContact O-NE2 3.45Å; A505-N515 HydrophobicContact CB-CB 4.1Å; A505-E518 PolarHBondContact N-OE2 3.43Å
506	K	95.3	Very high	95.3	Very high	201 Å²	201	53.3 Å²	53.3	87%	0.874	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-21.3	174.3	-64.7	179.4	-177.3	172.7	0	113.7	T504	T504-K506 PolarHBondContact O-N 3.24Å
507	S	91.8	Very high	95.4	Very high	45 Å²	45	53 Å²	53	32%	0.315	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-25.7	-170.8	67.8	0	0	0	0	114.1	T504 A505 K509	T504-S507 PolarHBondContact O-N 3.1Å; T504-S507 PolarHBondContact O-OG 3.08Å; T504-S507 WeakPolarHBondContact OG1-CB 3.46Å; T504-S507 PolarHBondContact OG1-N 3.31Å; T504-S507 PolarHBondContact OG1-OG 3.33Å; A505-S507 PolarHBondContact O-N 3.3Å; S507-K509 PolarHBondContact O-NZ 2.81Å
508	H	94.9	Very high	95.5	Very high	17 Å²	17	56.4 Å²	56.4	8%	0.079	29%	0.29	C	S	.	.	S	Bend	trans	-63.7	167.6	178.3	73.5	179.2	0	0	0	111.7	E442 E443 T504 A505 V512 N515	E442-H508 VanDerWaalsContact OE2-CA 3.25Å; E442-H508 WeakPolarHBondContact OE2-CA 3.38Å; E443-H508 IonicContact OE1-ND1 3.74Å; T504-H508 PolarHBondContact O-N 3.28Å; T504-H508 VanDerWaalsContact O-N 3.11Å; A505-H508 PolarHBondContact O-CD2 2.79Å; A505-H508 PolarHBondContact O-NE2 3.45Å; H508-V512 PolarHBondContact NE2-O 2.92Å; H508-V512 VanDerWaalsContact NE2-O 3.17Å; H508-N515 PolarHBondContact ND1-ND2 2.95Å; H508-N515 VanDerWaalsContact ND1-ND2 3.18Å
509	K	95.6	Very high	95.7	Very high	57 Å²	57	53 Å²	53	25%	0.248	28%	0.283	C	S	.	.	S	Bend	trans	-97.5	-8.3	177	-52.3	-50.3	167.4	-137.3	0	113.9	Q174 A178 V181 E442 S507	Q174-K509 PolarHBondContact NE2-O 2.91Å; A178-K509 HydrophobicContact CB-CB 3.9Å; V181-K509 HydrophobicContact CB-CG 4.21Å; V181-K509 HydrophobicContact CG1-CG 4.41Å; V181-K509 HydrophobicContact CG2-CG 3.75Å; E442-K509 PolarHBondContact OE2-N 3.2Å; S507-K509 PolarHBondContact O-NZ 2.81Å
510	S	94.5	Very high	95.8	Very high	16 Å²	16	50.6 Å²	50.6	11%	0.112	27%	0.273	C	S	.	.	S	Bend	trans	-59.2	154.1	173.3	-171.9	0	0	0	0	112	D170	D170-S510 VanDerWaalsContact OD2-CA 3.32Å; D170-S510 WeakPolarHBondContact OD2-CA 3.26Å; D170-S510 WeakPolarHBondContact OD2-CB 3.33Å; D170-S510 PolarHBondContact OD2-OG 3.05Å
511	A	93.8	Very high	96	Very high	60 Å²	60	51.9 Å²	51.9	50%	0.496	28%	0.276	S	S	.	.	S	Bend	trans	-85.7	-7.3	179.2	0	0	0	0	0	114.4	D170 Q174	D170-A511 VanDerWaalsContact OD1-CB 3.29Å; D170-A511 WeakPolarHBondContact OD1-CB 3.47Å; D170-A511 PolarHBondContact OD1-N 3.17Å; Q174-A511 HydrophobicContact CG-CB 4.43Å
512	V	94.6	Very high	96.1	Very high	10 Å²	10	49.7 Å²	49.7	6%	0.061	27%	0.267	C	S	.	.	S	Bend	trans	-88.4	151.1	-177	-62.9	0	0	0	0	113.5	A169 P418 H508 Y514	A169-V512 HydrophobicContact CB-CG1 3.51Å; P418-V512 HydrophobicContact CB-CG1 3.77Å; P418-V512 HydrophobicContact CB-CG2 3.97Å; H508-V512 PolarHBondContact NE2-O 2.92Å; H508-V512 VanDerWaalsContact NE2-O 3.17Å; V512-Y514 VanDerWaalsContact C-N 3.32Å; V512-Y514 WeakPolarHBondContact CG2-O 3.39Å; V512-Y514 PolarHBondContact O-N 3.43Å
513	E	93.8	Very high	96.1	Very high	107 Å²	107	50.3 Å²	50.3	50%	0.5	27%	0.265	S	S	.	.	S	Bend	trans	-80.9	-11.5	-172.1	-42	88.6	164.4	0	0	114	T421	T421-E513 WeakPolarHBondContact CB-OE2 3.46Å; T421-E513 PolarHBondContact N-OE2 3.17Å; T421-E513 PolarHBondContact OG1-OE2 3.01Å
514	Y	93.9	Very high	96	Very high	75 Å²	75	50.2 Å²	50.2	29%	0.294	26%	0.264	S	S	.	.			trans	-119.5	139.4	179.5	-85.1	-87.7	0	0	0	111.4	N377 A379 K380 A383 V512	N377-Y514 PolarHBondContact ND2-OH 3.2Å; A379-Y514 HydrophobicContact CB-CE2 4.08Å; K380-Y514 HydrophobicContact CB-CE1 4.16Å; A383-Y514 HydrophobicContact CB-CG 4.17Å; V512-Y514 VanDerWaalsContact C-N 3.32Å; V512-Y514 WeakPolarHBondContact CG2-O 3.39Å; V512-Y514 PolarHBondContact O-N 3.43Å
515	N	97.8	Very high	96	Very high	3 Å²	3	49 Å²	49	2%	0.016	26%	0.257	C	S	.	.			trans	-110.6	129.1	167	-162.1	-43.1	0	0	0	108.6	N439 E443 I503 A505 H508 F517 E518	N439-N515 VanDerWaalsContact ND2-CG 3.27Å; N439-N515 PolarHBondContact ND2-OD1 3.18Å; N439-N515 WeakPolarHBondContact OD1-CA 3.35Å; E443-N515 PolarHBondContact OE1-ND2 3.11Å; I503-N515 VanDerWaalsContact CG2-ND2 3.35Å; I503-N515 WeakPolarHBondContact CG2-ND2 3.32Å; A505-N515 HydrophobicContact CB-CB 4.1Å; H508-N515 PolarHBondContact ND1-ND2 2.95Å; H508-N515 VanDerWaalsContact ND1-ND2 3.18Å; N515-F517 PolarHBondContact O-N 3.4Å; N515-F517 WeakPolarHBondContact OD1-CD2 3.47Å; N515-F517 PolarHBondContact OD1-N 3.2Å; N515-E518 HydrophobicContact CB-CB 4.46Å; N515-E518 WeakPolarHBondContact O-CB 3.39Å; N515-E518 PolarHBondContact O-N 2.91Å; N515-E518 VanDerWaalsContact O-N 3.1Å
516	I	98.3	Very high	96	Very high	7 Å²	7	48.1 Å²	48.1	4%	0.036	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-16.5	177.7	61.8	161.9	0	0	0	112.9	A364 T368 F384 V438 N439	A364-I516 HydrophobicContact CB-CD1 3.5Å; A364-I516 VanDerWaalsContact CB-CD1 3.5Å; T368-I516 HydrophobicContact CG2-CD1 4.06Å; F384-I516 HydrophobicContact CD1-CB 3.95Å; F384-I516 HydrophobicContact CD1-CG2 3.9Å; F384-I516 HydrophobicContact CD2-CG2 4.43Å; F384-I516 HydrophobicContact CE1-CB 3.52Å; F384-I516 HydrophobicContact CE1-CG2 3.91Å; F384-I516 WeakPolarHBondContact CE1-O 3.26Å; F384-I516 HydrophobicContact CE2-CG2 4.44Å; F384-I516 HydrophobicContact CG-CG2 4.17Å; F384-I516 HydrophobicContact CZ-CB 3.91Å; F384-I516 HydrophobicContact CZ-CG2 4.18Å; F384-I516 VanDerWaalsContact CZ-O 3.3Å; F384-I516 WeakPolarHBondContact CZ-O 3.16Å; V438-I516 HydrophobicContact CB-CD1 3.99Å; V438-I516 HydrophobicContact CB-CG2 4.15Å; V438-I516 HydrophobicContact CG1-CD1 4.33Å; V438-I516 HydrophobicContact CG1-CG2 3.89Å; V438-I516 HydrophobicContact CG2-CD1 4.18Å; N439-I516 PolarHBondContact OD1-N 3.44Å
517	F	98.4	Very high	96.1	Very high	6 Å²	6	40.7 Å²	40.7	3%	0.026	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	22	174.8	-45	-74.1	0	0	0	112.6	A363 T368 E443 V447 I503 N515 G519 M520	A363-F517 HydrophobicContact CB-CZ 4.08Å; A363-F517 WeakPolarHBondContact O-CE1 3.43Å; A363-F517 WeakPolarHBondContact O-CZ 3.47Å; T368-F517 HydrophobicContact CG2-CD1 4.33Å; T368-F517 HydrophobicContact CG2-CE1 3.97Å; E443-F517 HydrophobicContact CB-CD2 3.81Å; E443-F517 HydrophobicContact CB-CE2 3.92Å; E443-F517 HydrophobicContact CG-CD2 3.8Å; E443-F517 HydrophobicContact CG-CE2 4.3Å; V447-F517 HydrophobicContact CG2-CD1 4.23Å; V447-F517 HydrophobicContact CG2-CE1 4.29Å; V447-F517 HydrophobicContact CG2-CG 4.35Å; V447-F517 HydrophobicContact CG2-CZ 4.46Å; I503-F517 HydrophobicContact CB-CB 4.33Å; I503-F517 HydrophobicContact CD1-CB 3.94Å; I503-F517 HydrophobicContact CG2-CB 4.02Å; N515-F517 PolarHBondContact O-N 3.4Å; N515-F517 WeakPolarHBondContact OD1-CD2 3.47Å; N515-F517 PolarHBondContact OD1-N 3.2Å; F517-G519 PolarHBondContact O-N 3.39Å; F517-M520 HydrophobicContact CB-CB 4.16Å; F517-M520 HydrophobicContact CB-SD 3.86Å; F517-M520 HydrophobicContact CD1-SD 3.87Å; F517-M520 HydrophobicContact CG-SD 4.21Å; F517-M520 WeakPolarHBondContact O-CB 3.38Å; F517-M520 PolarHBondContact O-N 3.23Å
518	E	97.7	Very high	96.4	Very high	98 Å²	98	39.2 Å²	39.2	46%	0.458	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	122.5	-177.5	-175.9	66.6	-151.6	0	0	112.6	T504 A505 N515 M520	T504-E518 VanDerWaalsContact CA-OE2 3.29Å; T504-E518 WeakPolarHBondContact CA-OE2 3.36Å; T504-E518 WeakPolarHBondContact CB-OE1 3.33Å; A505-E518 PolarHBondContact N-OE2 3.43Å; N515-E518 HydrophobicContact CB-CB 4.46Å; N515-E518 WeakPolarHBondContact O-CB 3.39Å; N515-E518 PolarHBondContact O-N 2.91Å; N515-E518 VanDerWaalsContact O-N 3.1Å; E518-M520 VanDerWaalsContact C-N 3.32Å
519	G	97.4	Very high	96.5	Very high	46 Å²	46	38.4 Å²	38.4	47%	0.474	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.6	1	-179.8	0	0	0	0	0	114.7	I503 F517 E521	I503-G519 PolarHBondContact O-N 2.84Å; F517-G519 PolarHBondContact O-N 3.39Å; G519-E521 PolarHBondContact O-N 3.29Å
520	M	97.5	Very high	96.7	Very high	30 Å²	30	35.7 Å²	35.7	15%	0.148	19%	0.193	C	C	.	.			trans	-69.8	119.5	177	-168.6	-179.4	-163.4	0	0	110.5	G367 V447 K451 T502 I503 F517 E518	G367-M520 WeakPolarHBondContact O-CE 3.19Å; V447-M520 HydrophobicContact CG2-SD 4.25Å; K451-M520 HydrophobicContact CD-CE 4.41Å; K451-M520 HydrophobicContact CG-CE 4.4Å; T502-M520 CarbonylContact C-O 3.59Å; T502-M520 WeakPolarHBondContact CA-O 3.27Å; I503-M520 HydrophobicContact CD1-CB 4.44Å; I503-M520 HydrophobicContact CD1-SD 4.3Å; I503-M520 PolarHBondContact N-O 2.82Å; F517-M520 HydrophobicContact CB-CB 4.16Å; F517-M520 HydrophobicContact CB-SD 3.86Å; F517-M520 HydrophobicContact CD1-SD 3.87Å; F517-M520 HydrophobicContact CG-SD 4.21Å; F517-M520 WeakPolarHBondContact O-CB 3.38Å; F517-M520 PolarHBondContact O-N 3.23Å; E518-M520 VanDerWaalsContact C-N 3.32Å
521	E	97.8	Very high	96.9	Very high	143 Å²	143	35.1 Å²	35.1	67%	0.668	19%	0.189	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-84.6	122.3	169.9	-61.8	-172.5	117	0	0	109	T502 G519	T502-E521 HydrophobicContact CG2-CG 4.26Å; G519-E521 PolarHBondContact O-N 3.29Å
522	C	97	Very high	97	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	143.2	179.7	-66.8	0	0	0	0	111.5	T446 D450 L500 K501	T446-C522 HydrophobicContact CG2-CB 3.26Å; D450-C522 HydrophobicContact CB-CB 3.84Å; D450-C522 WeakPolarHBondContact OD1-CA 3.38Å; L500-C522 WeakPolarHBondContact CA-O 3.47Å; K501-C522 PolarHBondContact N-O 3.36Å; K501-C522 PolarHBondContact O-N 2.83Å
523	H	96.8	Very high	97.1	Very high	78 Å²	78	33.5 Å²	33.5	36%	0.361	17%	0.17	S	C	.	.	S	Bend	trans	-79.4	159.3	162.7	-54.3	77.4	0	0	0	110.2	W449 D450 A454	W449-H523 VanDerWaalsContact CD1-O 3.29Å; D450-H523 IonicContact OD1-CE1 2.96Å; D450-H523 IonicContact OD1-CG 2.66Å; D450-H523 PolarHBondContact OD1-N 3.38Å; D450-H523 IonicContact OD1-ND1 3.25Å; D450-H523 PolarHBondContact OD1-ND1 3.18Å; A454-H523 HydrophobicContact CB-CB 3.93Å
524	G	95.9	Very high	97.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.163	C	C	.	.			trans	81.4	121	175.7	0	0	0	0	0	114	T446 W449 W495 D496 P497 K499	T446-G524 WeakPolarHBondContact CG2-O 3.33Å; T446-G524 PolarHBondContact OG1-O 3.17Å; T446-G524 VanDerWaalsContact OG1-O 3.05Å; W449-G524 VanDerWaalsContact CD1-CA 3.42Å; W495-G524 VanDerWaalsContact CZ2-CA 3.47Å; D496-G524 CarbonylContact O-C 3.56Å; D496-G524 VanDerWaalsContact O-CA 3.26Å; D496-G524 WeakPolarHBondContact O-CA 3.35Å; P497-G524 PolarHBondContact O-N 2.86Å; K499-G524 PolarHBondContact O-N 2.82Å; K499-G524 VanDerWaalsContact O-N 3.14Å
525	S	95.9	Very high	97.5	Very high	8 Å²	8	30 Å²	30	6%	0.056	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	145.1	177.8	174.1	0	0	0	0	111.6	D496	D496-S525 PolarHBondContact N-O 2.88Å; D496-S525 PolarHBondContact O-N 3.49Å
526	P	97.3	Very high	97.5	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.019	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	138.3	167.8	28.7	-33.1	0	0	0	110	V181 V493 W495 V529 F537	V181-P526 WeakPolarHBondContact O-CG 3.29Å; V493-P526 HydrophobicContact CG1-CB 3.83Å; W495-P526 HydrophobicContact CE3-CB 4.35Å; W495-P526 HydrophobicContact CZ3-CB 4.49Å; W495-P526 HydrophobicContact CZ3-CG 4.46Å; P526-V529 HydrophobicContact CB-CG2 3.74Å; P526-F537 HydrophobicContact CG-CE1 4.44Å
527	L	96.5	Very high	97.5	Very high	46 Å²	46	30.2 Å²	30.2	24%	0.241	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-47.4	167.2	-63.4	-175.6	0	0	0	111.1	I494 D496 K499	I494-L527 PolarHBondContact O-N 3.39Å; D496-L527 HydrophobicContact CB-CD1 3.94Å; D496-L527 HydrophobicContact CB-CD2 3.86Å; D496-L527 HydrophobicContact CB-CG 3.74Å; K499-L527 HydrophobicContact CD-CD2 3.8Å
528	V	98.4	Very high	97.3	Very high	13 Å²	13	32.3 Å²	32.3	8%	0.079	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	132.9	179.2	-171	0	0	0	0	108	I141 V493 I494 I530 I535 F537 E538	I141-V528 HydrophobicContact CG2-CG2 4.27Å; V493-V528 WeakPolarHBondContact CA-O 3.31Å; I494-V528 HydrophobicContact CB-CB 4.07Å; I494-V528 HydrophobicContact CB-CG2 4.44Å; I494-V528 HydrophobicContact CD1-CB 4.07Å; I494-V528 HydrophobicContact CD1-CG2 4.19Å; I494-V528 HydrophobicContact CG1-CB 4.16Å; I494-V528 PolarHBondContact N-O 3.21Å; I494-V528 PolarHBondContact O-N 2.72Å; V528-I530 HydrophobicContact CG1-CG1 4.16Å; V528-I535 HydrophobicContact CG1-CG2 3.92Å; V528-F537 CarbonylContact C-O 3.5Å; V528-F537 VanDerWaalsContact CA-O 3.26Å; V528-F537 WeakPolarHBondContact CA-O 3.34Å; V528-E538 HydrophobicContact CG2-CG 4.34Å
529	V	98.8	Very high	96.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	127.3	171.3	-175.3	0	0	0	0	108.5	L180 T185 V493 P526 V536 F537	L180-V529 HydrophobicContact CD2-CG1 4.09Å; L180-V529 WeakPolarHBondContact O-CG2 2.81Å; T185-V529 HydrophobicContact CG2-CG1 3.7Å; V493-V529 HydrophobicContact CG1-CG2 4.37Å; V493-V529 HydrophobicContact CG2-CG1 4.07Å; V493-V529 HydrophobicContact CG2-CG2 4.13Å; P526-V529 HydrophobicContact CB-CG2 3.74Å; V529-V536 HydrophobicContact CB-CG2 4.31Å; V529-V536 HydrophobicContact CG1-CG2 4.13Å; V529-V536 VanDerWaalsContact O-CG2 3.26Å; V529-V536 WeakPolarHBondContact O-CG2 3.47Å; V529-V536 PolarHBondContact O-N 2.87Å; V529-F537 HydrophobicContact CB-CB 3.97Å; V529-F537 HydrophobicContact CG2-CB 4.19Å; V529-F537 HydrophobicContact CG2-CD1 4.11Å; V529-F537 PolarHBondContact N-O 3.37Å; V529-F537 PolarHBondContact O-N 3.48Å
530	I	98.6	Very high	96.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.6	179.7	-53.2	173.7	0	0	0	106.5	L100 I102 L120 I141 D491 V492 V528 K534 I535	L100-I530 HydrophobicContact CD1-CD1 4.04Å; L100-I530 HydrophobicContact CD1-CG1 4.42Å; L100-I530 HydrophobicContact CD1-CG2 3.91Å; I102-I530 HydrophobicContact CD1-CD1 3.78Å; I102-I530 HydrophobicContact CG1-CD1 4.15Å; L120-I530 HydrophobicContact CD1-CD1 3.87Å; L120-I530 HydrophobicContact CD1-CG2 3.98Å; I141-I530 HydrophobicContact CD1-CD1 3.76Å; D491-I530 CarbonylContact C-O 3.52Å; D491-I530 WeakPolarHBondContact CA-O 3.3Å; V492-I530 HydrophobicContact CB-CB 4.35Å; V492-I530 HydrophobicContact CB-CD1 4.49Å; V492-I530 PolarHBondContact N-O 3.39Å; V492-I530 WeakPolarHBondContact O-CB 3.33Å; V492-I530 PolarHBondContact O-N 2.84Å; V528-I530 HydrophobicContact CG1-CG1 4.16Å; I530-K534 CarbonylContact C-O 3.56Å; I530-K534 VanDerWaalsContact CA-O 3.26Å; I530-K534 WeakPolarHBondContact CA-O 3.32Å; I530-I535 HydrophobicContact CG1-CG1 4.29Å
531	S	98.3	Very high	96.3	Very high	4 Å²	4	38.1 Å²	38.1	3%	0.028	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	126.5	178.6	179.2	0	0	0	0	107.7	G533 K534	S531-G533 PolarHBondContact O-N 3.28Å; S531-K534 PolarHBondContact N-O 2.83Å; S531-K534 PolarHBondContact O-N 3.14Å
532	Q	97.1	Very high	96.2	Very high	36 Å²	36	32.7 Å²	32.7	17%	0.168	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	35	-174.7	-47.6	173.8	21.4	0	0	113.3	G123 D217 A490 D491 K534 M548 R550	G123-Q532 WeakPolarHBondContact CA-O 3.36Å; D217-Q532 PolarHBondContact OD1-NE2 2.98Å; A490-Q532 PolarHBondContact O-N 2.82Å; D491-Q532 PolarHBondContact OD1-N 3.45Å; Q532-K534 VanDerWaalsContact C-N 3.27Å; Q532-K534 PolarHBondContact O-N 2.93Å; Q532-M548 PolarHBondContact NE2-O 3.03Å; Q532-R550 VanDerWaalsContact CD-NE 3.33Å
533	G	96.9	Very high	96.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	1.9	-178.2	0	0	0	0	0	115.5	L100 A490 S531	L100-G533 WeakPolarHBondContact CD1-O 3.43Å; A490-G533 PolarHBondContact O-N 3.17Å; S531-G533 PolarHBondContact O-N 3.28Å
534	K	96.9	Very high	96	Very high	80 Å²	80	35 Å²	35	35%	0.348	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	134.6	176.5	-70.4	173.1	172.4	176.2	0	110.7	D98 I530 S531 Q532 V536 M548	D98-K534 HydrophobicContact CB-CG 4.18Å; D98-K534 WeakPolarHBondContact OD2-CE 3.28Å; D98-K534 IonicContact OD2-NZ 2.98Å; I530-K534 CarbonylContact C-O 3.56Å; I530-K534 VanDerWaalsContact CA-O 3.26Å; I530-K534 WeakPolarHBondContact CA-O 3.32Å; S531-K534 PolarHBondContact N-O 2.83Å; S531-K534 PolarHBondContact O-N 3.14Å; Q532-K534 VanDerWaalsContact C-N 3.27Å; Q532-K534 PolarHBondContact O-N 2.93Å; K534-V536 PolarHBondContact O-N 3.33Å; K534-V536 VanDerWaalsContact O-N 3.16Å; K534-M548 HydrophobicContact CD-CE 4.38Å
535	I	97.6	Very high	96	Very high	28 Å²	28	40.5 Å²	40.5	14%	0.144	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	108.3	172.2	-58.9	169.7	0	0	0	108.2	L100 K139 I141 V528 I530 E538	L100-I535 HydrophobicContact CD1-CD1 4.3Å; L100-I535 HydrophobicContact CD1-CG1 3.72Å; L100-I535 HydrophobicContact CD2-CD1 4.03Å; L100-I535 HydrophobicContact CD2-CG1 4.28Å; K139-I535 HydrophobicContact CD-CD1 3.7Å; I141-I535 HydrophobicContact CD1-CD1 3.59Å; I141-I535 HydrophobicContact CD1-CG1 3.94Å; I141-I535 HydrophobicContact CG1-CD1 4.07Å; V528-I535 HydrophobicContact CG1-CG2 3.92Å; I530-I535 HydrophobicContact CG1-CG1 4.29Å; I535-E538 HydrophobicContact CG2-CB 3.75Å; I535-E538 HydrophobicContact CG2-CG 4.46Å
536	V	98	Very high	96	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-20.7	-177.9	-70.5	0	0	0	0	112.6	L180 V529 K534 I542 N543 V544 M548	L180-V536 HydrophobicContact CD1-CB 4.28Å; L180-V536 HydrophobicContact CD1-CG2 4.05Å; L180-V536 HydrophobicContact CD2-CG2 3.83Å; L180-V536 HydrophobicContact CG-CG2 4.37Å; V529-V536 HydrophobicContact CB-CG2 4.31Å; V529-V536 HydrophobicContact CG1-CG2 4.13Å; V529-V536 VanDerWaalsContact O-CG2 3.26Å; V529-V536 WeakPolarHBondContact O-CG2 3.47Å; V529-V536 PolarHBondContact O-N 2.87Å; K534-V536 PolarHBondContact O-N 3.33Å; K534-V536 VanDerWaalsContact O-N 3.16Å; V536-I542 CarbonylContact O-C 3.46Å; V536-I542 WeakPolarHBondContact O-CA 3.42Å; V536-I542 WeakPolarHBondContact O-CG1 3.28Å; V536-N543 PolarHBondContact O-N 3.1Å; V536-V544 HydrophobicContact CB-CG1 3.76Å; V536-V544 HydrophobicContact CG1-CG1 3.94Å; V536-M548 HydrophobicContact CG1-CE 4.1Å
537	F	98	Very high	95.9	Very high	16 Å²	16	47.8 Å²	47.8	7%	0.07	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	130.6	171.6	179	-102.7	0	0	0	110.1	V181 P526 V528 V529 N541 I542	V181-F537 HydrophobicContact CB-CE2 4.46Å; V181-F537 HydrophobicContact CG1-CE2 4.02Å; V181-F537 HydrophobicContact CG1-CZ 4.31Å; V181-F537 HydrophobicContact CG2-CD2 3.99Å; V181-F537 HydrophobicContact CG2-CE2 4.1Å; P526-F537 HydrophobicContact CG-CE1 4.44Å; V528-F537 CarbonylContact C-O 3.5Å; V528-F537 VanDerWaalsContact CA-O 3.26Å; V528-F537 WeakPolarHBondContact CA-O 3.34Å; V529-F537 HydrophobicContact CB-CB 3.97Å; V529-F537 HydrophobicContact CG2-CB 4.19Å; V529-F537 HydrophobicContact CG2-CD1 4.11Å; V529-F537 PolarHBondContact N-O 3.37Å; V529-F537 PolarHBondContact O-N 3.48Å; F537-N541 WeakPolarHBondContact CA-O 3.32Å; F537-N541 VanDerWaalsContact CD2-O 3.32Å; F537-N541 WeakPolarHBondContact CD2-O 3.39Å; F537-I542 HydrophobicContact CD2-CB 4.27Å
538	E	95.9	Very high	95.9	Very high	49 Å²	49	47.9 Å²	47.9	23%	0.229	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	135.8	178.1	-172.5	169.1	-119	0	0	108.2	K139 V528 I535 G540 N541	K139-E538 VanDerWaalsContact NZ-CD 3.29Å; K139-E538 IonicContact NZ-OE1 2.65Å; K139-E538 PolarHBondContact NZ-OE1 3.29Å; K139-E538 IonicContact NZ-OE2 3.22Å; K139-E538 PolarHBondContact NZ-OE2 2.92Å; V528-E538 HydrophobicContact CG2-CG 4.34Å; I535-E538 HydrophobicContact CG2-CB 3.75Å; I535-E538 HydrophobicContact CG2-CG 4.46Å; E538-G540 PolarHBondContact O-N 3.07Å; E538-G540 VanDerWaalsContact O-N 3.1Å; E538-N541 PolarHBondContact N-O 3.43Å; E538-N541 VanDerWaalsContact N-O 3.08Å; E538-N541 WeakPolarHBondContact O-CB 3.45Å; E538-N541 PolarHBondContact O-N 2.85Å
539	D	87.3	Confident	95.9	Very high	144 Å²	144	47.4 Å²	47.4	77%	0.77	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	35.5	178.6	-64.3	-34.2	0	0	0	115.7	N541	D539-N541 PolarHBondContact O-N 3.39Å; D539-N541 PolarHBondContact O-ND2 3.17Å
540	G	88.7	Confident	95.8	Very high	48 Å²	48	51.7 Å²	51.7	50%	0.495	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	-5.3	-179.3	0	0	0	0	0	114.8	E538	E538-G540 PolarHBondContact O-N 3.07Å; E538-G540 VanDerWaalsContact O-N 3.1Å
541	N	93.8	Very high	95.8	Very high	104 Å²	104	53.5 Å²	53.5	56%	0.556	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.9	139.9	176.7	-58.8	-69.3	0	0	0	110.1	F537 E538 D539	F537-N541 WeakPolarHBondContact CA-O 3.32Å; F537-N541 VanDerWaalsContact CD2-O 3.32Å; F537-N541 WeakPolarHBondContact CD2-O 3.39Å; E538-N541 PolarHBondContact N-O 3.43Å; E538-N541 VanDerWaalsContact N-O 3.08Å; E538-N541 WeakPolarHBondContact O-CB 3.45Å; E538-N541 PolarHBondContact O-N 2.85Å; D539-N541 PolarHBondContact O-N 3.39Å; D539-N541 PolarHBondContact O-ND2 3.17Å
542	I	95.7	Very high	95.9	Very high	30 Å²	30	53.5 Å²	53.5	15%	0.154	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	123.9	177.7	179.5	152.1	0	0	0	110.8	R177 L180 V181 V536 F537 V544	R177-I542 HydrophobicContact CB-CD1 4.49Å; R177-I542 HydrophobicContact CG-CD1 3.59Å; R177-I542 HydrophobicContact CG-CG1 4.32Å; R177-I542 VanDerWaalsContact O-CD1 3.24Å; R177-I542 WeakPolarHBondContact O-CD1 3.34Å; L180-I542 HydrophobicContact CB-CD1 4.15Å; V181-I542 HydrophobicContact CG2-CB 4.23Å; V181-I542 HydrophobicContact CG2-CD1 3.52Å; V181-I542 HydrophobicContact CG2-CG1 4.47Å; V181-I542 HydrophobicContact CG2-CG2 4.48Å; V536-I542 CarbonylContact O-C 3.46Å; V536-I542 WeakPolarHBondContact O-CA 3.42Å; V536-I542 WeakPolarHBondContact O-CG1 3.28Å; F537-I542 HydrophobicContact CD2-CB 4.27Å; I542-V544 HydrophobicContact CD1-CG1 4.21Å; I542-V544 HydrophobicContact CD1-CG2 4.2Å; I542-V544 HydrophobicContact CG1-CB 4.48Å; I542-V544 HydrophobicContact CG1-CG1 3.9Å; I542-V544 HydrophobicContact CG1-CG2 3.9Å
543	N	94.9	Very high	95.9	Very high	105 Å²	105	55.4 Å²	55.4	56%	0.561	30%	0.3	S	S	*	.			trans	-117.2	83.9	-174.5	-64	-36.3	0	0	0	109.2	V536	V536-N543 PolarHBondContact O-N 3.1Å
544	V	96	Very high	96	Very high	21 Å²	21	55.4 Å²	55.4	13%	0.127	30%	0.3	C	S	.	.			trans	-138.3	148.8	-177.9	-60.3	0	0	0	0	111.8	F173 R177 L180 C215 V536 I542 M548	F173-V544 HydrophobicContact CE2-CG2 4.49Å; R177-V544 HydrophobicContact CB-CG2 4.39Å; R177-V544 HydrophobicContact CG-CG2 4Å; L180-V544 HydrophobicContact CD1-CG1 3.73Å; C215-V544 HydrophobicContact CB-CB 3.91Å; C215-V544 HydrophobicContact CB-CG1 4.18Å; C215-V544 HydrophobicContact CB-CG2 4.06Å; C215-V544 VanDerWaalsContact SG-CG2 3.51Å; V536-V544 HydrophobicContact CB-CG1 3.76Å; V536-V544 HydrophobicContact CG1-CG1 3.94Å; I542-V544 HydrophobicContact CD1-CG1 4.21Å; I542-V544 HydrophobicContact CD1-CG2 4.2Å; I542-V544 HydrophobicContact CG1-CB 4.48Å; I542-V544 HydrophobicContact CG1-CG1 3.9Å; I542-V544 HydrophobicContact CG1-CG2 3.9Å; V544-M548 HydrophobicContact CB-SD 4.47Å
545	N	94.5	Very high	96	Very high	116 Å²	116	59.6 Å²	59.6	62%	0.62	32%	0.318	S	S	*	.			trans	-114.7	162.6	172.4	-62.8	-56.9	0	0	0	110	C215 M548	C215-N545 PolarHBondContact SG-O 3Å; N545-M548 HydrophobicContact CB-CG 4.01Å; N545-M548 HydrophobicContact CB-SD 3.84Å; N545-M548 PolarHBondContact N-SD 3.27Å
546	K	96.8	Very high	96	Very high	126 Å²	126	59.4 Å²	59.4	55%	0.548	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	138.6	170.4	-71.8	179.3	179.7	-173.8	0	110.2	F173 M548	F173-K546 HydrophobicContact CB-CG 4.16Å; F173-K546 HydrophobicContact CD1-CG 4.48Å; F173-K546 HydrophobicContact CD2-CB 4.32Å; F173-K546 HydrophobicContact CD2-CD 4.3Å; F173-K546 HydrophobicContact CD2-CG 3.29Å; F173-K546 HydrophobicContact CE2-CG 3.68Å; F173-K546 HydrophobicContact CG-CD 4.31Å; F173-K546 HydrophobicContact CG-CG 3.73Å; F173-K546 HydrophobicContact CZ-CG 4.42Å; K546-M548 VanDerWaalsContact C-N 3.33Å; K546-M548 PolarHBondContact O-N 3.46Å
547	G	96	Very high	96	Very high	37 Å²	37	63.8 Å²	63.8	38%	0.381	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.8	24.1	178	0	0	0	0	0	114.6	D211 S214	D211-G547 WeakPolarHBondContact O-CA 3.4Å; S214-G547 CarbonylContact O-C 3.47Å; S214-G547 WeakPolarHBondContact O-CA 3.27Å; S214-G547 PolarHBondContact O-N 2.74Å; S214-G547 VanDerWaalsContact O-N 3.08Å
548	M	96.3	Very high	96	Very high	48 Å²	48	63 Å²	63	24%	0.236	34%	0.337	C	S	.	.			trans	-77.7	-28	167.3	-77.6	-179.1	54.7	0	0	112	S214 Q532 K534 V536 V544 N545 K546	S214-M548 PolarHBondContact O-N 2.88Å; Q532-M548 PolarHBondContact NE2-O 3.03Å; K534-M548 HydrophobicContact CD-CE 4.38Å; V536-M548 HydrophobicContact CG1-CE 4.1Å; V544-M548 HydrophobicContact CB-SD 4.47Å; N545-M548 HydrophobicContact CB-CG 4.01Å; N545-M548 HydrophobicContact CB-SD 3.84Å; N545-M548 PolarHBondContact N-SD 3.27Å; K546-M548 VanDerWaalsContact C-N 3.33Å; K546-M548 PolarHBondContact O-N 3.46Å
549	G	97.2	Very high	96	Very high	4 Å²	4	64.9 Å²	64.9	4%	0.041	35%	0.345	C	S	.	.	S	Bend	trans	-71.5	142.1	177.7	0	0	0	0	0	113	S214 C216	S214-G549 PolarHBondContact O-N 3.07Å; C216-G549 VanDerWaalsContact C-CA 3.41Å; C216-G549 WeakPolarHBondContact O-CA 3.44Å
550	R	98.1	Very high	96.4	Very high	90 Å²	90	62.2 Å²	62.2	34%	0.34	33%	0.328	S	S	.	.			trans	-109.1	143.4	178.6	-53.5	166.6	-58.5	-179.3	6.3	110.6	D217 Y218 D489 Q532 I552	D217-R550 WeakPolarHBondContact CA-O 3.34Å; D217-R550 WeakPolarHBondContact OD1-CB 3.11Å; D217-R550 IonicContact OD1-CZ 3.75Å; D217-R550 PolarHBondContact OD1-N 3.35Å; D217-R550 VanDerWaalsContact OD1-N 3.16Å; D217-R550 IonicContact OD1-NE 2.81Å; D217-R550 PolarHBondContact OD1-NE 3.32Å; D217-R550 IonicContact OD1-NH2 2.95Å; D217-R550 IonicContact OD2-CZ 3.57Å; D217-R550 IonicContact OD2-NE 2.84Å; D217-R550 PolarHBondContact OD2-NE 2.85Å; D217-R550 IonicContact OD2-NH2 3.84Å; D217-R550 PolarHBondContact OD2-NH2 3.04Å; Y218-R550 PolarHBondContact N-O 3.16Å; D489-R550 IonicContact OD2-NH2 2.75Å; Q532-R550 VanDerWaalsContact CD-NE 3.33Å; R550-I552 HydrophobicContact CB-CD1 4.33Å; R550-I552 PolarHBondContact O-N 3.39Å
551	F	98.8	Very high	96.7	Very high	38 Å²	38	59.9 Å²	59.9	17%	0.167	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-66	130.4	165.7	-178.3	-114.7	0	0	0	110.9	F203 H207 Y218 L220 K242 P553	F203-F551 HydrophobicContact CE2-CE2 4.49Å; F203-F551 HydrophobicContact CE2-CZ 4.27Å; F203-F551 HydrophobicContact CZ-CE2 4.44Å; F203-F551 HydrophobicContact CZ-CZ 4.03Å; H207-F551 AromaticContact CD2-CD1 3.99Å; H207-F551 AromaticContact CD2-CD2 3.75Å; H207-F551 AromaticContact CD2-CG 3.65Å; H207-F551 WeakPolarHBondContact NE2-CB 3.37Å; H207-F551 AromaticContact NE2-CD1 3.55Å; H207-F551 AromaticContact NE2-CG 3.39Å; H207-F551 WeakPolarHBondContact NE2-CG 3.49Å; Y218-F551 HydrophobicContact CD2-CD2 4.13Å; Y218-F551 HydrophobicContact CE1-CB 4.07Å; Y218-F551 HydrophobicContact CE2-CB 4.17Å; Y218-F551 AromaticContact CE2-CD2 3.65Å; Y218-F551 HydrophobicContact CE2-CD2 3.65Å; Y218-F551 HydrophobicContact CE2-CG 4.37Å; Y218-F551 CarbonylContact O-C 3.55Å; Y218-F551 WeakPolarHBondContact O-CA 3.15Å; L220-F551 HydrophobicContact CB-CE2 4.43Å; L220-F551 HydrophobicContact CD1-CE2 4.46Å; L220-F551 HydrophobicContact CG-CE2 4.27Å; K242-F551 WeakPolarHBondContact O-CE1 3.48Å; K242-F551 WeakPolarHBondContact O-CZ 3.43Å; F551-P553 HydrophobicContact CD1-CB 4.47Å; F551-P553 HydrophobicContact CE1-CB 3.93Å; F551-P553 WeakPolarHBondContact O-CD 3.29Å
552	I	98.7	Very high	96.9	Very high	3 Å²	3	55.2 Å²	55.2	2%	0.015	28%	0.279	C	S	.	.			trans	-110	99.7	178.2	-49.4	-59.3	0	0	0	109	M186 D217 Y218 S219 L477 R550 R554	M186-I552 HydrophobicContact CE-CB 3.88Å; M186-I552 HydrophobicContact CE-CG1 4.09Å; M186-I552 HydrophobicContact CE-CG2 4.46Å; D217-I552 HydrophobicContact CB-CD1 4.09Å; D217-I552 HydrophobicContact CB-CG1 3.84Å; D217-I552 WeakPolarHBondContact OD2-CD1 3.36Å; Y218-I552 PolarHBondContact O-N 3.21Å; S219-I552 WeakPolarHBondContact CB-O 3.32Å; S219-I552 PolarHBondContact OG-O 2.97Å; L477-I552 HydrophobicContact CD2-CB 4.39Å; L477-I552 HydrophobicContact CD2-CG2 3.45Å; L477-I552 VanDerWaalsContact CD2-CG2 3.45Å; R550-I552 HydrophobicContact CB-CD1 4.33Å; R550-I552 PolarHBondContact O-N 3.39Å; I552-R554 WeakPolarHBondContact O-CG 3.22Å
553	P	98.4	Very high	96.9	Very high	76 Å²	76	58.8 Å²	58.8	49%	0.494	30%	0.295	S	S	.	.			trans	-67.5	137.4	177.5	26.9	-34.1	0	0	0	110.6	F551	F551-P553 HydrophobicContact CD1-CB 4.47Å; F551-P553 HydrophobicContact CE1-CB 3.93Å; F551-P553 WeakPolarHBondContact O-CD 3.29Å
554	R	98.3	Very high	96.8	Very high	1 Å²	1	58.8 Å²	58.8	0%	0.004	29%	0.287	C	S	.	.			trans	-113	118.7	-175	-48.1	-167.9	-55	-91	-3.1	109.6	S219 L220 H221 G243 N245 S246 F475 L477 I552	S219-R554 WeakPolarHBondContact OG-CG 3.22Å; S219-R554 PolarHBondContact OG-NH1 3.01Å; L220-R554 VanDerWaalsContact N-NH1 3.13Å; L220-R554 VanDerWaalsContact O-CZ 3.28Å; L220-R554 PolarHBondContact O-NH1 3.04Å; L220-R554 PolarHBondContact O-NH2 3.47Å; H221-R554 PolarHBondContact ND1-NH2 2.67Å; G243-R554 CarbonylContact C-O 3.57Å; G243-R554 PolarHBondContact O-N 3.22Å; G243-R554 VanDerWaalsContact O-O 3.13Å; N245-R554 HydrophobicContact CB-CB 4.3Å; N245-R554 VanDerWaalsContact CG-CB 3.5Å; N245-R554 WeakPolarHBondContact ND2-CB 3.39Å; N245-R554 PolarHBondContact OD1-NE 2.88Å; N245-R554 PolarHBondContact OD1-NH2 3.26Å; S246-R554 PolarHBondContact OG-NH2 2.59Å; F475-R554 WeakPolarHBondContact O-CD 3.37Å; L477-R554 HydrophobicContact CD2-CG 4.04Å; I552-R554 WeakPolarHBondContact O-CG 3.22Å
555	K	97.8	Very high	96.7	Very high	167 Å²	167	57.9 Å²	57.9	73%	0.726	28%	0.282	S	S	*	.			trans	-69.9	143.5	179.7	-67	-178.6	179.7	-179.6	0	111	N245 N476	N245-K555 PolarHBondContact ND2-O 3.38Å; N476-K555 PolarHBondContact ND2-O 3.42Å
556	A	97.8	Very high	96.6	Very high	24 Å²	24	56.8 Å²	56.8	20%	0.198	27%	0.271	C	S	.	.	S	Bend	trans	-63.1	171	169.1	0	0	0	0	0	113.1	V239 L274	V239-A556 HydrophobicContact CG1-CB 3.7Å; L274-A556 VanDerWaalsContact O-CB 3.31Å; L274-A556 WeakPolarHBondContact O-CB 3.45Å
557	F	98	Very high	96.5	Very high	93 Å²	93	55.4 Å²	55.4	41%	0.408	27%	0.269	S	S	.	.	S	Bend	trans	51.9	57.8	-174.5	-56.3	-86.9	0	0	0	113.7	G273 G275 E559 Y562	G273-F557 WeakPolarHBondContact O-CZ 3.29Å; G275-F557 VanDerWaalsContact CA-CD1 3.48Å; G275-F557 WeakPolarHBondContact O-CA 3.27Å; G275-F557 PolarHBondContact O-N 3.06Å; F557-E559 PolarHBondContact O-N 3.5Å; F557-Y562 HydrophobicContact CB-CG 4.38Å; F557-Y562 AromaticContact CD1-CD1 3.71Å; F557-Y562 HydrophobicContact CD1-CD1 3.71Å; F557-Y562 HydrophobicContact CD1-CE1 4.14Å; F557-Y562 AromaticContact CD1-CG 3.99Å; F557-Y562 HydrophobicContact CD1-CG 3.99Å; F557-Y562 HydrophobicContact CE1-CD1 4.27Å; F557-Y562 HydrophobicContact CE1-CE1 4.37Å
558	P	97.6	Very high	96.2	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	26%	0.261	C	S	.	.			trans	-51.3	115.9	171.7	-18.2	25.6	0	0	0	110.1	G275 V277 I474 N476 H560 L561 Y562	G275-P558 WeakPolarHBondContact O-CD 3.25Å; V277-P558 HydrophobicContact CG2-CG 4.02Å; I474-P558 WeakPolarHBondContact O-CB 3.36Å; I474-P558 VanDerWaalsContact O-CG 3.32Å; I474-P558 WeakPolarHBondContact O-CG 3.24Å; N476-P558 HydrophobicContact CB-CB 3.95Å; N476-P558 HydrophobicContact CB-CG 4.04Å; P558-H560 PolarHBondContact O-N 2.93Å; P558-L561 HydrophobicContact CB-CD1 4.24Å; P558-L561 HydrophobicContact CB-CG 4.23Å; P558-L561 HydrophobicContact CG-CD1 4.23Å; P558-L561 PolarHBondContact O-N 3.23Å; P558-Y562 PolarHBondContact O-N 3.01Å
559	E	95.9	Very high	95.9	Very high	88 Å²	88	57.7 Å²	57.7	41%	0.411	27%	0.27	S	S	.	.	H	α-helix	trans	-64.3	-32.1	-168.4	-172.6	63.3	-174.6	0	0	111.5	F557 L561 Y562 Q563 K566	F557-E559 PolarHBondContact O-N 3.5Å; E559-L561 PolarHBondContact O-N 2.9Å; E559-Y562 PolarHBondContact O-N 2.89Å; E559-Q563 HydrophobicContact CG-CB 4.16Å; E559-Q563 WeakPolarHBondContact O-CB 3.47Å; E559-Q563 PolarHBondContact O-N 3.36Å; E559-Q563 WeakPolarHBondContact OE1-CB 3.4Å; E559-Q563 WeakPolarHBondContact OE1-CG 3.45Å; E559-K566 IonicContact OE1-NZ 3.99Å; E559-K566 IonicContact OE2-NZ 3.87Å; E559-K566 PolarHBondContact OE2-NZ 2.91Å
560	H	94.9	Very high	95.5	Very high	87 Å²	87	66 Å²	66	40%	0.403	31%	0.305	S	S	.	.	H	α-helix	trans	-49.5	-32.7	170.8	-176.3	69.9	0	0	0	113.6	K473 P558	K473-H560 HydrophobicContact CB-CB 4.33Å; P558-H560 PolarHBondContact O-N 2.93Å
561	L	95.9	Very high	95	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-98.4	-53.8	177.5	-51.3	-178.1	0	0	0	111.1	V277 P332 F358 I474 P558 E559 Q563 R564 V565	V277-L561 HydrophobicContact CB-CD1 4.44Å; V277-L561 HydrophobicContact CG1-CD1 4.21Å; V277-L561 HydrophobicContact CG2-CD1 3.65Å; P332-L561 HydrophobicContact CB-CB 4.42Å; P332-L561 HydrophobicContact CB-CD1 4.28Å; P332-L561 HydrophobicContact CG-CB 4.5Å; P332-L561 HydrophobicContact CG-CD1 4.37Å; F358-L561 HydrophobicContact CD2-CD2 4.4Å; F358-L561 HydrophobicContact CE1-CD2 4.17Å; F358-L561 HydrophobicContact CE2-CD2 3.4Å; F358-L561 VanDerWaalsContact CE2-CD2 3.4Å; F358-L561 HydrophobicContact CZ-CD2 3.25Å; I474-L561 HydrophobicContact CG1-CD2 4.41Å; I474-L561 HydrophobicContact CG2-CD1 4.37Å; P558-L561 HydrophobicContact CB-CD1 4.24Å; P558-L561 HydrophobicContact CB-CG 4.23Å; P558-L561 HydrophobicContact CG-CD1 4.23Å; P558-L561 PolarHBondContact O-N 3.23Å; E559-L561 PolarHBondContact O-N 2.9Å; L561-Q563 PolarHBondContact O-N 3.03Å; L561-R564 PolarHBondContact O-N 2.75Å; L561-V565 PolarHBondContact O-N 3.18Å
562	Y	96.9	Very high	94.3	Very high	5 Å²	5	72.3 Å²	72.3	2%	0.02	34%	0.343	C	S	.	.	H	α-helix	trans	-79.5	-18.6	-164.8	-84.9	-90.6	0	0	0	114.3	K272 G275 A276 P332 F557 P558 E559 R564 V565 K566	K272-Y562 HydrophobicContact CG-CE1 4.49Å; G275-Y562 VanDerWaalsContact C-CZ 3.44Å; G275-Y562 VanDerWaalsContact CA-CZ 3.46Å; G275-Y562 VanDerWaalsContact O-CE2 3.26Å; G275-Y562 WeakPolarHBondContact O-CE2 3.44Å; A276-Y562 PolarHBondContact N-OH 3.18Å; A276-Y562 PolarHBondContact O-OH 2.86Å; P332-Y562 HydrophobicContact CG-CE2 3.97Å; F557-Y562 HydrophobicContact CB-CG 4.38Å; F557-Y562 AromaticContact CD1-CD1 3.71Å; F557-Y562 HydrophobicContact CD1-CD1 3.71Å; F557-Y562 HydrophobicContact CD1-CE1 4.14Å; F557-Y562 AromaticContact CD1-CG 3.99Å; F557-Y562 HydrophobicContact CD1-CG 3.99Å; F557-Y562 HydrophobicContact CE1-CD1 4.27Å; F557-Y562 HydrophobicContact CE1-CE1 4.37Å; P558-Y562 PolarHBondContact O-N 3.01Å; E559-Y562 PolarHBondContact O-N 2.89Å; Y562-R564 VanDerWaalsContact C-N 3.28Å; Y562-R564 PolarHBondContact O-N 2.62Å; Y562-V565 HydrophobicContact CD1-CB 4.07Å; Y562-V565 HydrophobicContact CD1-CG1 4.22Å; Y562-V565 HydrophobicContact CD1-CG2 4.22Å; Y562-V565 HydrophobicContact CE1-CG1 4.37Å; Y562-V565 HydrophobicContact CE1-CG2 4.47Å; Y562-V565 PolarHBondContact O-N 3.37Å; Y562-K566 WeakPolarHBondContact O-CB 3.15Å; Y562-K566 WeakPolarHBondContact O-CD 3.14Å; Y562-K566 WeakPolarHBondContact O-CG 3.46Å; Y562-K566 PolarHBondContact O-N 2.97Å
563	Q	95.3	Very high	93.3	Very high	106 Å²	106	74.4 Å²	74.4	50%	0.495	37%	0.365	S	S	.	.	H	α-helix	trans	-56.3	-46.1	169.3	-166.3	-177.8	37	0	0	110.9	E559 L561 K566 I567	E559-Q563 HydrophobicContact CG-CB 4.16Å; E559-Q563 WeakPolarHBondContact O-CB 3.47Å; E559-Q563 PolarHBondContact O-N 3.36Å; E559-Q563 WeakPolarHBondContact OE1-CB 3.4Å; E559-Q563 WeakPolarHBondContact OE1-CG 3.45Å; L561-Q563 PolarHBondContact O-N 3.03Å; Q563-K566 PolarHBondContact O-N 2.86Å; Q563-I567 HydrophobicContact CG-CD1 4.37Å; Q563-I567 WeakPolarHBondContact O-CG1 3.37Å; Q563-I567 PolarHBondContact O-N 3.12Å; Q563-I567 VanDerWaalsContact O-N 3.15Å
564	R	93.4	Very high	92.6	Very high	104 Å²	104	79.2 Å²	79.2	39%	0.392	39%	0.386	S	S	.	.	H	α-helix	trans	-68.1	-39	178.6	-66.3	173.6	65.3	-170.2	-1.5	111.8	G354 L356 L561 Y562 R568	G354-R564 PolarHBondContact O-NH2 2.98Å; L356-R564 HydrophobicContact CD1-CB 4.18Å; L356-R564 HydrophobicContact CD2-CB 4.25Å; L356-R564 VanDerWaalsContact CD2-CZ 3.41Å; L561-R564 PolarHBondContact O-N 2.75Å; Y562-R564 VanDerWaalsContact C-N 3.28Å; Y562-R564 PolarHBondContact O-N 2.62Å; R564-R568 WeakPolarHBondContact O-CB 3.41Å; R564-R568 WeakPolarHBondContact O-CG 3.47Å; R564-R568 PolarHBondContact O-N 3.24Å
565	V	94.3	Very high	92.1	Very high	3 Å²	3	87.9 Å²	87.9	2%	0.018	43%	0.426	C	S	.	.	H	α-helix	trans	-61.9	-50	174.9	178.8	0	0	0	0	111.2	L356 L561 Y562 I567 R568 N569	L356-V565 HydrophobicContact CD1-CG2 3.43Å; L356-V565 VanDerWaalsContact CD1-CG2 3.43Å; L561-V565 PolarHBondContact O-N 3.18Å; Y562-V565 HydrophobicContact CD1-CB 4.07Å; Y562-V565 HydrophobicContact CD1-CG1 4.22Å; Y562-V565 HydrophobicContact CD1-CG2 4.22Å; Y562-V565 HydrophobicContact CE1-CG1 4.37Å; Y562-V565 HydrophobicContact CE1-CG2 4.47Å; Y562-V565 PolarHBondContact O-N 3.37Å; V565-I567 VanDerWaalsContact C-N 3.32Å; V565-I567 PolarHBondContact O-N 3.23Å; V565-R568 PolarHBondContact O-N 2.85Å; V565-N569 PolarHBondContact O-N 3.25Å
566	K	93.3	Very high	91.7	Very high	92 Å²	92	83.6 Å²	83.6	40%	0.4	43%	0.43	S	S	.	.	H	α-helix	trans	-55.8	-45.1	179.1	-71.4	162	-171.8	171.3	0	111.3	E559 Y562 Q563 K570	E559-K566 IonicContact OE1-NZ 3.99Å; E559-K566 IonicContact OE2-NZ 3.87Å; E559-K566 PolarHBondContact OE2-NZ 2.91Å; Y562-K566 WeakPolarHBondContact O-CB 3.15Å; Y562-K566 WeakPolarHBondContact O-CD 3.14Å; Y562-K566 WeakPolarHBondContact O-CG 3.46Å; Y562-K566 PolarHBondContact O-N 2.97Å; Q563-K566 PolarHBondContact O-N 2.86Å; K566-K570 WeakPolarHBondContact O-CG 3.47Å
567	I	92.8	Very high	91.6	Very high	98 Å²	98	87.3 Å²	87.3	50%	0.503	45%	0.45	S	S	.	.	H	α-helix	trans	-67.1	-46	178.1	-66.4	166.4	0	0	0	110.9	Q563 V565 N569 K570 V571	Q563-I567 HydrophobicContact CG-CD1 4.37Å; Q563-I567 WeakPolarHBondContact O-CG1 3.37Å; Q563-I567 PolarHBondContact O-N 3.12Å; Q563-I567 VanDerWaalsContact O-N 3.15Å; V565-I567 VanDerWaalsContact C-N 3.32Å; V565-I567 PolarHBondContact O-N 3.23Å; I567-N569 PolarHBondContact O-N 3.17Å; I567-K570 WeakPolarHBondContact O-CB 3.49Å; I567-K570 PolarHBondContact O-N 3.36Å; I567-K570 VanDerWaalsContact O-N 3.11Å; I567-V571 PolarHBondContact O-N 3.06Å
568	R	91.7	Very high	91.4	Very high	53 Å²	53	88.6 Å²	88.6	20%	0.2	47%	0.471	C	S	.	.	H	α-helix	trans	-61.1	-43.1	179.7	-77.8	177.7	178.7	171.7	0.5	113.3	N330 G354 R564 V565 K570 V571 F572	N330-R568 VanDerWaalsContact ND2-CB 3.28Å; N330-R568 WeakPolarHBondContact ND2-CB 3.19Å; N330-R568 VanDerWaalsContact OD1-CD 3.22Å; N330-R568 WeakPolarHBondContact OD1-CD 3.35Å; G354-R568 VanDerWaalsContact O-CZ 3.23Å; G354-R568 PolarHBondContact O-NH1 3.5Å; G354-R568 PolarHBondContact O-NH2 3.25Å; R564-R568 WeakPolarHBondContact O-CB 3.41Å; R564-R568 WeakPolarHBondContact O-CG 3.47Å; R564-R568 PolarHBondContact O-N 3.24Å; V565-R568 PolarHBondContact O-N 2.85Å; R568-K570 PolarHBondContact O-N 2.8Å; R568-V571 PolarHBondContact O-N 3.1Å; R568-V571 VanDerWaalsContact O-N 3.16Å; R568-F572 HydrophobicContact CB-CD2 4.15Å; R568-F572 HydrophobicContact CG-CD2 4.25Å; R568-F572 HydrophobicContact CG-CE2 4.2Å; R568-F572 WeakPolarHBondContact O-CD2 3.35Å; R568-F572 PolarHBondContact O-N 3.38Å
569	N	89.7	Confident	91.2	Very high	80 Å²	80	97.9 Å²	97.9	43%	0.428	51%	0.506	S	S	.	.	H	α-helix	trans	-59.5	-28.9	176.8	-69.3	-20.7	0	0	0	112.3	K272 N330 V565 I567	K272-N569 PolarHBondContact NZ-OD1 3.43Å; N330-N569 PolarHBondContact ND2-OD1 3.5Å; V565-N569 PolarHBondContact O-N 3.25Å; I567-N569 PolarHBondContact O-N 3.17Å
570	K	88.7	Confident	91.1	Very high	179 Å²	179	97 Å²	97	78%	0.778	52%	0.521	S	S	*	.	H	α-helix	trans	-77.5	-36.3	176.3	-68	177.1	178.8	-175.1	0	113.2	K566 I567 R568	K566-K570 WeakPolarHBondContact O-CG 3.47Å; I567-K570 WeakPolarHBondContact O-CB 3.49Å; I567-K570 PolarHBondContact O-N 3.36Å; I567-K570 VanDerWaalsContact O-N 3.11Å; R568-K570 PolarHBondContact O-N 2.8Å
571	V	87.8	Confident	90.9	Very high	106 Å²	106	101.5 Å²	101.5	64%	0.642	54%	0.544	S	S	*	.	H	α-helix	trans	-86.2	-38.9	-174.7	178.1	0	0	0	0	112.2	I567 R568 G573	I567-V571 PolarHBondContact O-N 3.06Å; R568-V571 PolarHBondContact O-N 3.1Å; R568-V571 VanDerWaalsContact O-N 3.16Å; V571-G573 VanDerWaalsContact C-N 3.33Å; V571-G573 PolarHBondContact O-N 3.47Å
572	F	82.6	Confident	90.8	Very high	154 Å²	154	109.1 Å²	109.1	68%	0.675	57%	0.574	S	S	*	*	S	Bend	trans	-95.8	33.4	-175.5	-65	-77.2	0	0	0	113.3	R568 L574	R568-F572 HydrophobicContact CB-CD2 4.15Å; R568-F572 HydrophobicContact CG-CD2 4.25Å; R568-F572 HydrophobicContact CG-CE2 4.2Å; R568-F572 WeakPolarHBondContact O-CD2 3.35Å; R568-F572 PolarHBondContact O-N 3.38Å; F572-L574 PolarHBondContact O-N 3.26Å
573	G	78.6	Confident	90.5	Very high	46 Å²	46	116.6 Å²	116.6	47%	0.474	61%	0.614	S	S	.	*			trans	-61.9	126.1	175.1	0	0	0	0	0	111.3	V571 Q575	V571-G573 VanDerWaalsContact C-N 3.33Å; V571-G573 PolarHBondContact O-N 3.47Å; G573-Q575 PolarHBondContact O-N 3.37Å
574	L	83.8	Confident	90.4	Very high	177 Å²	177	112.8 Å²	112.8	93%	0.927	60%	0.603	S	S	*	*			trans	-66.5	126.7	177	-66.5	175.3	0	0	0	110.2	F572	F572-L574 PolarHBondContact O-N 3.26Å
575	Q	86.8	Confident	90.3	Very high	183 Å²	183	113.5 Å²	113.5	86%	0.855	62%	0.621	S	S	*	*			trans	-115.7	123.2	177.5	-65.9	-177	-1.3	0	0	110.2	G573	G573-Q575 PolarHBondContact O-N 3.37Å
576	G	90.5	Very high	90.1	Very high	78 Å²	78	119 Å²	119	80%	0.804	65%	0.654	S	S	*	*			trans	-72.1	137	168.1	0	0	0	0	0	110.4	S578	G576-S578 PolarHBondContact O-N 2.57Å
577	V	94.7	Very high	90	Very high	101 Å²	101	123.9 Å²	123.9	61%	0.612	67%	0.672	S	S	*	*			trans	-70.5	115.3	169.2	179.1	0	0	0	0	108.2	R579	V577-R579 HydrophobicContact CG1-CG 4.19Å; V577-R579 PolarHBondContact O-N 3.37Å
578	S	93.8	Very high	89.7	Confident	121 Å²	121	127.8 Å²	127.8	85%	0.846	69%	0.688	S	S	*	*			trans	-61.8	126.2	170.3	-171.9	0	0	0	0	109.5	G576	G576-S578 PolarHBondContact O-N 2.57Å
579	R	94.3	Very high	89.3	Confident	194 Å²	194	131 Å²	131	73%	0.732	71%	0.713	S	S	*	*			trans	-129.8	149.9	178.7	-65.9	-176.6	-178.8	90.1	-5.9	108.6	V577	V577-R579 HydrophobicContact CG1-CG 4.19Å; V577-R579 PolarHBondContact O-N 3.37Å
580	G	92.5	Very high	88.8	Confident	71 Å²	71	132.4 Å²	132.4	73%	0.732	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-62	161.8	166.4	0	0	0	0	0	111.3	Y582	G580-Y582 PolarHBondContact O-N 3.12Å
581	M	91	Very high	88	Confident	181 Å²	181	128.4 Å²	128.4	89%	0.892	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-57.4	134.7	167.9	-70.7	-66.7	-71.3	0	0	109.3	D583	M581-D583 PolarHBondContact O-N 3.35Å
582	Y	93.9	Very high	86.9	Confident	159 Å²	159	129.3 Å²	129.3	62%	0.624	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-69.8	121.1	172.4	176.7	-105	0	0	0	109.4	G580 G584 P585 V586	G580-Y582 PolarHBondContact O-N 3.12Å; Y582-G584 VanDerWaalsContact CE1-C 3.4Å; Y582-G584 WeakPolarHBondContact CE1-O 3.11Å; Y582-G584 VanDerWaalsContact CZ-CA 3.47Å; Y582-P585 PolarHBondContact OH-O 3.43Å; Y582-P585 VanDerWaalsContact OH-O 3.12Å; Y582-V586 HydrophobicContact CD1-CG2 4.09Å; Y582-V586 HydrophobicContact CE1-CG2 3.85Å
583	D	91.6	Very high	85.7	Confident	163 Å²	163	127.3 Å²	127.3	87%	0.872	74%	0.735	S	S	*	*			trans	-106.5	-2.2	-176.3	61.2	-17.8	0	0	0	113.3	M581	M581-D583 PolarHBondContact O-N 3.35Å
584	G	93.5	Very high	84.8	Confident	25 Å²	25	134.7 Å²	134.7	26%	0.258	75%	0.754	S	S	.	*	S	Bend	trans	-76.5	171.4	175.6	0	0	0	0	0	114	Y582	Y582-G584 VanDerWaalsContact CE1-C 3.4Å; Y582-G584 WeakPolarHBondContact CE1-O 3.11Å; Y582-G584 VanDerWaalsContact CZ-CA 3.47Å
585	P	90.9	Very high	83.3	Confident	119 Å²	119	137.2 Å²	137.2	77%	0.773	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-67.5	134.8	178.3	28.6	-34.7	0	0	0	111.8	Y582	Y582-P585 PolarHBondContact OH-O 3.43Å; Y582-P585 VanDerWaalsContact OH-O 3.12Å
586	V	90.7	Very high	81.2	Confident	118 Å²	118	132.6 Å²	132.6	72%	0.715	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-102.1	132.1	170.5	-178.7	0	0	0	0	108.7	Y582 E588	Y582-V586 HydrophobicContact CD1-CG2 4.09Å; Y582-V586 HydrophobicContact CE1-CG2 3.85Å; V586-E588 PolarHBondContact O-N 3.23Å
587	Y	91.3	Very high	79.1	Confident	195 Å²	195	134.9 Å²	134.9	77%	0.765	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-73.9	124.1	175	-172.9	-85.8	0	0	0	110.1	V589	Y587-V589 HydrophobicContact CD1-CG2 4.3Å; Y587-V589 PolarHBondContact O-N 3.21Å; Y587-V589 VanDerWaalsContact O-N 3.09Å
588	E	85.2	Confident	76.7	Confident	181 Å²	181	136.5 Å²	136.5	85%	0.846	76%	0.757	S	S	*	*			trans	-67.7	108	174.1	-70.7	-168.3	168.1	0	0	110.3	V586 P590	V586-E588 PolarHBondContact O-N 3.23Å; E588-P590 WeakPolarHBondContact O-CD 3.36Å
589	V	82.9	Confident	74	Confident	121 Å²	121	135 Å²	135	73%	0.733	75%	0.752	S	S	*	*			trans	-84.1	115.7	167.5	-178.3	0	0	0	0	107.4	Y587 A591	Y587-V589 HydrophobicContact CD1-CG2 4.3Å; Y587-V589 PolarHBondContact O-N 3.21Å; Y587-V589 VanDerWaalsContact O-N 3.09Å; V589-A591 PolarHBondContact O-N 3.43Å
590	P	79.5	Confident	71.4	Confident	108 Å²	108	131.7 Å²	131.7	70%	0.701	76%	0.756	S	S	*	*			trans	-58.1	126.2	175.8	-22.6	33.7	0	0	0	109.5	E588 T592	E588-P590 WeakPolarHBondContact O-CD 3.36Å; P590-T592 PolarHBondContact O-N 2.94Å
591	A	72.7	Confident	69.2	Low	96 Å²	96	134.2 Å²	134.2	79%	0.793	76%	0.763	S	S	*	*			trans	-62.6	107	177.7	0	0	0	0	0	109.4	V589 P593	V589-A591 PolarHBondContact O-N 3.43Å; A591-P593 WeakPolarHBondContact O-CD 3.39Å
592	T	63.4	Low	66.5	Low	124 Å²	124	130.2 Å²	130.2	76%	0.761	76%	0.758	S	S	*	*			trans	-59.5	121.2	166.6	35	0	0	0	0	107.8	P590 K594	P590-T592 PolarHBondContact O-N 2.94Å; T592-K594 PolarHBondContact O-N 2.78Å
593	P	58.1	Low	64.1	Low	112 Å²	112	132.4 Å²	132.4	73%	0.727	77%	0.771	S	S	*	*			trans	-63.5	113.8	-175.4	23.4	-32.4	0	0	0	109.4	A591 Y595	A591-P593 WeakPolarHBondContact O-CD 3.39Å; P593-Y595 PolarHBondContact O-N 2.8Å; P593-Y595 VanDerWaalsContact O-N 3.11Å
594	K	60.2	Low	61.4	Low	201 Å²	201	130.3 Å²	130.3	87%	0.874	77%	0.769	S	S	*	*	S	Bend	trans	-65	111.1	171.6	-72.1	-174.9	177.1	-178	0	108.1	T592	T592-K594 PolarHBondContact O-N 2.78Å
595	Y	51.5	Low	58.6	Low	231 Å²	231	134.6 Å²	134.6	91%	0.906	80%	0.795	S	S	*	*			trans	52	87.7	176	-73.8	-91.9	0	0	0	115.2	P593 T597	P593-Y595 PolarHBondContact O-N 2.8Å; P593-Y595 VanDerWaalsContact O-N 3.11Å; Y595-T597 PolarHBondContact O-N 2.82Å
596	A	44.1	Very low	56.2	Low	86 Å²	86	135.2 Å²	135.2	71%	0.711	80%	0.799	S	S	*	*			trans	-70.8	116.1	156.3	0	0	0	0	0	109.4
597	T	44.6	Very low	53.6	Low	126 Å²	126	135.2 Å²	135.2	77%	0.773	80%	0.804	S	S	*	*			trans	-60.1	138.1	160.8	20.9	0	0	0	0	109.2	Y595 A599	Y595-T597 PolarHBondContact O-N 2.82Å; T597-A599 PolarHBondContact O-N 2.97Å
598	P	45.1	Very low	51.6	Low	134 Å²	134	135.2 Å²	135.2	87%	0.87	81%	0.808	S	S	*	*			trans	-72.8	95.2	-177.2	28.6	-33.8	0	0	0	110.9
599	A	37.5	Very low	49.6	Very low	89 Å²	89	135.9 Å²	135.9	74%	0.736	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-82.1	149.2	169	0	0	0	0	0	110.7	T597	T597-A599 PolarHBondContact O-N 2.97Å
600	P	39.2	Very low	47.6	Very low	125 Å²	125	139.1 Å²	139.1	81%	0.812	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-76.2	153.3	-156.9	29	-36.2	0	0	0	114.8	A602	P600-A602 PolarHBondContact O-N 3.23Å
601	S	45.7	Very low	46.2	Very low	125 Å²	125	139.1 Å²	139.1	87%	0.874	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-59.1	120.1	178.2	-173.7	0	0	0	0	112.6
602	A	35	Very low	45.2	Very low	97 Å²	97	139.9 Å²	139.9	80%	0.802	82%	0.815	S	S	*	*			trans	-125.9	121.7	168.3	0	0	0	0	0	109.6	P600	P600-A602 PolarHBondContact O-N 3.23Å
603	K	42.9	Very low	44.5	Very low	205 Å²	205	140 Å²	140	89%	0.891	82%	0.818	S	S	*	*			trans	-76.5	132.8	-178.9	-62.8	171.7	178.6	174.6	0	110.8
604	S	34.6	Very low	44.1	Very low	118 Å²	118	142.5 Å²	142.5	83%	0.825	82%	0.823	S	S	*	*			trans	-149.8	155.3	151.6	64.7	0	0	0	0	111.6
605	S	36.2	Very low	43.4	Very low	116 Å²	116	143.5 Å²	143.5	81%	0.811	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-92.8	167.1	-159.5	-53.7	0	0	0	0	113.2
606	P	40.9	Very low	43.3	Very low	131 Å²	131	137.6 Å²	137.6	85%	0.851	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-85.1	134	-162.3	32.8	-34.3	0	0	0	113.9
607	S	35.5	Very low	43.6	Very low	119 Å²	119	140.5 Å²	140.5	83%	0.832	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-95.9	133	162.1	53.2	0	0	0	0	110.6
608	K	48.2	Very low	43.7	Very low	195 Å²	195	142.8 Å²	142.8	85%	0.848	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-79.4	126.9	175.4	-65.9	173	178.5	175.5	0	109
609	H	43.4	Very low	43.5	Very low	194 Å²	194	143.6 Å²	143.6	90%	0.898	80%	0.802	S	S	*	*			trans	169.6	93.6	138.2	-89.1	-61.6	0	0	0	109.1
610	Q	41.8	Very low	43.9	Very low	189 Å²	189	144.2 Å²	144.2	88%	0.883	80%	0.801	S	S	*	*			trans	-108.4	133.9	165	-89.6	-175.4	-23.2	0	0	109.4
611	P	49.9	Very low	44.1	Very low	108 Å²	108	145.6 Å²	145.6	70%	0.701	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-67.7	157.6	160.1	31	-32.9	0	0	0	110
612	P	51	Low	43.8	Very low	112 Å²	112	148.4 Å²	148.4	73%	0.727	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-64.9	146.6	-174.1	27.1	-35.2	0	0	0	112	I614	P612-I614 PolarHBondContact O-N 3.49Å
613	P	49.2	Very low	44.3	Very low	126 Å²	126	148 Å²	148	82%	0.818	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-68.7	123	-177.4	27.7	-34	0	0	0	111.1	R615	P613-R615 PolarHBondContact O-N 3.28Å; P613-R615 VanDerWaalsContact O-N 3.14Å
614	I	50.1	Low	44.3	Very low	165 Å²	165	146.8 Å²	146.8	85%	0.846	79%	0.792	S	S	*	*			trans	-69.1	109.5	168.2	-62	174.8	0	0	0	107.5	P612 N616	P612-I614 PolarHBondContact O-N 3.49Å; I614-N616 PolarHBondContact O-N 3.04Å
615	R	44.9	Very low	44.9	Very low	223 Å²	223	144.7 Å²	144.7	84%	0.842	78%	0.778	S	S	*	*			trans	-71.5	98.2	-179.2	-173.2	179.8	-176.6	176	1	110.1	P613 L617	P613-R615 PolarHBondContact O-N 3.28Å; P613-R615 VanDerWaalsContact O-N 3.14Å; R615-L617 PolarHBondContact O-N 3.09Å
616	N	49.3	Very low	45.6	Very low	106 Å²	106	143.8 Å²	143.8	57%	0.567	79%	0.786	S	S	*	*			trans	-73.3	111.8	177.1	-164.6	-27.2	0	0	0	110.2	I614 H618	I614-N616 PolarHBondContact O-N 3.04Å; N616-H618 PolarHBondContact O-N 3.05Å; N616-H618 PolarHBondContact OD1-N 3.47Å
617	L	49.6	Very low	46.3	Very low	147 Å²	147	141.2 Å²	141.2	77%	0.77	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-5.6	-170.9	-118.1	85.4	0	0	0	114.9	R615	R615-L617 PolarHBondContact O-N 3.09Å
618	H	48.2	Very low	47.2	Very low	175 Å²	175	142.5 Å²	142.5	81%	0.81	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.4	3.4	-173.9	-71.4	-84.5	0	0	0	115	N616 S620	N616-H618 PolarHBondContact O-N 3.05Å; N616-H618 PolarHBondContact OD1-N 3.47Å; H618-S620 PolarHBondContact O-N 3.2Å
619	Q	41.4	Very low	47.3	Very low	151 Å²	151	142 Å²	142	71%	0.706	77%	0.774	S	S	*	*			trans	-81.8	96	169.7	-75.6	-172.2	-19.8	0	0	110.9	N621	Q619-N621 PolarHBondContact O-N 3.13Å
620	S	45.4	Very low	47.8	Very low	101 Å²	101	137.2 Å²	137.2	71%	0.706	76%	0.755	S	S	*	*			trans	-76.2	110.7	167	-177.4	0	0	0	0	109.9	H618 F622	H618-S620 PolarHBondContact O-N 3.2Å; S620-F622 PolarHBondContact O-N 3.29Å
621	N	43.6	Very low	48.6	Very low	154 Å²	154	132.9 Å²	132.9	82%	0.824	74%	0.738	S	S	*	*			trans	-78.5	59.8	176.7	-77.2	-9	0	0	0	112	Q619	Q619-N621 PolarHBondContact O-N 3.13Å
622	F	39.1	Very low	48.9	Very low	184 Å²	184	135.7 Å²	135.7	81%	0.807	75%	0.747	S	S	*	*			trans	-103.7	93.3	170.1	-117.8	-87.5	0	0	0	110.3	S620	S620-F622 PolarHBondContact O-N 3.29Å
623	S	45.1	Very low	49	Very low	89 Å²	89	136.1 Å²	136.1	62%	0.622	74%	0.743	S	S	*	*			trans	-95.3	128.8	165.5	-173.4	0	0	0	0	109	S625	S623-S625 PolarHBondContact O-N 2.92Å; S623-S625 PolarHBondContact OG-OG 3.14Å
624	L	42.7	Very low	48.9	Very low	179 Å²	179	135.6 Å²	135.6	94%	0.937	74%	0.74	S	S	*	*	S	Bend	trans	-79.3	41.4	174.2	-81.8	165.8	0	0	0	112.3
625	S	48.1	Very low	48.6	Very low	75 Å²	75	138.7 Å²	138.7	52%	0.524	74%	0.741	S	S	.	*	S	Bend	trans	-120.5	107.9	172.6	57.5	0	0	0	0	107.6	S623 A627	S623-S625 PolarHBondContact O-N 2.92Å; S623-S625 PolarHBondContact OG-OG 3.14Å; S625-A627 PolarHBondContact O-N 3.03Å
626	G	50.4	Low	48.4	Very low	96 Å²	96	139.8 Å²	139.8	99%	0.99	75%	0.745	S	S	*	*	S	Bend	trans	-72.9	59.3	-166.8	0	0	0	0	0	116.2
627	A	55	Low	48	Very low	78 Å²	78	141.7 Å²	141.7	65%	0.645	76%	0.761	S	S	*	*			trans	-133.5	125.4	166.2	0	0	0	0	0	108.4	S625	S625-A627 PolarHBondContact O-N 3.03Å
628	Q	54	Low	47.8	Very low	145 Å²	145	137.9 Å²	137.9	68%	0.678	76%	0.757	S	S	*	*			trans	-95.8	152.3	179.2	-65.7	-166.5	-46.3	0	0	110.9	D630 D631	Q628-D630 PolarHBondContact O-N 2.95Å; Q628-D631 PolarHBondContact N-OD2 3.3Å; Q628-D631 PolarHBondContact O-N 3.21Å
629	I	50.8	Low	47.1	Very low	186 Å²	186	139 Å²	139	95%	0.954	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	-8.5	-165.8	-143.2	163.6	0	0	0	113.5
630	D	54.6	Low	47.2	Very low	93 Å²	93	143.1 Å²	143.1	50%	0.497	77%	0.771	S	S	.	*	T	Hydrogen-bonded Turn	trans	-112.6	4.5	-179.7	62.7	-38.6	0	0	0	114.3	Q628 N632 N633	Q628-D630 PolarHBondContact O-N 2.95Å; D630-N632 PolarHBondContact O-N 3.01Å; D630-N633 WeakPolarHBondContact O-CB 3.44Å; D630-N633 PolarHBondContact O-N 3.11Å
631	D	58.1	Low	46.8	Very low	97 Å²	97	145.6 Å²	145.6	52%	0.519	78%	0.775	S	S	.	*	T	Hydrogen-bonded Turn	trans	-58.7	-21	-179	-79.5	-31.4	0	0	0	114.1	Q628	Q628-D631 PolarHBondContact N-OD2 3.3Å; Q628-D631 PolarHBondContact O-N 3.21Å
632	N	55.4	Low	46.4	Very low	168 Å²	168	144.6 Å²	144.6	90%	0.898	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	5.5	176.5	-72.9	-51.7	0	0	0	114.4	D630	D630-N632 PolarHBondContact O-N 3.01Å
633	N	54	Low	46.5	Very low	121 Å²	121	139.9 Å²	139.9	65%	0.647	77%	0.769	S	S	*	*	S	Bend	trans	-99.5	117.4	-176.4	-154	10.3	0	0	0	111.1	D630 R635	D630-N633 WeakPolarHBondContact O-CB 3.44Å; D630-N633 PolarHBondContact O-N 3.11Å; N633-R635 PolarHBondContact O-N 3.35Å; N633-R635 VanDerWaalsContact O-N 3.13Å
634	P	46.7	Very low	46.5	Very low	115 Å²	115	141.3 Å²	141.3	75%	0.747	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-65.4	116	-174.1	24.1	-33.3	0	0	0	112.1	R636	P634-R636 PolarHBondContact O-N 2.92Å
635	R	44.4	Very low	46.4	Very low	229 Å²	229	139.2 Å²	139.2	86%	0.864	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-62.9	120.6	-176.8	-66.4	-176.9	177.5	-174.9	-0.4	111.7	N633	N633-R635 PolarHBondContact O-N 3.35Å; N633-R635 VanDerWaalsContact O-N 3.13Å
636	R	40.5	Very low	45.8	Very low	247 Å²	247	139.3 Å²	139.3	93%	0.932	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-73.8	141.2	162.9	-88	-173	171.7	-172.3	-2	110.6	P634	P634-R636 PolarHBondContact O-N 2.92Å
637	T	42	Very low	44.9	Very low	146 Å²	146	138.7 Å²	138.7	90%	0.896	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-79.8	128.9	179.9	35.9	0	0	0	0	112.6
638	G	43.8	Very low	44	Very low	67 Å²	67	146.3 Å²	146.3	69%	0.691	79%	0.792	S	S	*	*			trans	90.1	110.1	153.1	0	0	0	0	0	118
639	H	34.2	Very low	43.2	Very low	199 Å²	199	145.3 Å²	145.3	92%	0.921	80%	0.801	S	S	*	*			trans	-156.6	148.6	130.5	-104.9	-66.6	0	0	0	110.4
640	R	43.9	Very low	42.4	Very low	237 Å²	237	144 Å²	144	89%	0.894	80%	0.795	S	S	*	*			trans	-119.3	116.5	-170.4	-175.3	-172	-167.8	-174.7	5.3	109.7
641	I	36.1	Very low	41.8	Very low	153 Å²	153	146.7 Å²	146.7	79%	0.785	81%	0.809	S	S	*	*			trans	-141.4	103.4	174.5	-56.4	-177.4	0	0	0	105.4
642	V	36.6	Very low	41	Very low	132 Å²	132	148.8 Å²	148.8	80%	0.8	83%	0.825	S	S	*	*				70.4	130.7	84	-179.5	0	0	0	0	112.6
643	A	40.7	Very low	40.4	Very low	85 Å²	85	145.6 Å²	145.6	70%	0.702	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-63.7	157.6	-163	0	0	0	0	0	115.6
644	P	43.6	Very low	39.6	Very low	120 Å²	120	148.8 Å²	148.8	78%	0.779	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-70.1	154.2	-176.1	28.8	-36.5	0	0	0	113.6	G646	P644-G646 PolarHBondContact O-N 3.31Å
645	P	41.1	Very low	39.3	Very low	135 Å²	135	150.5 Å²	150.5	88%	0.877	87%	0.871	S	S	*	*	P	Polyproline II helix	trans	-69.5	127.5	176.7	-12.3	27.8	0	0	0	111.1
646	G	35.3	Very low	39	Very low	77 Å²	77	146.6 Å²	146.6	79%	0.794	87%	0.871	S	S	*	*	P	Polyproline II helix	trans	-79.6	142.3	178.7	0	0	0	0	0	113.5	P644	P644-G646 PolarHBondContact O-N 3.31Å
647	G	32.1	Very low	38.9	Very low	83 Å²	83	141.3 Å²	141.3	86%	0.856	87%	0.868	S	S	*	*	P	Polyproline II helix	trans	-90.2	128	153.5	0	0	0	0	0	109.7
648	R	35.9	Very low	38.8	Very low	238 Å²	238	141.1 Å²	141.1	90%	0.898	87%	0.866	S	S	*	*	P	Polyproline II helix	trans	-90.8	141	170.2	-77.2	-179.4	170.2	179.2	-3.4	110.1
649	S	37.3	Very low	38.5	Very low	124 Å²	124	145.4 Å²	145.4	87%	0.867	88%	0.877	S	S	*	*			trans	-146.9	147.4	150.9	-83.4	0	0	0	0	109.7
650	N	34.8	Very low	38.7	Very low	157 Å²	157	142.1 Å²	142.1	84%	0.84	87%	0.874	S	S	*	*			trans	-81.6	158	-154.6	-62.5	-37.6	0	0	0	116.1
651	I	40.6	Very low	38.4	Very low	151 Å²	151	135.7 Å²	135.7	77%	0.774	87%	0.873	S	S	*	*			trans	-77.6	136.7	156.5	-75.9	170.6	0	0	0	109.6
652	T	43.3	Very low	38.5	Very low	140 Å²	140	134.5 Å²	134.5	86%	0.859	88%	0.879	S	S	*	*			trans	-146.1	119.5	141.3	38.1	0	0	0	0	109.4
653	S	42.2	Very low	38.7	Very low	102 Å²	102	134.7 Å²	134.7	71%	0.713	89%	0.885	S	S	*	*			trans	-73.2	152	169.7	-20.5	0	0	0	0	111.1
654	L	37.3	Very low	38.5	Very low	187 Å²	187	138.8 Å²	138.8	98%	0.979	90%	0.9	S	S	*	*			trans	176.5	135.6	146.1	-100.9	161.1	0	0	0	110.4
655	G	39	Very low	38.1	Very low	152 Å²	152	140.5 Å²	140.5	100%	1.567	91%	0.911	S	S	*	*			trans	102.3	0	170.3	0	0	0	0	0	114.2

Retrieved 655 of 655 residues in 134.2 ms (Link to these results)

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