A0A093HUQ5_STRCA Loading...

Kelch-like 13

AlphaFold DB (A0A493TF30), UniProt , Accession A0A093HUQ5, Species STRCA (Struthio camelus australis), Gene n/a, Length 655 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	25.5	Very low	26.4	Very low	247 Å²	247	160.4 Å²	160.4	100%	1.217	87%	0.866	S	S	*	*				0	142.5	0	-88.5	-178.7	169.1	0	0	109
2	P	32	Very low	26.4	Very low	116 Å²	116	159.7 Å²	159.7	75%	0.753	86%	0.859	S	S	*	*	P	Polyproline II helix	trans	-103.9	150.8	-136.2	36.4	-30.6	0	0	0	113.5
3	L	23.7	Very low	26.4	Very low	179 Å²	179	164.8 Å²	164.8	94%	0.937	86%	0.859	S	S	*	*	P	Polyproline II helix	trans	-101.7	124.1	163.7	-89.8	157.1	0	0	0	109.7
4	K	26.1	Very low	26.3	Very low	198 Å²	198	167 Å²	167	86%	0.861	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-69.2	140.8	-168.5	-71.4	172.6	172.6	177.1	0	112.4
5	W	23.1	Very low	26.2	Very low	247 Å²	247	168.2 Å²	168.2	94%	0.936	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-67.7	132.6	163.9	-74.8	57.3	0	0	0	110.3
6	K	24.3	Very low	26.1	Very low	203 Å²	203	165.3 Å²	165.3	88%	0.883	85%	0.851	S	S	*	*			trans	-109.4	116.6	159.8	-98.4	-174.7	176.3	-179.1	0	108.1
7	T	26	Very low	26	Very low	137 Å²	137	162.8 Å²	162.8	84%	0.84	85%	0.845	S	S	*	*			trans	-70.1	128.1	169.9	44.1	0	0	0	0	110.7
8	S	25.7	Very low	26	Very low	119 Å²	119	160 Å²	160	83%	0.832	84%	0.838	S	S	*	*			trans	-139	130	158.4	54.3	0	0	0	0	109.6
9	S	28.3	Very low	26	Very low	114 Å²	114	158.5 Å²	158.5	80%	0.797	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-52.8	153.4	-169.6	-47.9	0	0	0	0	116.1	A11	S9-A11 PolarHBondContact O-N 3.47Å
10	P	28.6	Very low	26	Very low	123 Å²	123	158.7 Å²	158.7	80%	0.799	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-77.4	122.8	177.1	29.6	-30.8	0	0	0	111.6
11	A	26.9	Very low	25.9	Very low	81 Å²	81	160.6 Å²	160.6	67%	0.669	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-75	121	167	0	0	0	0	0	109.7	S9 W13	S9-A11 PolarHBondContact O-N 3.47Å; A11-W13 PolarHBondContact O-N 3.17Å
12	I	27.1	Very low	25.8	Very low	152 Å²	152	155.5 Å²	155.5	78%	0.779	82%	0.821	S	S	*	*			trans	-74.2	110.4	177	-63.2	165.4	0	0	0	108.5	K14	I12-K14 HydrophobicContact CG2-CG 4.14Å
13	W	25.4	Very low	25.5	Very low	227 Å²	227	155.7 Å²	155.7	86%	0.86	83%	0.825	S	S	*	*			trans	-92	106.5	166.6	-69.7	85.9	0	0	0	109	A11	A11-W13 PolarHBondContact O-N 3.17Å
14	K	25.5	Very low	25.5	Very low	195 Å²	195	158.7 Å²	158.7	85%	0.848	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-78	116.3	173.1	-73.3	-178	176.2	178.9	0	109.5	I12	I12-K14 HydrophobicContact CG2-CG 4.14Å
15	F	24.3	Very low	25.6	Very low	185 Å²	185	154.6 Å²	154.6	81%	0.811	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-89.1	133.3	161.4	-79.3	-86.5	0	0	0	109.5	V17	F15-V17 PolarHBondContact O-N 3.4Å
16	P	25.4	Very low	25.7	Very low	121 Å²	121	148.1 Å²	148.1	79%	0.786	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-77.1	119	174.7	28.6	-28.8	0	0	0	110.4
17	V	24.6	Very low	25.9	Very low	124 Å²	124	144.5 Å²	144.5	75%	0.752	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-91.4	120.7	171.2	-179.4	0	0	0	0	108.4	F15 V19	F15-V17 PolarHBondContact O-N 3.4Å; V17-V19 PolarHBondContact O-N 3.25Å
18	P	25.4	Very low	25.9	Very low	112 Å²	112	146.4 Å²	146.4	73%	0.727	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-78.1	120.6	169	-9	25.8	0	0	0	110.2	L20	P18-L20 PolarHBondContact O-N 3.28Å
19	V	25.6	Very low	26	Very low	132 Å²	132	145.9 Å²	145.9	80%	0.8	81%	0.81	S	S	*	*			trans	-75.4	111.7	171	175.9	0	0	0	0	108.9	V17	V17-V19 PolarHBondContact O-N 3.25Å
20	L	25.9	Very low	25.9	Very low	162 Å²	162	146.2 Å²	146.2	85%	0.848	81%	0.81	S	S	*	*			trans	-100.7	116	167.2	-95.1	153.1	0	0	0	109.4	P18	P18-L20 PolarHBondContact O-N 3.28Å
21	K	25.5	Very low	25.9	Very low	199 Å²	199	145.3 Å²	145.3	87%	0.865	81%	0.812	S	S	*	*			trans	-64.7	130.1	175.5	-75.7	177.3	174.8	177.4	0	110.5
22	T	23.1	Very low	25.7	Very low	139 Å²	139	152.2 Å²	152.2	85%	0.853	82%	0.823	S	S	*	*			trans	-77.3	124.3	171.3	50.1	0	0	0	0	111.3
23	S	25.3	Very low	25.6	Very low	120 Å²	120	152.5 Å²	152.5	84%	0.839	82%	0.824	S	S	*	*			trans	-108.8	123.7	158.7	56.5	0	0	0	0	109.4
24	R	24.4	Very low	25.5	Very low	243 Å²	243	147.3 Å²	147.3	92%	0.917	82%	0.822	S	S	*	*			trans	-82.4	142.1	176.3	-77.4	177.6	169.7	179.9	-3.4	111.6
25	S	26.5	Very low	25.4	Very low	112 Å²	112	145.4 Å²	145.4	78%	0.783	82%	0.821	S	S	*	*			trans	148	129.1	143.9	60.3	0	0	0	0	107.8
26	S	27.1	Very low	25.5	Very low	111 Å²	111	142.2 Å²	142.2	78%	0.776	82%	0.816	S	S	*	*			cis	-174.9	172.7	12	26.3	0	0	0	0	106.2
27	P	28.5	Very low	25.4	Very low	127 Å²	127	144.2 Å²	144.2	83%	0.825	82%	0.815	S	S	*	*			trans	-92.9	152.5	-146.4	36.8	-33.7	0	0	0	114.8
28	L	25.5	Very low	25.4	Very low	176 Å²	176	146.4 Å²	146.4	92%	0.921	82%	0.817	S	S	*	*			trans	-113.1	127.2	163.1	-84.5	159.7	0	0	0	109.2
29	S	27.1	Very low	25.4	Very low	108 Å²	108	150 Å²	150	76%	0.755	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-74.6	161.7	173.7	47.1	0	0	0	0	112.1
30	P	26.8	Very low	25.5	Very low	122 Å²	122	151 Å²	151	79%	0.792	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-82.2	130.2	-177.8	31.4	-31.1	0	0	0	111.5
31	A	27.2	Very low	26.4	Very low	103 Å²	103	147.6 Å²	147.6	85%	0.851	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-80.2	125.1	175.8	0	0	0	0	0	111.1
32	Y	24.6	Very low	26.5	Very low	226 Å²	226	146.8 Å²	146.8	89%	0.886	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-67.8	144.9	168.1	-100.3	-104.2	0	0	0	111.2
33	I	24.5	Very low	26.7	Very low	159 Å²	159	148 Å²	148	82%	0.815	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-78.8	124.9	165.8	-66.4	167.2	0	0	0	107.7
34	S	23.3	Very low	26.8	Very low	117 Å²	117	152.4 Å²	152.4	82%	0.818	81%	0.813	S	S	*	*			trans	-122.9	129.3	163.4	68.8	0	0	0	0	110.2
35	L	23.2	Very low	26.8	Very low	155 Å²	155	146.1 Å²	146.1	81%	0.812	80%	0.802	S	S	*	*			trans	-91.8	160.3	169.1	-74.2	159.6	0	0	0	110.1
36	V	25.3	Very low	26.8	Very low	118 Å²	118	146.2 Å²	146.2	72%	0.715	80%	0.803	S	S	*	*			trans	108.7	109.5	149.6	-170.7	0	0	0	0	118.2
37	E	24	Very low	26.7	Very low	164 Å²	164	148.8 Å²	148.8	77%	0.766	81%	0.807	S	S	*	*			trans	63.8	126.7	134	-66	167.9	174.2	0	0	125.4
38	E	24.8	Very low	26.5	Very low	170 Å²	170	146 Å²	146	79%	0.794	80%	0.801	S	S	*	*				85.4	139.5	127.8	-77.9	-166.6	169.4	0	0	124.6
39	E	25.6	Very low	26.6	Very low	186 Å²	186	143 Å²	143	87%	0.869	80%	0.795	S	S	*	*			trans	90.6	115.9	159.7	-69	-171.4	162.4	0	0	122.5
40	D	26.4	Very low	26.8	Very low	155 Å²	155	143 Å²	143	83%	0.829	80%	0.795	S	S	*	*			trans	-61.2	-175.9	160.5	-120.7	-25.9	0	0	0	112.3
41	P	45.2	Very low	26.9	Very low	89 Å²	89	144.7 Å²	144.7	58%	0.578	80%	0.797	S	S	*	*			cis	-133.3	169	-25.1	35.9	-18.3	0	0	0	112.7
42	H	27.9	Very low	27.4	Very low	183 Å²	183	147.7 Å²	147.7	85%	0.847	80%	0.796	S	S	*	*				175.2	126.5	126.8	-100.3	-68	0	0	0	113.7
43	M	27.9	Very low	28	Very low	164 Å²	164	140.9 Å²	140.9	81%	0.808	80%	0.795	S	S	*	*			trans	-46.7	138.2	168.8	-76.8	174.5	136.3	0	0	114.8
44	K	26.3	Very low	29.1	Very low	212 Å²	212	139.2 Å²	139.2	92%	0.922	79%	0.792	S	S	*	*				-145.7	112	127	-107.8	177.7	-174.2	178	0	110.3
45	V	26.2	Very low	30.3	Very low	111 Å²	111	136.7 Å²	136.7	67%	0.673	77%	0.774	S	S	*	*			trans	-81.2	132.7	170.8	173.9	0	0	0	0	108.7	L47	V45-L47 HydrophobicContact CG1-CD1 4.17Å
46	S	25.6	Very low	31.8	Very low	115 Å²	115	134 Å²	134	80%	0.804	77%	0.773	S	S	*	*			trans	-142.4	114.9	150.2	55.9	0	0	0	0	110.3
47	L	25.9	Very low	33.1	Very low	165 Å²	165	132.7 Å²	132.7	86%	0.864	76%	0.76	S	S	*	*			trans	-53.8	155	169.3	-56.8	99.5	0	0	0	110.9	V45	V45-L47 HydrophobicContact CG1-CD1 4.17Å
48	G	24.3	Very low	34.8	Very low	68 Å²	68	128.9 Å²	128.9	70%	0.701	74%	0.744	S	S	*	*			cis	139.5	140.8	18.2	0	0	0	0	0	108.8
49	S	26.1	Very low	36.5	Very low	113 Å²	113	126.7 Å²	126.7	79%	0.79	73%	0.734	S	S	*	*			trans	106.5	87.7	174.4	77	0	0	0	0	114.5
50	S	31.3	Very low	38.3	Very low	109 Å²	109	122.2 Å²	122.2	76%	0.762	72%	0.723	S	S	*	*				91.9	98.8	78.2	66.4	0	0	0	0	112
51	D	30.1	Very low	40	Very low	156 Å²	156	118.4 Å²	118.4	83%	0.834	71%	0.708	S	S	*	*			trans	-154.3	119.9	138.1	-130.8	-13.4	0	0	0	111.9
52	M	37	Very low	41.1	Very low	166 Å²	166	121.5 Å²	121.5	82%	0.818	71%	0.713	S	S	*	*			trans	54.3	82.4	162.3	-64.1	-87.5	-110.2	0	0	117.3	V54	M52-V54 PolarHBondContact O-N 2.87Å
53	G	38.2	Very low	42.2	Very low	84 Å²	84	117.3 Å²	117.3	87%	0.866	70%	0.7	S	S	*	*			trans	-57.3	93.8	167.2	0	0	0	0	0	112.2	S55	G53-S55 PolarHBondContact O-N 3.02Å
54	V	45.6	Very low	44.5	Very low	124 Å²	124	112.6 Å²	112.6	75%	0.752	69%	0.694	S	S	*	*			trans	-71	100.4	163.1	-172.5	0	0	0	0	105.9	M52 A56	M52-V54 PolarHBondContact O-N 2.87Å; V54-A56 PolarHBondContact O-N 2.98Å
55	S	50.4	Low	46.9	Very low	63 Å²	63	109.4 Å²	109.4	44%	0.441	69%	0.692	S	S	.	*			trans	-50	127.9	179.3	-156.6	0	0	0	0	109.5	G53 H57 L58	G53-S55 PolarHBondContact O-N 3.02Å; S55-H57 PolarHBondContact O-N 3.25Å; S55-L58 PolarHBondContact O-N 3.48Å; S55-L58 VanDerWaalsContact O-N 3.14Å
56	A	53.5	Low	49	Very low	98 Å²	98	107.6 Å²	107.6	81%	0.81	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.8	-2.6	-175.4	0	0	0	0	0	114.5	V54	V54-A56 PolarHBondContact O-N 2.98Å
57	H	53.5	Low	51.8	Low	92 Å²	92	110.7 Å²	110.7	43%	0.426	68%	0.675	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.4	-2.7	-178.7	-52.6	-58.2	0	0	0	114.4	S55 S71 N72 T73	S55-H57 PolarHBondContact O-N 3.25Å; H57-S71 WeakPolarHBondContact O-CA 3.36Å; H57-N72 PolarHBondContact O-N 3.01Å; H57-T73 HydrophobicContact CB-CG2 4.05Å; H57-T73 WeakPolarHBondContact ND1-CG2 3.48Å
58	L	58.2	Low	54.5	Low	83 Å²	83	107.5 Å²	107.5	44%	0.435	66%	0.655	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.7	113.7	-176.5	-78.1	151.8	0	0	0	111.4	S55 F69 T70	S55-L58 PolarHBondContact O-N 3.48Å; S55-L58 VanDerWaalsContact O-N 3.14Å; L58-F69 HydrophobicContact CD2-CB 4.35Å; L58-T70 WeakPolarHBondContact CA-O 3.2Å
59	Q	61.3	Low	57.4	Low	124 Å²	124	110.6 Å²	110.6	58%	0.579	65%	0.649	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-95.1	128.5	170.5	-68.8	-178.5	0.4	0	0	109.8	T70 N72	Q59-T70 PolarHBondContact N-O 2.82Å; Q59-T70 PolarHBondContact O-N 2.9Å; Q59-N72 PolarHBondContact NE2-ND2 3.43Å
60	S	62.6	Low	60.2	Low	93 Å²	93	109 Å²	109	65%	0.65	64%	0.635	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-110.1	130	177.9	73.1	0	0	0	0	111.9	F68	S60-F68 CarbonylContact C-O 3.58Å; S60-F68 VanDerWaalsContact CA-O 3.25Å; S60-F68 WeakPolarHBondContact CA-O 3.1Å
61	S	63.6	Low	63	Low	74 Å²	74	106.2 Å²	106.2	52%	0.517	62%	0.616	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.3	150.9	168.4	79.9	0	0	0	0	111.2	F68	S61-F68 PolarHBondContact N-O 2.71Å; S61-F68 PolarHBondContact O-N 3.08Å
62	K	67.1	Low	65.7	Low	155 Å²	155	102.8 Å²	102.8	67%	0.674	60%	0.597	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-123.6	123.4	-174.6	-167.9	-178.7	-179.2	-173.6	0	110.6	G64	K62-G64 WeakPolarHBondContact CE-O 3.36Å
63	T	52.3	Low	68.3	Low	94 Å²	94	97 Å²	97	58%	0.577	57%	0.571	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-130.9	111.6	166.4	44.4	0	0	0	0	108.8	T66 F68	T63-T66 PolarHBondContact N-O 3.46Å; T63-T66 PolarHBondContact O-N 2.88Å; T63-F68 WeakPolarHBondContact OG1-CE2 3.41Å
64	G	75.8	Confident	70.8	Confident	65 Å²	65	98.9 Å²	98.9	67%	0.67	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	64.2	-132.4	-174.4	0	0	0	0	0	113.3	K62	K62-G64 WeakPolarHBondContact CE-O 3.36Å
65	T	76.6	Confident	72.9	Confident	146 Å²	146	97.1 Å²	97.1	90%	0.896	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-7.8	177.2	45	0	0	0	0	113.7
66	T	70.6	Confident	74.8	Confident	73 Å²	73	96.6 Å²	96.6	45%	0.448	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	132.4	-176.3	-51.9	0	0	0	0	110.6	T63 F68	T63-T66 PolarHBondContact N-O 3.46Å; T63-T66 PolarHBondContact O-N 2.88Å; T66-F68 HydrophobicContact CG2-CD2 4.34Å; T66-F68 HydrophobicContact CG2-CE1 4.32Å; T66-F68 HydrophobicContact CG2-CE2 3.69Å; T66-F68 HydrophobicContact CG2-CZ 3.7Å
67	R	84.6	Confident	76.7	Confident	179 Å²	179	96 Å²	96	68%	0.675	53%	0.533	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.1	128.6	172	-64.2	-175.9	-174.5	-178.5	0.9	109	F69	R67-F69 HydrophobicContact CB-CE2 3.84Å; R67-F69 HydrophobicContact CB-CZ 4.16Å
68	F	80.7	Confident	78.6	Confident	99 Å²	99	94.6 Å²	94.6	43%	0.434	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	129.2	174.5	-63.7	-90.9	0	0	0	108.7	S60 S61 T63 T66	S60-F68 CarbonylContact C-O 3.58Å; S60-F68 VanDerWaalsContact CA-O 3.25Å; S60-F68 WeakPolarHBondContact CA-O 3.1Å; S61-F68 PolarHBondContact N-O 2.71Å; S61-F68 PolarHBondContact O-N 3.08Å; T63-F68 WeakPolarHBondContact OG1-CE2 3.41Å; T66-F68 HydrophobicContact CG2-CD2 4.34Å; T66-F68 HydrophobicContact CG2-CE1 4.32Å; T66-F68 HydrophobicContact CG2-CE2 3.69Å; T66-F68 HydrophobicContact CG2-CZ 3.7Å
69	F	86.6	Confident	80.3	Confident	132 Å²	132	92.4 Å²	92.4	58%	0.579	52%	0.519	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.1	131.4	175.9	-62	-87.8	0	0	0	109	L58 R67	L58-F69 HydrophobicContact CD2-CB 4.35Å; R67-F69 HydrophobicContact CB-CE2 3.84Å; R67-F69 HydrophobicContact CB-CZ 4.16Å
70	T	85.3	Confident	81.9	Confident	81 Å²	81	92.9 Å²	92.9	50%	0.497	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	131.8	175.5	-52.2	0	0	0	0	109	L58 Q59	L58-T70 WeakPolarHBondContact CA-O 3.2Å; Q59-T70 PolarHBondContact N-O 2.82Å; Q59-T70 PolarHBondContact O-N 2.9Å
71	S	88.3	Confident	83.4	Confident	50 Å²	50	90.1 Å²	90.1	35%	0.35	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	126.4	174.6	172.9	0	0	0	0	110.3	H57 T73 H74	H57-S71 WeakPolarHBondContact O-CA 3.36Å; S71-T73 VanDerWaalsContact C-N 3.32Å; S71-T73 PolarHBondContact OG-N 2.82Å; S71-T73 PolarHBondContact OG-OG1 3.37Å; S71-H74 PolarHBondContact OG-N 2.62Å
72	N	88.6	Confident	84.9	Confident	83 Å²	83	90 Å²	90	44%	0.444	50%	0.498	S	S	.	.	S	Bend	trans	-83.8	-8.2	-179.9	-64.4	-2.4	0	0	0	113.2	H57 Q59	H57-N72 PolarHBondContact O-N 3.01Å; Q59-N72 PolarHBondContact NE2-ND2 3.43Å
73	T	89.9	Confident	86.3	Confident	46 Å²	46	84.4 Å²	84.4	28%	0.282	48%	0.476	S	S	.	.	S	Bend	trans	-109.3	-12.1	-178.3	54	0	0	0	0	113.1	H57 S71 S75 S76 V77	H57-T73 HydrophobicContact CB-CG2 4.05Å; H57-T73 WeakPolarHBondContact ND1-CG2 3.48Å; S71-T73 VanDerWaalsContact C-N 3.32Å; S71-T73 PolarHBondContact OG-N 2.82Å; S71-T73 PolarHBondContact OG-OG1 3.37Å; T73-S75 VanDerWaalsContact C-N 3.32Å; T73-S75 PolarHBondContact O-N 2.73Å; T73-S76 PolarHBondContact O-N 3.2Å; T73-S76 PolarHBondContact O-OG 3.23Å; T73-V77 WeakPolarHBondContact O-CG2 3.41Å; T73-V77 PolarHBondContact O-N 3.17Å
74	H	92.2	Very high	88.4	Confident	122 Å²	122	84.8 Å²	84.8	57%	0.565	47%	0.471	S	S	*	.	H	α-helix	trans	-57.3	-44.3	-176.4	-178.2	58.8	0	0	0	112.3	S71 S76 V77 V78	S71-H74 PolarHBondContact OG-N 2.62Å; H74-S76 PolarHBondContact O-N 3.43Å; H74-V77 PolarHBondContact O-N 2.8Å; H74-V78 VanDerWaalsContact O-CG2 3.32Å; H74-V78 WeakPolarHBondContact O-CG2 3.29Å; H74-V78 PolarHBondContact O-N 3.34Å
75	S	89.4	Confident	89.3	Confident	87 Å²	87	84 Å²	84	61%	0.608	45%	0.451	S	S	*	.	H	α-helix	trans	-60.3	-44.5	178.2	50.9	0	0	0	0	112.7	T73 V78 L79	T73-S75 VanDerWaalsContact C-N 3.32Å; T73-S75 PolarHBondContact O-N 2.73Å; S75-V78 PolarHBondContact O-N 3.23Å; S75-L79 VanDerWaalsContact O-CB 3.29Å; S75-L79 WeakPolarHBondContact O-CB 3.4Å; S75-L79 PolarHBondContact O-N 3.47Å
76	S	90.3	Very high	90.3	Very high	53 Å²	53	79.1 Å²	79.1	37%	0.371	42%	0.416	S	S	.	.	H	α-helix	trans	-67	-37.1	177.8	54.2	0	0	0	0	112.6	T73 H74 L79 Q80	T73-S76 PolarHBondContact O-N 3.2Å; T73-S76 PolarHBondContact O-OG 3.23Å; H74-S76 PolarHBondContact O-N 3.43Å; S76-L79 PolarHBondContact O-N 3.3Å; S76-Q80 WeakPolarHBondContact O-CB 3.17Å; S76-Q80 VanDerWaalsContact O-CG 3.29Å; S76-Q80 WeakPolarHBondContact O-CG 3.46Å; S76-Q80 PolarHBondContact O-N 3.48Å
77	V	93.1	Very high	91.4	Very high	86 Å²	86	80.4 Å²	80.4	52%	0.521	42%	0.424	S	S	.	.	H	α-helix	trans	-68.5	-43.2	178.5	172.2	0	0	0	0	110.8	T73 H74 L79 Q80 G81	T73-V77 WeakPolarHBondContact O-CG2 3.41Å; T73-V77 PolarHBondContact O-N 3.17Å; H74-V77 PolarHBondContact O-N 2.8Å; V77-L79 VanDerWaalsContact C-N 3.31Å; V77-L79 PolarHBondContact O-N 2.92Å; V77-Q80 PolarHBondContact O-N 3.45Å; V77-G81 PolarHBondContact O-N 2.93Å
78	V	93.6	Very high	91.9	Very high	61 Å²	61	77.1 Å²	77.1	37%	0.37	42%	0.416	S	S	.	.	H	α-helix	trans	-60.7	-44.7	175	170.2	0	0	0	0	110.5	H74 S75 G81 F82	H74-V78 VanDerWaalsContact O-CG2 3.32Å; H74-V78 WeakPolarHBondContact O-CG2 3.29Å; H74-V78 PolarHBondContact O-N 3.34Å; S75-V78 PolarHBondContact O-N 3.23Å; V78-G81 PolarHBondContact O-N 2.88Å; V78-F82 HydrophobicContact CG1-CD2 3.85Å; V78-F82 HydrophobicContact CG1-CE2 3.83Å; V78-F82 WeakPolarHBondContact O-CD2 3.48Å; V78-F82 PolarHBondContact O-N 2.84Å
79	L	93.9	Very high	92.5	Very high	38 Å²	38	74.6 Å²	74.6	20%	0.199	42%	0.418	C	S	.	.	H	α-helix	trans	-63	-45.2	179.7	-172.6	61.2	0	0	0	112.1	S75 S76 V77 G81 F82 D83 M111 I152 Y153 A155	S75-L79 VanDerWaalsContact O-CB 3.29Å; S75-L79 WeakPolarHBondContact O-CB 3.4Å; S75-L79 PolarHBondContact O-N 3.47Å; S76-L79 PolarHBondContact O-N 3.3Å; V77-L79 VanDerWaalsContact C-N 3.31Å; V77-L79 PolarHBondContact O-N 2.92Å; L79-G81 VanDerWaalsContact C-N 3.31Å; L79-G81 PolarHBondContact O-N 3.37Å; L79-F82 PolarHBondContact O-N 2.9Å; L79-D83 PolarHBondContact O-N 2.89Å; L79-M111 HydrophobicContact CD1-CE 3.7Å; L79-I152 WeakPolarHBondContact CD1-O 3.29Å; L79-Y153 WeakPolarHBondContact CD1-O 3.46Å; L79-Y153 WeakPolarHBondContact CG-O 3.21Å; L79-A155 HydrophobicContact CD2-CB 3.85Å
80	Q	93.8	Very high	92.8	Very high	133 Å²	133	72.2 Å²	72.2	62%	0.621	41%	0.411	S	S	*	.	H	α-helix	trans	-59.4	-40.1	172.5	-76.1	173.5	-4.6	0	0	112.4	S76 V77 D83 Q84	S76-Q80 WeakPolarHBondContact O-CB 3.17Å; S76-Q80 VanDerWaalsContact O-CG 3.29Å; S76-Q80 WeakPolarHBondContact O-CG 3.46Å; S76-Q80 PolarHBondContact O-N 3.48Å; V77-Q80 PolarHBondContact O-N 3.45Å; Q80-D83 PolarHBondContact O-N 2.85Å; Q80-Q84 PolarHBondContact O-N 3.48Å
81	G	95.4	Very high	93.2	Very high	36 Å²	36	75 Å²	75	37%	0.371	42%	0.422	S	S	.	.	H	α-helix	trans	-60.8	-44.8	175	0	0	0	0	0	112.4	V77 V78 L79 D83 Q84 L85	V77-G81 PolarHBondContact O-N 2.93Å; V78-G81 PolarHBondContact O-N 2.88Å; L79-G81 VanDerWaalsContact C-N 3.31Å; L79-G81 PolarHBondContact O-N 3.37Å; G81-D83 VanDerWaalsContact C-N 3.35Å; G81-D83 PolarHBondContact O-N 3.15Å; G81-Q84 PolarHBondContact O-N 3.35Å; G81-L85 WeakPolarHBondContact O-CG 3.37Å; G81-L85 PolarHBondContact O-N 3.25Å
82	F	95.6	Very high	93.6	Very high	71 Å²	71	74.3 Å²	74.3	31%	0.311	42%	0.417	S	S	.	.	H	α-helix	trans	-65.8	-35.4	175.9	-87.2	-70.5	0	0	0	113.2	V78 L79 L85 R86 H108 M111 Y153	V78-F82 HydrophobicContact CG1-CD2 3.85Å; V78-F82 HydrophobicContact CG1-CE2 3.83Å; V78-F82 WeakPolarHBondContact O-CD2 3.48Å; V78-F82 PolarHBondContact O-N 2.84Å; L79-F82 PolarHBondContact O-N 2.9Å; F82-L85 HydrophobicContact CD1-CD1 4.4Å; F82-R86 WeakPolarHBondContact O-CB 3.34Å; F82-R86 PolarHBondContact O-N 3.1Å; F82-H108 AromaticContact CD1-ND1 3.85Å; F82-M111 HydrophobicContact CB-CE 4.34Å; F82-M111 HydrophobicContact CB-CG 4.47Å; F82-M111 HydrophobicContact CB-SD 4.24Å; F82-M111 HydrophobicContact CD1-CG 3.91Å; F82-M111 HydrophobicContact CD1-SD 4.08Å; F82-M111 HydrophobicContact CD2-SD 3.78Å; F82-M111 HydrophobicContact CE1-CG 4.29Å; F82-M111 HydrophobicContact CE1-SD 4.38Å; F82-M111 HydrophobicContact CE2-SD 4.1Å; F82-M111 HydrophobicContact CG-CE 4.47Å; F82-M111 HydrophobicContact CG-CG 4.11Å; F82-M111 HydrophobicContact CG-SD 3.77Å; F82-M111 HydrophobicContact CZ-SD 4.39Å; F82-Y153 HydrophobicContact CB-CD1 4.11Å; F82-Y153 HydrophobicContact CB-CE1 4.07Å; F82-Y153 WeakPolarHBondContact O-CE1 3.38Å
83	D	95.6	Very high	93.8	Very high	38 Å²	38	73.4 Å²	73.4	20%	0.203	41%	0.412	C	S	.	.	H	α-helix	trans	-65.5	-43.4	175	-167.3	42.6	0	0	0	111.3	L79 Q80 G81 L85 R86 V87 Y153	L79-D83 PolarHBondContact O-N 2.89Å; Q80-D83 PolarHBondContact O-N 2.85Å; G81-D83 VanDerWaalsContact C-N 3.35Å; G81-D83 PolarHBondContact O-N 3.15Å; D83-L85 PolarHBondContact O-N 3.47Å; D83-R86 WeakPolarHBondContact O-CB 3.32Å; D83-R86 PolarHBondContact O-N 3.43Å; D83-R86 IonicContact OD1-CZ 3.71Å; D83-R86 IonicContact OD1-NE 3.4Å; D83-R86 PolarHBondContact OD1-NE 2.9Å; D83-R86 IonicContact OD1-NH2 3.97Å; D83-R86 PolarHBondContact OD1-NH2 2.85Å; D83-V87 WeakPolarHBondContact O-CG2 3.24Å; D83-V87 PolarHBondContact O-N 3.09Å; D83-Y153 HydrophobicContact CB-CD1 4.35Å; D83-Y153 WeakPolarHBondContact OD1-CB 3.29Å
84	Q	95.8	Very high	94.1	Very high	101 Å²	101	71.3 Å²	71.3	47%	0.472	40%	0.399	S	S	.	.	H	α-helix	trans	-60.7	-46.6	175.3	-171	63.9	31.1	0	0	111.8	Q80 G81 R86 V87 E88	Q80-Q84 PolarHBondContact O-N 3.48Å; G81-Q84 PolarHBondContact O-N 3.35Å; Q84-R86 VanDerWaalsContact C-N 3.28Å; Q84-R86 PolarHBondContact O-N 2.94Å; Q84-V87 PolarHBondContact O-N 3.05Å; Q84-E88 PolarHBondContact NE2-OE1 3.43Å; Q84-E88 WeakPolarHBondContact O-CG 3.4Å; Q84-E88 PolarHBondContact O-N 3.47Å
85	L	96.3	Very high	94.3	Very high	50 Å²	50	67.4 Å²	67.4	26%	0.262	38%	0.384	S	S	.	.	H	α-helix	trans	-57.5	-42.7	176.1	-72.2	172.6	0	0	0	111.6	G81 F82 D83 E88 G89 L90 L91	G81-L85 WeakPolarHBondContact O-CG 3.37Å; G81-L85 PolarHBondContact O-N 3.25Å; F82-L85 HydrophobicContact CD1-CD1 4.4Å; D83-L85 PolarHBondContact O-N 3.47Å; L85-E88 PolarHBondContact O-N 2.9Å; L85-G89 PolarHBondContact O-N 3.02Å; L85-L90 HydrophobicContact CD2-CB 3.86Å; L85-L90 HydrophobicContact CD2-CD1 4.11Å; L85-L90 PolarHBondContact O-N 2.87Å; L85-L91 HydrophobicContact CD1-CD1 4.39Å
86	R	96.1	Very high	94.6	Very high	42 Å²	42	63.2 Å²	63.2	16%	0.158	36%	0.355	C	S	.	.	H	α-helix	trans	-62.8	-47.1	177.6	-179.8	-171.1	66.4	108.1	-10	111.7	F82 D83 Q84 E88 G89 P106 D150 Y153	F82-R86 WeakPolarHBondContact O-CB 3.34Å; F82-R86 PolarHBondContact O-N 3.1Å; D83-R86 WeakPolarHBondContact O-CB 3.32Å; D83-R86 PolarHBondContact O-N 3.43Å; D83-R86 IonicContact OD1-CZ 3.71Å; D83-R86 IonicContact OD1-NE 3.4Å; D83-R86 PolarHBondContact OD1-NE 2.9Å; D83-R86 IonicContact OD1-NH2 3.97Å; D83-R86 PolarHBondContact OD1-NH2 2.85Å; Q84-R86 VanDerWaalsContact C-N 3.28Å; Q84-R86 PolarHBondContact O-N 2.94Å; R86-E88 VanDerWaalsContact C-N 3.28Å; R86-E88 PolarHBondContact O-N 3.23Å; R86-G89 PolarHBondContact O-N 3.04Å; R86-P106 WeakPolarHBondContact CG-O 3.2Å; R86-D150 IonicContact CZ-OD1 3.68Å; R86-D150 IonicContact NH1-OD1 3.38Å; R86-D150 IonicContact NH2-OD1 2.68Å; R86-D150 PolarHBondContact NH2-OD1 2.95Å; R86-Y153 HydrophobicContact CB-CD1 4.22Å; R86-Y153 HydrophobicContact CB-CE1 3.81Å; R86-Y153 HydrophobicContact CG-CE1 4.28Å
87	V	94.1	Very high	94.9	Very high	101 Å²	101	61.2 Å²	61.2	61%	0.612	34%	0.34	S	S	*	.	H	α-helix	trans	-62.6	-36.8	179.7	171.3	0	0	0	0	111.4	D83 Q84 G89	D83-V87 WeakPolarHBondContact O-CG2 3.24Å; D83-V87 PolarHBondContact O-N 3.09Å; Q84-V87 PolarHBondContact O-N 3.05Å; V87-G89 VanDerWaalsContact C-N 3.26Å; V87-G89 PolarHBondContact O-N 3.37Å
88	E	95.1	Very high	95	Very high	110 Å²	110	57.1 Å²	57.1	51%	0.514	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-6.8	174.9	-67.1	176.5	-172.2	0	0	113.4	Q84 L85 R86 L90	Q84-E88 PolarHBondContact NE2-OE1 3.43Å; Q84-E88 WeakPolarHBondContact O-CG 3.4Å; Q84-E88 PolarHBondContact O-N 3.47Å; L85-E88 PolarHBondContact O-N 2.9Å; R86-E88 VanDerWaalsContact C-N 3.28Å; R86-E88 PolarHBondContact O-N 3.23Å; E88-L90 HydrophobicContact CB-CD1 4.07Å; E88-L90 HydrophobicContact CB-CG 3.89Å; E88-L90 PolarHBondContact O-N 2.92Å; E88-L90 WeakPolarHBondContact OE2-CD1 3.38Å
89	G	92.9	Very high	94.8	Very high	45 Å²	45	55.3 Å²	55.3	46%	0.464	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.7	18.4	-176.5	0	0	0	0	0	113.9	L85 R86 V87	L85-G89 PolarHBondContact O-N 3.02Å; R86-G89 PolarHBondContact O-N 3.04Å; V87-G89 VanDerWaalsContact C-N 3.26Å; V87-G89 PolarHBondContact O-N 3.37Å
90	L	93.9	Very high	94.6	Very high	83 Å²	83	58.5 Å²	58.5	44%	0.435	33%	0.326	S	S	.	.			trans	-84.7	133.1	-178.8	-64.6	179.4	0	0	0	110.4	L85 E88 C92 H108	L85-L90 HydrophobicContact CD2-CB 3.86Å; L85-L90 HydrophobicContact CD2-CD1 4.11Å; L85-L90 PolarHBondContact O-N 2.87Å; E88-L90 HydrophobicContact CB-CD1 4.07Å; E88-L90 HydrophobicContact CB-CG 3.89Å; E88-L90 PolarHBondContact O-N 2.92Å; E88-L90 WeakPolarHBondContact OE2-CD1 3.38Å; L90-C92 PolarHBondContact O-N 3.03Å; L90-H108 PolarHBondContact O-NE2 2.73Å; L90-H108 VanDerWaalsContact O-NE2 3.09Å
91	L	94.1	Very high	94.2	Very high	139 Å²	139	53.3 Å²	53.3	73%	0.728	31%	0.309	S	S	*	.	S	Bend	trans	62.9	4.1	177.1	-52.7	175.9	0	0	0	115.6	L85 D93 H108	L85-L91 HydrophobicContact CD1-CD1 4.39Å; L91-D93 PolarHBondContact O-N 2.95Å; L91-H108 VanDerWaalsContact C-CD2 3.47Å; L91-H108 PolarHBondContact O-CD2 3.2Å
92	C	95.1	Very high	93.9	Very high	35 Å²	35	57.9 Å²	57.9	24%	0.236	32%	0.324	C	S	.	.			trans	-60.5	119.6	171.2	-66.9	0	0	0	0	110.5	L90 P106 V107	L90-C92 PolarHBondContact O-N 3.03Å; C92-P106 HydrophobicContact CB-CB 3.94Å; C92-V107 WeakPolarHBondContact CA-O 3.5Å
93	D	94.6	Very high	93.8	Very high	65 Å²	65	58.1 Å²	58.1	35%	0.348	33%	0.327	S	S	.	.			trans	-112.6	6.1	-172.7	62.5	-13.6	0	0	0	112.8	L91 V107 H108 R109	L91-D93 PolarHBondContact O-N 2.95Å; D93-V107 PolarHBondContact N-O 3.42Å; D93-H108 VanDerWaalsContact OD1-CA 3.29Å; D93-H108 WeakPolarHBondContact OD1-CA 3.49Å; D93-R109 PolarHBondContact O-NE 3.24Å; D93-R109 WeakPolarHBondContact OD1-CG 3.28Å; D93-R109 PolarHBondContact OD1-N 3.42Å; D93-R109 WeakPolarHBondContact OD2-CB 3.46Å
94	V	95.9	Very high	93.7	Very high	2 Å²	2	60.5 Å²	60.5	1%	0.012	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	150.1	170.4	69	0	0	0	0	110.9	L96 V107 R109 F123 I135	V94-L96 HydrophobicContact CG2-CD2 4.5Å; V94-V107 HydrophobicContact CG1-CG2 3.49Å; V94-V107 VanDerWaalsContact CG1-CG2 3.49Å; V94-V107 PolarHBondContact N-O 3.48Å; V94-V107 PolarHBondContact O-N 3.21Å; V94-V107 VanDerWaalsContact O-O 3.08Å; V94-R109 HydrophobicContact CB-CG 3.78Å; V94-R109 HydrophobicContact CG1-CG 3.57Å; V94-F123 HydrophobicContact CG1-CZ 4.34Å; V94-I135 HydrophobicContact CG2-CD1 3.67Å; V94-I135 HydrophobicContact CG2-CG1 4.15Å
95	T	96.1	Very high	93.7	Very high	39 Å²	39	56.5 Å²	56.5	24%	0.239	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	127.2	171.7	-59.1	0	0	0	0	109.6	V104 F105 M133 C134 I135	T95-V104 HydrophobicContact CG2-CB 3.61Å; T95-V104 HydrophobicContact CG2-CG1 3.93Å; T95-F105 WeakPolarHBondContact CA-O 3.36Å; T95-M133 PolarHBondContact N-O 3.2Å; T95-C134 WeakPolarHBondContact O-CA 3.31Å; T95-I135 PolarHBondContact O-N 3.39Å
96	L	96.2	Very high	93.8	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	138.3	174.5	-58	-179.8	0	0	0	110	V94 F105 V107 M112 F119 I135 L137 L145 I149	V94-L96 HydrophobicContact CG2-CD2 4.5Å; L96-F105 HydrophobicContact CB-CB 4.46Å; L96-F105 PolarHBondContact N-O 2.59Å; L96-F105 PolarHBondContact O-N 3.34Å; L96-V107 HydrophobicContact CD1-CG2 3.88Å; L96-V107 HydrophobicContact CG-CG2 3.85Å; L96-M112 HydrophobicContact CD1-CE 4.04Å; L96-F119 HydrophobicContact CD1-CE1 3.92Å; L96-F119 HydrophobicContact CD1-CZ 3.74Å; L96-F119 HydrophobicContact CD2-CE1 4.13Å; L96-I135 HydrophobicContact CD2-CB 4.19Å; L96-L137 HydrophobicContact CB-CD1 4.36Å; L96-L137 HydrophobicContact CD1-CD1 4.25Å; L96-L137 HydrophobicContact CD2-CD1 4.31Å; L96-L145 HydrophobicContact CB-CD2 4.22Å; L96-L145 HydrophobicContact CD1-CD1 4.33Å; L96-I149 HydrophobicContact CD1-CD1 4.33Å
97	V	95.7	Very high	93.8	Very high	11 Å²	11	54.7 Å²	54.7	7%	0.067	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	128.3	176.7	-176.3	0	0	0	0	107.9	G101 V104 C134 I135 K136 L137	V97-G101 WeakPolarHBondContact CG1-O 3.26Å; V97-V104 HydrophobicContact CG2-CG1 3.95Å; V97-C134 VanDerWaalsContact CG2-SG 3.56Å; V97-I135 PolarHBondContact N-O 3.43Å; V97-K136 HydrophobicContact CB-CB 4.49Å; V97-K136 HydrophobicContact CB-CG 4.39Å; V97-K136 HydrophobicContact CG1-CD 4.41Å; V97-K136 HydrophobicContact CG1-CG 4.37Å; V97-K136 CarbonylContact O-C 3.58Å; V97-K136 WeakPolarHBondContact O-CA 3.28Å; V97-L137 PolarHBondContact O-N 2.85Å
98	P	94.8	Very high	93.9	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	160.7	178.5	32.8	-34.3	0	0	0	110.5	D100 G101 E103 F105 K136 V140 K142 L145	P98-D100 VanDerWaalsContact C-N 3.3Å; P98-D100 WeakPolarHBondContact CB-OD1 3.47Å; P98-D100 PolarHBondContact O-N 3.27Å; P98-G101 VanDerWaalsContact O-O 3.1Å; P98-E103 WeakPolarHBondContact CD-O 3.2Å; P98-F105 HydrophobicContact CG-CE2 4.23Å; P98-K136 WeakPolarHBondContact O-CE 3.33Å; P98-V140 WeakPolarHBondContact CB-O 3.45Å; P98-K142 HydrophobicContact CB-CB 4.35Å; P98-K142 HydrophobicContact CG-CB 4.01Å; P98-L145 HydrophobicContact CB-CD2 4Å
99	G	89.8	Confident	93.9	Very high	22 Å²	22	46.9 Å²	46.9	23%	0.227	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-32.2	-176.5	0	0	0	0	0	113.6	L137 V140	G99-L137 VanDerWaalsContact CA-O 3.31Å; G99-L137 WeakPolarHBondContact CA-O 2.84Å; G99-L137 PolarHBondContact N-O 3.27Å; G99-V140 PolarHBondContact N-O 3.3Å
100	D	89	Confident	94	Very high	105 Å²	105	48.2 Å²	48.2	56%	0.561	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	4.5	-169.9	69.5	-34.1	0	0	0	114.3	P98 N141 K142	P98-D100 VanDerWaalsContact C-N 3.3Å; P98-D100 WeakPolarHBondContact CB-OD1 3.47Å; P98-D100 PolarHBondContact O-N 3.27Å; D100-N141 HydrophobicContact CB-CB 4.48Å; D100-N141 VanDerWaalsContact OD1-CA 3.25Å; D100-N141 WeakPolarHBondContact OD1-CA 3.25Å; D100-N141 WeakPolarHBondContact OD2-CB 3.36Å; D100-K142 PolarHBondContact OD1-N 3.39Å
101	G	86.7	Confident	94.1	Very high	25 Å²	25	45.3 Å²	45.3	26%	0.258	27%	0.266	S	S	.	.			trans	-161.6	-171.2	179.9	0	0	0	0	0	113.2	V97 P98 K136	V97-G101 WeakPolarHBondContact CG1-O 3.26Å; P98-G101 VanDerWaalsContact O-O 3.1Å; G101-K136 PolarHBondContact O-NZ 3.1Å
102	D	88.6	Confident	94.1	Very high	132 Å²	132	38.7 Å²	38.7	71%	0.706	23%	0.232	S	C	*	.			trans	-119.9	15.5	179.3	-61.5	-39.1	0	0	0	111.9	V104 K136	D102-V104 PolarHBondContact O-N 3.04Å; D102-K136 IonicContact OD1-NZ 3.17Å; D102-K136 PolarHBondContact OD1-NZ 2.91Å
103	E	92.9	Very high	94.1	Very high	76 Å²	76	37.9 Å²	37.9	36%	0.355	23%	0.227	S	C	.	.			trans	-67.1	131.8	172.5	-171.3	161	141.7	0	0	110.3	P98 F105 K142	P98-E103 WeakPolarHBondContact CD-O 3.2Å; E103-F105 HydrophobicContact CB-CE2 4.11Å; E103-F105 HydrophobicContact CB-CZ 4.41Å; E103-F105 HydrophobicContact CG-CE1 4.49Å; E103-F105 HydrophobicContact CG-CE2 3.89Å; E103-F105 HydrophobicContact CG-CZ 3.8Å; E103-F105 WeakPolarHBondContact OE1-CZ 3.43Å; E103-K142 HydrophobicContact CB-CD 4.4Å; E103-K142 VanDerWaalsContact CD-CE 3.43Å; E103-K142 WeakPolarHBondContact OE1-CE 3.39Å; E103-K142 IonicContact OE1-NZ 3.82Å; E103-K142 VanDerWaalsContact OE2-CD 3.25Å; E103-K142 WeakPolarHBondContact OE2-CD 3.33Å; E103-K142 WeakPolarHBondContact OE2-CE 3.29Å; E103-K142 IonicContact OE2-NZ 2.58Å; E103-K142 PolarHBondContact OE2-NZ 3.2Å
104	V	94.3	Very high	94.1	Very high	87 Å²	87	39.2 Å²	39.2	53%	0.527	24%	0.242	S	C	.	.			trans	-103.5	134.6	-174.4	-71.2	0	0	0	0	110.7	T95 V97 D102	T95-V104 HydrophobicContact CG2-CB 3.61Å; T95-V104 HydrophobicContact CG2-CG1 3.93Å; V97-V104 HydrophobicContact CG2-CG1 3.95Å; D102-V104 PolarHBondContact O-N 3.04Å
105	F	96.5	Very high	94.1	Very high	17 Å²	17	41.1 Å²	41.1	8%	0.075	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	97.3	178	-61.6	-87.3	0	0	0	110.2	T95 L96 P98 E103 V107 K142 L145 K146 I149	T95-F105 WeakPolarHBondContact CA-O 3.36Å; L96-F105 HydrophobicContact CB-CB 4.46Å; L96-F105 PolarHBondContact N-O 2.59Å; L96-F105 PolarHBondContact O-N 3.34Å; P98-F105 HydrophobicContact CG-CE2 4.23Å; E103-F105 HydrophobicContact CB-CE2 4.11Å; E103-F105 HydrophobicContact CB-CZ 4.41Å; E103-F105 HydrophobicContact CG-CE1 4.49Å; E103-F105 HydrophobicContact CG-CE2 3.89Å; E103-F105 HydrophobicContact CG-CZ 3.8Å; E103-F105 WeakPolarHBondContact OE1-CZ 3.43Å; F105-V107 PolarHBondContact O-N 3.26Å; F105-K142 HydrophobicContact CZ-CG 4.24Å; F105-L145 HydrophobicContact CD2-CD2 3.84Å; F105-L145 HydrophobicContact CD2-CG 4.42Å; F105-L145 HydrophobicContact CE2-CD2 4.17Å; F105-K146 HydrophobicContact CE1-CB 3.93Å; F105-K146 HydrophobicContact CE1-CG 4.11Å; F105-K146 HydrophobicContact CZ-CB 4.16Å; F105-I149 HydrophobicContact CB-CD1 3.6Å; F105-I149 HydrophobicContact CD1-CD1 4.17Å; F105-I149 HydrophobicContact CG-CD1 3.91Å
106	P	96.5	Very high	94.1	Very high	55 Å²	55	39.4 Å²	39.4	36%	0.357	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	128.4	172.2	-18.6	32	0	0	0	110.6	R86 C92	R86-P106 WeakPolarHBondContact CG-O 3.2Å; C92-P106 HydrophobicContact CB-CB 3.94Å
107	V	97.3	Very high	94	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	172.8	-179.1	-60.2	0	0	0	0	111.6	C92 D93 V94 L96 F105 M112 I149 Y153	C92-V107 WeakPolarHBondContact CA-O 3.5Å; D93-V107 PolarHBondContact N-O 3.42Å; V94-V107 HydrophobicContact CG1-CG2 3.49Å; V94-V107 VanDerWaalsContact CG1-CG2 3.49Å; V94-V107 PolarHBondContact N-O 3.48Å; V94-V107 PolarHBondContact O-N 3.21Å; V94-V107 VanDerWaalsContact O-O 3.08Å; L96-V107 HydrophobicContact CD1-CG2 3.88Å; L96-V107 HydrophobicContact CG-CG2 3.85Å; F105-V107 PolarHBondContact O-N 3.26Å; V107-M112 HydrophobicContact CB-CG 4.11Å; V107-M112 HydrophobicContact CB-SD 4.23Å; V107-M112 HydrophobicContact CG1-SD 4.34Å; V107-M112 HydrophobicContact CG2-CG 3.74Å; V107-M112 HydrophobicContact CG2-SD 4.31Å; V107-I149 HydrophobicContact CG1-CD1 3.94Å; V107-I149 HydrophobicContact CG1-CG1 4.26Å; V107-I149 HydrophobicContact CG1-CG2 3.88Å; V107-Y153 HydrophobicContact CB-CE2 4.48Å; V107-Y153 HydrophobicContact CG1-CE2 4.4Å
108	H	96.8	Very high	93.9	Very high	11 Å²	11	46.6 Å²	46.6	5%	0.051	28%	0.281	C	S	.	.			trans	-101.1	122.1	176.2	-55.8	111.7	0	0	0	109.9	F82 L90 L91 D93 A110 M111 M112 Y153	F82-H108 AromaticContact CD1-ND1 3.85Å; L90-H108 PolarHBondContact O-NE2 2.73Å; L90-H108 VanDerWaalsContact O-NE2 3.09Å; L91-H108 VanDerWaalsContact C-CD2 3.47Å; L91-H108 PolarHBondContact O-CD2 3.2Å; D93-H108 VanDerWaalsContact OD1-CA 3.29Å; D93-H108 WeakPolarHBondContact OD1-CA 3.49Å; H108-A110 PolarHBondContact O-N 2.96Å; H108-M111 HydrophobicContact CB-CB 4.09Å; H108-M111 HydrophobicContact CB-CG 3.95Å; H108-M111 PolarHBondContact O-N 3Å; H108-M111 VanDerWaalsContact O-N 3.1Å; H108-M112 WeakPolarHBondContact O-CG 3.47Å; H108-M112 PolarHBondContact O-N 3.22Å; H108-M112 VanDerWaalsContact O-N 3.1Å; H108-Y153 WeakPolarHBondContact CB-OH 3.31Å; H108-Y153 PolarHBondContact N-OH 3.1Å; H108-Y153 AromaticContact ND1-CE1 3.54Å; H108-Y153 AromaticContact ND1-CZ 3.65Å; H108-Y153 PolarHBondContact ND1-OH 3.43Å
109	R	94.8	Very high	93.9	Very high	35 Å²	35	46.6 Å²	46.6	13%	0.132	28%	0.281	C	S	.	.	H	α-helix	trans	-52.7	-43.1	177.5	-72.5	172.3	167.2	-96.7	-6.4	111.7	D93 V94 M112 A113 F123 E129 Q130 L132	D93-R109 PolarHBondContact O-NE 3.24Å; D93-R109 WeakPolarHBondContact OD1-CG 3.28Å; D93-R109 PolarHBondContact OD1-N 3.42Å; D93-R109 WeakPolarHBondContact OD2-CB 3.46Å; V94-R109 HydrophobicContact CB-CG 3.78Å; V94-R109 HydrophobicContact CG1-CG 3.57Å; R109-M112 PolarHBondContact O-N 3.23Å; R109-A113 WeakPolarHBondContact O-CB 3.45Å; R109-A113 PolarHBondContact O-N 3.36Å; R109-F123 HydrophobicContact CB-CD2 3.76Å; R109-F123 HydrophobicContact CB-CE2 3.98Å; R109-F123 HydrophobicContact CB-CG 4.4Å; R109-F123 HydrophobicContact CG-CD2 3.94Å; R109-F123 HydrophobicContact CG-CE2 3.94Å; R109-F123 HydrophobicContact CG-CG 4.28Å; R109-F123 HydrophobicContact CG-CZ 4.28Å; R109-F123 VanDerWaalsContact NH1-CD1 3.27Å; R109-E129 PolarHBondContact NH2-O 2.58Å; R109-E129 VanDerWaalsContact NH2-O 3.08Å; R109-Q130 PolarHBondContact NH1-O 3.31Å; R109-Q130 PolarHBondContact NH2-O 2.97Å; R109-L132 PolarHBondContact NH2-O 3.46Å
110	A	94.4	Very high	94.1	Very high	73 Å²	73	50.7 Å²	50.7	60%	0.603	29%	0.293	S	S	*	.	H	α-helix	trans	-61.2	-44.2	179.2	0	0	0	0	0	112.7	H108 S114	H108-A110 PolarHBondContact O-N 2.96Å; A110-S114 VanDerWaalsContact O-CB 3.26Å; A110-S114 WeakPolarHBondContact O-CB 2.99Å; A110-S114 PolarHBondContact O-N 3.42Å; A110-S114 PolarHBondContact O-OG 3.22Å
111	M	95.3	Very high	94.3	Very high	22 Å²	22	48.3 Å²	48.3	11%	0.108	29%	0.288	C	S	.	.	H	α-helix	trans	-63.4	-50.3	177.3	-72.7	-60	-64.7	0	0	110.9	L79 F82 H108 A113 S114 A115 I152 Y153	L79-M111 HydrophobicContact CD1-CE 3.7Å; F82-M111 HydrophobicContact CB-CE 4.34Å; F82-M111 HydrophobicContact CB-CG 4.47Å; F82-M111 HydrophobicContact CB-SD 4.24Å; F82-M111 HydrophobicContact CD1-CG 3.91Å; F82-M111 HydrophobicContact CD1-SD 4.08Å; F82-M111 HydrophobicContact CD2-SD 3.78Å; F82-M111 HydrophobicContact CE1-CG 4.29Å; F82-M111 HydrophobicContact CE1-SD 4.38Å; F82-M111 HydrophobicContact CE2-SD 4.1Å; F82-M111 HydrophobicContact CG-CE 4.47Å; F82-M111 HydrophobicContact CG-CG 4.11Å; F82-M111 HydrophobicContact CG-SD 3.77Å; F82-M111 HydrophobicContact CZ-SD 4.39Å; H108-M111 HydrophobicContact CB-CB 4.09Å; H108-M111 HydrophobicContact CB-CG 3.95Å; H108-M111 PolarHBondContact O-N 3Å; H108-M111 VanDerWaalsContact O-N 3.1Å; M111-A113 PolarHBondContact O-N 3.4Å; M111-S114 PolarHBondContact O-N 3.49Å; M111-S114 PolarHBondContact O-OG 3.01Å; M111-A115 PolarHBondContact O-N 3.36Å; M111-I152 HydrophobicContact CB-CG2 4.42Å; M111-I152 HydrophobicContact CE-CG2 4.48Å; M111-Y153 HydrophobicContact CB-CE1 4.44Å; M111-Y153 HydrophobicContact CB-CE2 4.34Å; M111-Y153 HydrophobicContact CG-CE1 4.08Å
112	M	95.9	Very high	94.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-62.4	-45.8	-179.3	-59.1	-52.7	-65.4	0	0	111.8	L96 V107 H108 R109 S114 A115 S116 F119 F123 I149 I152 Y153	L96-M112 HydrophobicContact CD1-CE 4.04Å; V107-M112 HydrophobicContact CB-CG 4.11Å; V107-M112 HydrophobicContact CB-SD 4.23Å; V107-M112 HydrophobicContact CG1-SD 4.34Å; V107-M112 HydrophobicContact CG2-CG 3.74Å; V107-M112 HydrophobicContact CG2-SD 4.31Å; H108-M112 WeakPolarHBondContact O-CG 3.47Å; H108-M112 PolarHBondContact O-N 3.22Å; H108-M112 VanDerWaalsContact O-N 3.1Å; R109-M112 PolarHBondContact O-N 3.23Å; M112-S114 VanDerWaalsContact C-N 3.3Å; M112-S114 PolarHBondContact O-N 3.02Å; M112-A115 PolarHBondContact O-N 3.5Å; M112-S116 WeakPolarHBondContact O-CB 3.33Å; M112-S116 PolarHBondContact O-N 3Å; M112-F119 HydrophobicContact CB-CB 4.03Å; M112-F119 HydrophobicContact CB-CD2 3.88Å; M112-F119 HydrophobicContact CB-CG 3.92Å; M112-F119 HydrophobicContact CE-CD2 3.7Å; M112-F119 HydrophobicContact CE-CE2 3.24Å; M112-F119 HydrophobicContact CE-CZ 3.79Å; M112-F123 HydrophobicContact CB-CE2 4.01Å; M112-I149 HydrophobicContact CE-CG1 4.16Å; M112-I152 HydrophobicContact CE-CD1 3.38Å; M112-I152 HydrophobicContact SD-CD1 3.77Å; M112-I152 HydrophobicContact SD-CG2 4.18Å; M112-Y153 HydrophobicContact SD-CE2 4.21Å
113	A	95.2	Very high	94.9	Very high	18 Å²	18	42.3 Å²	42.3	15%	0.149	25%	0.249	C	C	.	.	H	α-helix	trans	-66.9	-28.6	177.3	0	0	0	0	0	113.3	R109 M111 A115 K120 F123	R109-A113 WeakPolarHBondContact O-CB 3.45Å; R109-A113 PolarHBondContact O-N 3.36Å; M111-A113 PolarHBondContact O-N 3.4Å; A113-A115 VanDerWaalsContact C-N 3.32Å; A113-K120 HydrophobicContact CB-CB 4.13Å; A113-F123 HydrophobicContact CB-CD2 4.2Å
114	S	94.4	Very high	94.7	Very high	93 Å²	93	43.5 Å²	43.5	65%	0.65	26%	0.261	S	S	*	.	H	α-helix	trans	-71.3	-30	175.5	77	0	0	0	0	112.8	A110 M111 M112	A110-S114 VanDerWaalsContact O-CB 3.26Å; A110-S114 WeakPolarHBondContact O-CB 2.99Å; A110-S114 PolarHBondContact O-N 3.42Å; A110-S114 PolarHBondContact O-OG 3.22Å; M111-S114 PolarHBondContact O-N 3.49Å; M111-S114 PolarHBondContact O-OG 3.01Å; M112-S114 VanDerWaalsContact C-N 3.3Å; M112-S114 PolarHBondContact O-N 3.02Å
115	A	94.2	Very high	94.2	Very high	42 Å²	42	41.9 Å²	41.9	35%	0.347	26%	0.262	S	S	.	.	H	α-helix	trans	-98.5	-12.3	-175	0	0	0	0	0	113.9	M111 M112 A113 I152 I176	M111-A115 PolarHBondContact O-N 3.36Å; M112-A115 PolarHBondContact O-N 3.5Å; A113-A115 VanDerWaalsContact C-N 3.32Å; A115-I152 HydrophobicContact CB-CB 4.43Å; A115-I152 HydrophobicContact CB-CD1 4.06Å; A115-I152 HydrophobicContact CB-CG1 3.76Å; A115-I152 HydrophobicContact CB-CG2 3.95Å; A115-I176 WeakPolarHBondContact O-CD1 3.29Å
116	S	96.4	Very high	93.4	Very high	3 Å²	3	44 Å²	44	2%	0.021	29%	0.29	C	S	.	.			trans	-143.9	122.6	-172.2	173.6	0	0	0	0	111.6	M112 Y118 F119 K120 L174	M112-S116 WeakPolarHBondContact O-CB 3.33Å; M112-S116 PolarHBondContact O-N 3Å; S116-Y118 PolarHBondContact O-N 3.2Å; S116-Y118 WeakPolarHBondContact OG-CB 3.43Å; S116-Y118 PolarHBondContact OG-N 2.93Å; S116-F119 PolarHBondContact O-N 3.39Å; S116-F119 WeakPolarHBondContact OG-CD2 3.44Å; S116-F119 PolarHBondContact OG-N 2.87Å; S116-F119 VanDerWaalsContact OG-N 3.15Å; S116-K120 WeakPolarHBondContact O-CB 3.47Å; S116-K120 PolarHBondContact O-N 3.48Å; S116-L174 PolarHBondContact OG-O 3.11Å
117	D	93.9	Very high	92.7	Very high	100 Å²	100	46.5 Å²	46.5	54%	0.535	30%	0.298	S	S	.	.	H	α-helix	trans	-65.8	-29	172.5	-74.9	-39.2	0	0	0	112.2	K120 A121	D117-K120 PolarHBondContact O-N 3.34Å; D117-A121 WeakPolarHBondContact O-CB 3.32Å; D117-A121 PolarHBondContact O-N 2.96Å
118	Y	94.6	Very high	92	Very high	62 Å²	62	54.5 Å²	54.5	24%	0.243	33%	0.333	C	S	.	.	H	α-helix	trans	-61.3	-52.5	172.9	175.9	-93	0	0	0	111.5	S116 K120 A121 M122 L137 F173 L174	S116-Y118 PolarHBondContact O-N 3.2Å; S116-Y118 WeakPolarHBondContact OG-CB 3.43Å; S116-Y118 PolarHBondContact OG-N 2.93Å; Y118-K120 VanDerWaalsContact C-N 3.33Å; Y118-K120 PolarHBondContact O-N 2.88Å; Y118-A121 PolarHBondContact O-N 2.87Å; Y118-M122 HydrophobicContact CD1-CE 4.27Å; Y118-M122 HydrophobicContact CE1-CE 3.28Å; Y118-M122 HydrophobicContact CE1-SD 4.49Å; Y118-M122 HydrophobicContact CE2-CE 4.48Å; Y118-M122 VanDerWaalsContact CZ-CE 3.41Å; Y118-M122 WeakPolarHBondContact O-CB 3.4Å; Y118-M122 PolarHBondContact O-N 3.45Å; Y118-M122 WeakPolarHBondContact OH-CE 3.33Å; Y118-L137 HydrophobicContact CE1-CD2 4.23Å; Y118-F173 HydrophobicContact CE1-CE1 4.18Å; Y118-F173 HydrophobicContact CE2-CE1 4.05Å; Y118-F173 HydrophobicContact CE2-CZ 4.33Å; Y118-F173 AromaticContact CZ-CE1 3.65Å; Y118-F173 WeakPolarHBondContact OH-CE1 3.43Å; Y118-L174 HydrophobicContact CD1-CD2 3.6Å; Y118-L174 HydrophobicContact CE1-CD2 3.68Å; Y118-L174 HydrophobicContact CG-CD2 4.45Å
119	F	95.2	Very high	91.4	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-67.5	-35.5	177.6	-72.8	-59.7	0	0	0	112.2	L96 M112 S116 M122 F123 L137 L174	L96-F119 HydrophobicContact CD1-CE1 3.92Å; L96-F119 HydrophobicContact CD1-CZ 3.74Å; L96-F119 HydrophobicContact CD2-CE1 4.13Å; M112-F119 HydrophobicContact CB-CB 4.03Å; M112-F119 HydrophobicContact CB-CD2 3.88Å; M112-F119 HydrophobicContact CB-CG 3.92Å; M112-F119 HydrophobicContact CE-CD2 3.7Å; M112-F119 HydrophobicContact CE-CE2 3.24Å; M112-F119 HydrophobicContact CE-CZ 3.79Å; S116-F119 PolarHBondContact O-N 3.39Å; S116-F119 WeakPolarHBondContact OG-CD2 3.44Å; S116-F119 PolarHBondContact OG-N 2.87Å; S116-F119 VanDerWaalsContact OG-N 3.15Å; F119-M122 HydrophobicContact CD1-SD 4.29Å; F119-M122 PolarHBondContact O-N 2.86Å; F119-F123 HydrophobicContact CB-CD2 4.25Å; F119-F123 HydrophobicContact CB-CE2 3.87Å; F119-F123 HydrophobicContact CB-CZ 4.34Å; F119-F123 HydrophobicContact CD1-CE1 4.35Å; F119-F123 HydrophobicContact CD1-CE2 4.04Å; F119-F123 AromaticContact CD1-CZ 3.67Å; F119-F123 HydrophobicContact CD1-CZ 3.67Å; F119-F123 HydrophobicContact CE1-CZ 4.41Å; F119-F123 HydrophobicContact CG-CE2 4.26Å; F119-F123 HydrophobicContact CG-CZ 4.35Å; F119-F123 WeakPolarHBondContact O-CB 3.43Å; F119-F123 WeakPolarHBondContact O-CD2 3.35Å; F119-F123 VanDerWaalsContact O-CG 3.24Å; F119-F123 WeakPolarHBondContact O-CG 3.4Å; F119-F123 PolarHBondContact O-N 3.48Å; F119-L137 HydrophobicContact CE1-CD1 4.17Å; F119-L137 HydrophobicContact CE1-CD2 4.43Å; F119-L137 HydrophobicContact CZ-CD1 4.02Å; F119-L174 HydrophobicContact CE1-CD2 4.25Å; F119-L174 HydrophobicContact CE2-CB 4.32Å; F119-L174 HydrophobicContact CE2-CD1 4Å; F119-L174 HydrophobicContact CE2-CD2 3.79Å; F119-L174 HydrophobicContact CE2-CG 4.26Å; F119-L174 HydrophobicContact CZ-CD1 4.08Å; F119-L174 HydrophobicContact CZ-CD2 3.55Å; F119-L174 HydrophobicContact CZ-CG 4.36Å
120	K	94.3	Very high	91	Very high	108 Å²	108	58.5 Å²	58.5	47%	0.47	35%	0.353	S	S	.	.	H	α-helix	trans	-58.6	-49.4	174.2	-171	177.1	176.7	-177.6	0	111.3	A113 S116 D117 Y118 F123 T124	A113-K120 HydrophobicContact CB-CB 4.13Å; S116-K120 WeakPolarHBondContact O-CB 3.47Å; S116-K120 PolarHBondContact O-N 3.48Å; D117-K120 PolarHBondContact O-N 3.34Å; Y118-K120 VanDerWaalsContact C-N 3.33Å; Y118-K120 PolarHBondContact O-N 2.88Å; K120-F123 PolarHBondContact O-N 3.4Å; K120-T124 WeakPolarHBondContact O-CB 3.25Å; K120-T124 PolarHBondContact O-N 3.49Å; K120-T124 PolarHBondContact O-OG1 3.04Å
121	A	93.2	Very high	90.6	Very high	56 Å²	56	61.5 Å²	61.5	46%	0.463	36%	0.358	S	S	.	.	H	α-helix	trans	-63.3	-43.3	176.4	0	0	0	0	0	111.6	D117 Y118 F123 G125	D117-A121 WeakPolarHBondContact O-CB 3.32Å; D117-A121 PolarHBondContact O-N 2.96Å; Y118-A121 PolarHBondContact O-N 2.87Å; A121-F123 PolarHBondContact O-N 2.86Å; A121-G125 WeakPolarHBondContact O-CA 3.43Å; A121-G125 PolarHBondContact O-N 2.94Å
122	M	92.7	Very high	90.4	Very high	15 Å²	15	63.6 Å²	63.6	7%	0.074	37%	0.37	C	S	.	.	H	α-helix	trans	-60.2	-42.7	178.2	-177.4	-177.2	-75	0	0	112.7	Y118 F119 E129 I135 L137	Y118-M122 HydrophobicContact CD1-CE 4.27Å; Y118-M122 HydrophobicContact CE1-CE 3.28Å; Y118-M122 HydrophobicContact CE1-SD 4.49Å; Y118-M122 HydrophobicContact CE2-CE 4.48Å; Y118-M122 VanDerWaalsContact CZ-CE 3.41Å; Y118-M122 WeakPolarHBondContact O-CB 3.4Å; Y118-M122 PolarHBondContact O-N 3.45Å; Y118-M122 WeakPolarHBondContact OH-CE 3.33Å; F119-M122 HydrophobicContact CD1-SD 4.29Å; F119-M122 PolarHBondContact O-N 2.86Å; M122-E129 HydrophobicContact CG-CB 3.62Å; M122-E129 HydrophobicContact CG-CG 4.27Å; M122-E129 HydrophobicContact SD-CB 4.06Å; M122-E129 HydrophobicContact SD-CG 4.35Å; M122-I135 HydrophobicContact SD-CD1 4.07Å; M122-I135 HydrophobicContact SD-CG2 4.05Å; M122-L137 HydrophobicContact CE-CD2 4.06Å
123	F	93.4	Very high	90	Very high	15 Å²	15	70.2 Å²	70.2	7%	0.066	40%	0.402	C	S	.	.	H	α-helix	trans	-89.5	-16.4	-174.1	-58.5	-24.9	0	0	0	114.4	V94 R109 M112 A113 F119 K120 A121 Q130 I135	V94-F123 HydrophobicContact CG1-CZ 4.34Å; R109-F123 HydrophobicContact CB-CD2 3.76Å; R109-F123 HydrophobicContact CB-CE2 3.98Å; R109-F123 HydrophobicContact CB-CG 4.4Å; R109-F123 HydrophobicContact CG-CD2 3.94Å; R109-F123 HydrophobicContact CG-CE2 3.94Å; R109-F123 HydrophobicContact CG-CG 4.28Å; R109-F123 HydrophobicContact CG-CZ 4.28Å; R109-F123 VanDerWaalsContact NH1-CD1 3.27Å; M112-F123 HydrophobicContact CB-CE2 4.01Å; A113-F123 HydrophobicContact CB-CD2 4.2Å; F119-F123 HydrophobicContact CB-CD2 4.25Å; F119-F123 HydrophobicContact CB-CE2 3.87Å; F119-F123 HydrophobicContact CB-CZ 4.34Å; F119-F123 HydrophobicContact CD1-CE1 4.35Å; F119-F123 HydrophobicContact CD1-CE2 4.04Å; F119-F123 AromaticContact CD1-CZ 3.67Å; F119-F123 HydrophobicContact CD1-CZ 3.67Å; F119-F123 HydrophobicContact CE1-CZ 4.41Å; F119-F123 HydrophobicContact CG-CE2 4.26Å; F119-F123 HydrophobicContact CG-CZ 4.35Å; F119-F123 WeakPolarHBondContact O-CB 3.43Å; F119-F123 WeakPolarHBondContact O-CD2 3.35Å; F119-F123 VanDerWaalsContact O-CG 3.24Å; F119-F123 WeakPolarHBondContact O-CG 3.4Å; F119-F123 PolarHBondContact O-N 3.48Å; K120-F123 PolarHBondContact O-N 3.4Å; A121-F123 PolarHBondContact O-N 2.86Å; F123-Q130 WeakPolarHBondContact O-CG 3.2Å; F123-I135 HydrophobicContact CD1-CD1 4.45Å; F123-I135 HydrophobicContact CE1-CD1 3.62Å; F123-I135 HydrophobicContact CZ-CD1 4.48Å
124	T	90	Very high	89.9	Confident	101 Å²	101	72.8 Å²	72.8	62%	0.62	42%	0.419	S	S	*	.	H	α-helix	trans	-123.6	-8.1	-176.3	68.5	0	0	0	0	114.1	K120	K120-T124 WeakPolarHBondContact O-CB 3.25Å; K120-T124 PolarHBondContact O-N 3.49Å; K120-T124 PolarHBondContact O-OG1 3.04Å
125	G	82.6	Confident	89.9	Confident	53 Å²	53	68.6 Å²	68.6	55%	0.546	39%	0.389	S	S	.	.	S	Bend	trans	-90.1	9.7	-173.1	0	0	0	0	0	115.7	A121 M127	A121-G125 WeakPolarHBondContact O-CA 3.43Å; A121-G125 PolarHBondContact O-N 2.94Å; G125-M127 VanDerWaalsContact C-N 3.3Å; G125-M127 PolarHBondContact O-N 3.25Å
126	G	80.4	Confident	89.9	Confident	63 Å²	63	70.6 Å²	70.6	65%	0.649	39%	0.39	S	S	*	.			trans	72.9	20.9	-178.1	0	0	0	0	0	114.3	Q130	G126-Q130 VanDerWaalsContact N-OE1 3.08Å
127	M	82.8	Confident	89.7	Confident	107 Å²	107	70.5 Å²	70.5	53%	0.527	39%	0.389	S	S	.	.			trans	-74.3	156	174.6	-60.6	-70.2	-80.6	0	0	110.2	G125 E129 Q130	G125-M127 VanDerWaalsContact C-N 3.3Å; G125-M127 PolarHBondContact O-N 3.25Å; M127-E129 WeakPolarHBondContact CB-OE2 3.38Å; M127-E129 PolarHBondContact O-N 2.85Å; M127-E129 VanDerWaalsContact O-N 3.17Å; M127-Q130 WeakPolarHBondContact O-CB 3.26Å; M127-Q130 PolarHBondContact O-N 3.32Å
128	K	81.1	Confident	89.4	Confident	168 Å²	168	73 Å²	73	73%	0.73	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-59.1	-32.9	-178.8	-174.2	-179.5	177.7	-175.8	0	112	Q130 D131	K128-Q130 PolarHBondContact O-N 3.35Å; K128-D131 PolarHBondContact O-N 3.04Å
129	E	85.1	Confident	88.9	Confident	60 Å²	60	71.1 Å²	71.1	28%	0.28	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-63.2	-20	178	-65.8	75.8	-168.2	0	0	113.1	R109 M122 M127 D131 L132 I135	R109-E129 PolarHBondContact NH2-O 2.58Å; R109-E129 VanDerWaalsContact NH2-O 3.08Å; M122-E129 HydrophobicContact CG-CB 3.62Å; M122-E129 HydrophobicContact CG-CG 4.27Å; M122-E129 HydrophobicContact SD-CB 4.06Å; M122-E129 HydrophobicContact SD-CG 4.35Å; M127-E129 WeakPolarHBondContact CB-OE2 3.38Å; M127-E129 PolarHBondContact O-N 2.85Å; M127-E129 VanDerWaalsContact O-N 3.17Å; E129-D131 PolarHBondContact O-N 3.43Å; E129-L132 PolarHBondContact O-N 2.96Å; E129-I135 HydrophobicContact CB-CD1 4.05Å; E129-I135 HydrophobicContact CB-CG1 4.39Å; E129-I135 HydrophobicContact CG-CG2 4.15Å
130	Q	85.4	Confident	88.8	Confident	70 Å²	70	71.3 Å²	71.3	33%	0.327	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-56.3	-39.2	176.7	178.6	172	-33.3	0	0	111.8	R109 F123 G126 M127 K128	R109-Q130 PolarHBondContact NH1-O 3.31Å; R109-Q130 PolarHBondContact NH2-O 2.97Å; F123-Q130 WeakPolarHBondContact O-CG 3.2Å; G126-Q130 VanDerWaalsContact N-OE1 3.08Å; M127-Q130 WeakPolarHBondContact O-CB 3.26Å; M127-Q130 PolarHBondContact O-N 3.32Å; K128-Q130 PolarHBondContact O-N 3.35Å
131	D	86.8	Confident	88.8	Confident	135 Å²	135	67.6 Å²	67.6	72%	0.722	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-98.3	-0.1	-176.1	-58.8	-43.1	0	0	0	113.3	K128 E129	K128-D131 PolarHBondContact O-N 3.04Å; E129-D131 PolarHBondContact O-N 3.43Å
132	L	90.3	Very high	88.9	Confident	67 Å²	67	69.1 Å²	69.1	35%	0.351	38%	0.379	S	S	.	.			trans	-86	132.2	-178.6	-65	-179	0	0	0	112.1	R109 E129 I135	R109-L132 PolarHBondContact NH2-O 3.46Å; E129-L132 PolarHBondContact O-N 2.96Å; L132-I135 HydrophobicContact CB-CG1 4.04Å
133	M	88.9	Confident	89	Confident	138 Å²	138	72.3 Å²	72.3	68%	0.68	40%	0.396	S	S	*	.	S	Bend	trans	-79.4	-20.1	172.5	-70.8	-66.6	170	0	0	113.1	T95	T95-M133 PolarHBondContact N-O 3.2Å
134	C	93.2	Very high	89.1	Confident	73 Å²	73	71.6 Å²	71.6	49%	0.493	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	122.9	178.8	-175.5	0	0	0	0	109.5	T95 V97	T95-C134 WeakPolarHBondContact O-CA 3.31Å; V97-C134 VanDerWaalsContact CG2-SG 3.56Å
135	I	93.9	Very high	89.4	Confident	5 Å²	5	66.8 Å²	66.8	3%	0.026	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	122.4	-174.1	-59.1	169.8	0	0	0	109	V94 T95 L96 V97 M122 F123 E129 L132 L137	V94-I135 HydrophobicContact CG2-CD1 3.67Å; V94-I135 HydrophobicContact CG2-CG1 4.15Å; T95-I135 PolarHBondContact O-N 3.39Å; L96-I135 HydrophobicContact CD2-CB 4.19Å; V97-I135 PolarHBondContact N-O 3.43Å; M122-I135 HydrophobicContact SD-CD1 4.07Å; M122-I135 HydrophobicContact SD-CG2 4.05Å; F123-I135 HydrophobicContact CD1-CD1 4.45Å; F123-I135 HydrophobicContact CE1-CD1 3.62Å; F123-I135 HydrophobicContact CZ-CD1 4.48Å; E129-I135 HydrophobicContact CB-CD1 4.05Å; E129-I135 HydrophobicContact CB-CG1 4.39Å; E129-I135 HydrophobicContact CG-CG2 4.15Å; L132-I135 HydrophobicContact CB-CG1 4.04Å; I135-L137 HydrophobicContact CG2-CD2 4.16Å
136	K	93.1	Very high	90	Very high	83 Å²	83	69 Å²	69	36%	0.361	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	124.3	175.5	-165.6	158	-172.7	155.2	0	110.6	V97 P98 G101 D102	V97-K136 HydrophobicContact CB-CB 4.49Å; V97-K136 HydrophobicContact CB-CG 4.39Å; V97-K136 HydrophobicContact CG1-CD 4.41Å; V97-K136 HydrophobicContact CG1-CG 4.37Å; V97-K136 CarbonylContact O-C 3.58Å; V97-K136 WeakPolarHBondContact O-CA 3.28Å; P98-K136 WeakPolarHBondContact O-CE 3.33Å; G101-K136 PolarHBondContact O-NZ 3.1Å; D102-K136 IonicContact OD1-NZ 3.17Å; D102-K136 PolarHBondContact OD1-NZ 2.91Å
137	L	93.5	Very high	90.8	Very high	2 Å²	2	67.9 Å²	67.9	1%	0.01	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	86.1	-176.8	-63.7	176.2	0	0	0	110.2	L96 V97 G99 Y118 F119 M122 I135 G139 V140 L145 L174	L96-L137 HydrophobicContact CB-CD1 4.36Å; L96-L137 HydrophobicContact CD1-CD1 4.25Å; L96-L137 HydrophobicContact CD2-CD1 4.31Å; V97-L137 PolarHBondContact O-N 2.85Å; G99-L137 VanDerWaalsContact CA-O 3.31Å; G99-L137 WeakPolarHBondContact CA-O 2.84Å; G99-L137 PolarHBondContact N-O 3.27Å; Y118-L137 HydrophobicContact CE1-CD2 4.23Å; F119-L137 HydrophobicContact CE1-CD1 4.17Å; F119-L137 HydrophobicContact CE1-CD2 4.43Å; F119-L137 HydrophobicContact CZ-CD1 4.02Å; M122-L137 HydrophobicContact CE-CD2 4.06Å; I135-L137 HydrophobicContact CG2-CD2 4.16Å; L137-G139 PolarHBondContact O-N 3.09Å; L137-V140 PolarHBondContact O-N 3.29Å; L137-L145 HydrophobicContact CD1-CD1 3.82Å; L137-L145 HydrophobicContact CD1-CD2 4.28Å; L137-L174 HydrophobicContact CD1-CD2 4.39Å
138	H	86.7	Confident	91.4	Very high	153 Å²	153	62.8 Å²	62.8	71%	0.708	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-12	-174.4	-69.2	-68.4	0	0	0	115.8
139	G	84.4	Confident	92.2	Very high	21 Å²	21	54.9 Å²	54.9	22%	0.216	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	8.1	178.8	0	0	0	0	0	115.2	L137	L137-G139 PolarHBondContact O-N 3.09Å
140	V	92.8	Very high	92.7	Very high	5 Å²	5	54.2 Å²	54.2	3%	0.03	27%	0.274	C	S	.	.			trans	-138.1	132.1	-177.7	-168.8	0	0	0	0	110.3	P98 G99 L137 L145 A170 F173 L174	P98-V140 WeakPolarHBondContact CB-O 3.45Å; G99-V140 PolarHBondContact N-O 3.3Å; L137-V140 PolarHBondContact O-N 3.29Å; V140-L145 HydrophobicContact CG1-CB 3.83Å; V140-A170 HydrophobicContact CG1-CB 3.41Å; V140-A170 VanDerWaalsContact CG1-CB 3.41Å; V140-F173 HydrophobicContact CG2-CB 4.1Å; V140-F173 HydrophobicContact CG2-CD1 3.39Å; V140-F173 HydrophobicContact CG2-CE1 4.06Å; V140-F173 HydrophobicContact CG2-CG 3.92Å; V140-L174 HydrophobicContact CG2-CD1 4.22Å; V140-L174 HydrophobicContact CG2-CD2 4.22Å; V140-L174 HydrophobicContact CG2-CG 4.03Å
141	N	94.3	Very high	93.2	Very high	30 Å²	30	52.1 Å²	52.1	16%	0.16	26%	0.264	C	S	.	.			trans	-84.6	168.6	176.7	73.3	23.3	0	0	0	112.9	D100 I143 G144 L145 D166	D100-N141 HydrophobicContact CB-CB 4.48Å; D100-N141 VanDerWaalsContact OD1-CA 3.25Å; D100-N141 WeakPolarHBondContact OD1-CA 3.25Å; D100-N141 WeakPolarHBondContact OD2-CB 3.36Å; N141-I143 VanDerWaalsContact C-N 3.35Å; N141-I143 PolarHBondContact O-N 2.73Å; N141-I143 PolarHBondContact OD1-N 3.2Å; N141-G144 PolarHBondContact OD1-N 3.4Å; N141-L145 VanDerWaalsContact O-CB 3.28Å; N141-L145 WeakPolarHBondContact O-CB 3.34Å; N141-L145 PolarHBondContact O-N 2.94Å; N141-D166 PolarHBondContact ND2-OD1 3.43Å
142	K	95.2	Very high	93.7	Very high	87 Å²	87	46.3 Å²	46.3	38%	0.378	23%	0.232	S	C	.	.	H	α-helix	trans	-54.9	-45.6	-178.9	173.8	-177.9	157.6	171.1	0	113.5	P98 D100 E103 F105 K146	P98-K142 HydrophobicContact CB-CB 4.35Å; P98-K142 HydrophobicContact CG-CB 4.01Å; D100-K142 PolarHBondContact OD1-N 3.39Å; E103-K142 HydrophobicContact CB-CD 4.4Å; E103-K142 VanDerWaalsContact CD-CE 3.43Å; E103-K142 WeakPolarHBondContact OE1-CE 3.39Å; E103-K142 IonicContact OE1-NZ 3.82Å; E103-K142 VanDerWaalsContact OE2-CD 3.25Å; E103-K142 WeakPolarHBondContact OE2-CD 3.33Å; E103-K142 WeakPolarHBondContact OE2-CE 3.29Å; E103-K142 IonicContact OE2-NZ 2.58Å; E103-K142 PolarHBondContact OE2-NZ 3.2Å; F105-K142 HydrophobicContact CZ-CG 4.24Å; K142-K146 WeakPolarHBondContact O-CB 3.34Å; K142-K146 PolarHBondContact O-N 3.43Å
143	I	94.9	Very high	93.9	Very high	83 Å²	83	43.1 Å²	43.1	43%	0.426	22%	0.216	S	C	.	.	H	α-helix	trans	-66.8	-50.8	-173.8	-63.1	173.6	0	0	0	109.8	N141 K146 K147 N163 D166	N141-I143 VanDerWaalsContact C-N 3.35Å; N141-I143 PolarHBondContact O-N 2.73Å; N141-I143 PolarHBondContact OD1-N 3.2Å; I143-K146 PolarHBondContact O-N 3.48Å; I143-K147 VanDerWaalsContact O-CG 3.31Å; I143-K147 WeakPolarHBondContact O-CG 3.2Å; I143-K147 PolarHBondContact O-N 3.43Å; I143-N163 HydrophobicContact CG2-CB 4.12Å; I143-D166 HydrophobicContact CB-CB 4.08Å; I143-D166 WeakPolarHBondContact CD1-OD2 3.33Å; I143-D166 HydrophobicContact CG2-CB 4.06Å
144	G	95.3	Very high	94.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-61.4	-47.6	178.5	0	0	0	0	0	111.8	N141 K146 K147 I148 D166	N141-G144 PolarHBondContact OD1-N 3.4Å; G144-K146 VanDerWaalsContact C-N 3.35Å; G144-K146 PolarHBondContact O-N 3.48Å; G144-K147 PolarHBondContact O-N 3.43Å; G144-I148 WeakPolarHBondContact O-CG1 3.42Å; G144-I148 PolarHBondContact O-N 2.98Å; G144-D166 WeakPolarHBondContact CA-O 3.48Å
145	L	96.1	Very high	94.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59	-46.1	179.2	-177.6	58.7	0	0	0	111.6	L96 P98 F105 L137 V140 N141 K147 I148 I149 L174	L96-L145 HydrophobicContact CB-CD2 4.22Å; L96-L145 HydrophobicContact CD1-CD1 4.33Å; P98-L145 HydrophobicContact CB-CD2 4Å; F105-L145 HydrophobicContact CD2-CD2 3.84Å; F105-L145 HydrophobicContact CD2-CG 4.42Å; F105-L145 HydrophobicContact CE2-CD2 4.17Å; L137-L145 HydrophobicContact CD1-CD1 3.82Å; L137-L145 HydrophobicContact CD1-CD2 4.28Å; V140-L145 HydrophobicContact CG1-CB 3.83Å; N141-L145 VanDerWaalsContact O-CB 3.28Å; N141-L145 WeakPolarHBondContact O-CB 3.34Å; N141-L145 PolarHBondContact O-N 2.94Å; L145-K147 PolarHBondContact O-N 3.42Å; L145-I148 PolarHBondContact O-N 3.32Å; L145-I149 HydrophobicContact CD1-CD1 3.93Å; L145-I149 HydrophobicContact CD1-CG1 4.24Å; L145-I149 HydrophobicContact CG-CD1 3.86Å; L145-I149 WeakPolarHBondContact O-CG1 3.39Å; L145-I149 PolarHBondContact O-N 2.98Å; L145-L174 HydrophobicContact CD1-CD1 4.15Å
146	K	95.6	Very high	94.2	Very high	100 Å²	100	45.9 Å²	45.9	44%	0.435	23%	0.231	S	C	.	.	H	α-helix	trans	-59.3	-46.5	177.2	-176.7	-179.1	176.3	-170.1	0	111.6	F105 K142 I143 G144 I148 I149 D150	F105-K146 HydrophobicContact CE1-CB 3.93Å; F105-K146 HydrophobicContact CE1-CG 4.11Å; F105-K146 HydrophobicContact CZ-CB 4.16Å; K142-K146 WeakPolarHBondContact O-CB 3.34Å; K142-K146 PolarHBondContact O-N 3.43Å; I143-K146 PolarHBondContact O-N 3.48Å; G144-K146 VanDerWaalsContact C-N 3.35Å; G144-K146 PolarHBondContact O-N 3.48Å; K146-I148 VanDerWaalsContact C-N 3.33Å; K146-I148 PolarHBondContact O-N 2.75Å; K146-I149 PolarHBondContact O-N 3.02Å; K146-D150 WeakPolarHBondContact O-CB 3.35Å; K146-D150 VanDerWaalsContact O-CG 3.29Å; K146-D150 PolarHBondContact O-N 3.46Å
147	K	96.6	Very high	94.3	Very high	39 Å²	39	43.9 Å²	43.9	17%	0.17	22%	0.224	C	C	.	.	H	α-helix	trans	-61.2	-40.4	178.9	-71.4	-73.7	-176	165.3	0	112.5	I143 G144 L145 F151 L157 S158 N163 T167	I143-K147 VanDerWaalsContact O-CG 3.31Å; I143-K147 WeakPolarHBondContact O-CG 3.2Å; I143-K147 PolarHBondContact O-N 3.43Å; G144-K147 PolarHBondContact O-N 3.43Å; L145-K147 PolarHBondContact O-N 3.42Å; K147-F151 WeakPolarHBondContact O-CB 3.37Å; K147-F151 PolarHBondContact O-N 2.95Å; K147-L157 HydrophobicContact CB-CD1 4.21Å; K147-L157 HydrophobicContact CD-CD1 4.39Å; K147-S158 PolarHBondContact NZ-O 3.32Å; K147-S158 PolarHBondContact NZ-OG 3Å; K147-N163 PolarHBondContact NZ-ND2 2.78Å; K147-T167 HydrophobicContact CB-CG2 4.18Å
148	I	97	Very high	94.3	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-65.7	-46	176.5	-65.6	-55.5	0	0	0	111.3	G144 L145 K146 F151 I152 A170 A171 L174 I176 V179	G144-I148 WeakPolarHBondContact O-CG1 3.42Å; G144-I148 PolarHBondContact O-N 2.98Å; L145-I148 PolarHBondContact O-N 3.32Å; K146-I148 VanDerWaalsContact C-N 3.33Å; K146-I148 PolarHBondContact O-N 2.75Å; I148-F151 PolarHBondContact O-N 3.28Å; I148-I152 HydrophobicContact CG2-CD1 3.8Å; I148-I152 HydrophobicContact CG2-CG1 4.43Å; I148-I152 VanDerWaalsContact O-CG1 3.29Å; I148-I152 WeakPolarHBondContact O-CG1 3.45Å; I148-I152 PolarHBondContact O-N 2.96Å; I148-A170 HydrophobicContact CD1-CB 4.4Å; I148-A170 HydrophobicContact CG1-CB 3.63Å; I148-A171 HydrophobicContact CD1-CB 3.84Å; I148-L174 HydrophobicContact CB-CD1 4.36Å; I148-L174 HydrophobicContact CG1-CD1 4.39Å; I148-L174 HydrophobicContact CG2-CD1 3.94Å; I148-I176 HydrophobicContact CD1-CB 4.44Å; I148-I176 HydrophobicContact CD1-CG1 4.3Å; I148-I176 HydrophobicContact CG2-CD1 4.27Å; I148-I176 HydrophobicContact CG2-CG1 3.78Å; I148-V179 HydrophobicContact CD1-CB 4.2Å; I148-V179 HydrophobicContact CD1-CG1 3.84Å; I148-V179 HydrophobicContact CD1-CG2 4.07Å
149	I	96.3	Very high	94.6	Very high	1 Å²	1	42 Å²	42	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-62.6	-49.9	177.8	-67.1	169.9	0	0	0	110	L96 F105 V107 M112 L145 K146 F151 I152 Y153	L96-I149 HydrophobicContact CD1-CD1 4.33Å; F105-I149 HydrophobicContact CB-CD1 3.6Å; F105-I149 HydrophobicContact CD1-CD1 4.17Å; F105-I149 HydrophobicContact CG-CD1 3.91Å; V107-I149 HydrophobicContact CG1-CD1 3.94Å; V107-I149 HydrophobicContact CG1-CG1 4.26Å; V107-I149 HydrophobicContact CG1-CG2 3.88Å; M112-I149 HydrophobicContact CE-CG1 4.16Å; L145-I149 HydrophobicContact CD1-CD1 3.93Å; L145-I149 HydrophobicContact CD1-CG1 4.24Å; L145-I149 HydrophobicContact CG-CD1 3.86Å; L145-I149 WeakPolarHBondContact O-CG1 3.39Å; L145-I149 PolarHBondContact O-N 2.98Å; K146-I149 PolarHBondContact O-N 3.02Å; I149-F151 PolarHBondContact O-N 3.5Å; I149-I152 PolarHBondContact O-N 3.08Å; I149-I152 VanDerWaalsContact O-N 3.1Å; I149-Y153 HydrophobicContact CG2-CD2 4.03Å; I149-Y153 HydrophobicContact CG2-CE2 4.22Å; I149-Y153 WeakPolarHBondContact O-CD2 3.48Å; I149-Y153 PolarHBondContact O-N 3.32Å; I149-Y153 VanDerWaalsContact O-N 3.09Å
150	D	95.6	Very high	94.9	Very high	47 Å²	47	44.1 Å²	44.1	25%	0.251	23%	0.232	S	C	.	.	H	α-helix	trans	-57.7	-39.9	178.2	-71	-18.9	0	0	0	110.8	R86 K146 Y153 T154	R86-D150 IonicContact CZ-OD1 3.68Å; R86-D150 IonicContact NH1-OD1 3.38Å; R86-D150 IonicContact NH2-OD1 2.68Å; R86-D150 PolarHBondContact NH2-OD1 2.95Å; K146-D150 WeakPolarHBondContact O-CB 3.35Å; K146-D150 VanDerWaalsContact O-CG 3.29Å; K146-D150 PolarHBondContact O-N 3.46Å; D150-Y153 PolarHBondContact O-N 3.26Å; D150-T154 VanDerWaalsContact O-CB 3.27Å; D150-T154 WeakPolarHBondContact O-CB 3.26Å; D150-T154 VanDerWaalsContact O-CG2 3.29Å; D150-T154 WeakPolarHBondContact O-CG2 3.25Å; D150-T154 PolarHBondContact O-N 3.43Å; D150-T154 PolarHBondContact O-OG1 2.89Å
151	F	96.8	Very high	94.5	Very high	26 Å²	26	48.6 Å²	48.6	11%	0.114	25%	0.253	C	S	.	.	H	α-helix	trans	-63.5	-47	174.2	171.9	-102.2	0	0	0	112.8	K147 I148 I149 Y153 T154 A155 K156 L157 I176 P178 V179 F182	K147-F151 WeakPolarHBondContact O-CB 3.37Å; K147-F151 PolarHBondContact O-N 2.95Å; I148-F151 PolarHBondContact O-N 3.28Å; I149-F151 PolarHBondContact O-N 3.5Å; F151-Y153 PolarHBondContact O-N 3.1Å; F151-T154 PolarHBondContact O-N 3.39Å; F151-A155 VanDerWaalsContact O-CA 3.27Å; F151-A155 WeakPolarHBondContact O-CA 3.3Å; F151-A155 PolarHBondContact O-N 3.33Å; F151-K156 WeakPolarHBondContact CA-O 3.39Å; F151-L157 HydrophobicContact CD2-CB 4.3Å; F151-I176 HydrophobicContact CD1-CG2 4.04Å; F151-I176 HydrophobicContact CE1-CG2 3.91Å; F151-P178 HydrophobicContact CE1-CB 4.3Å; F151-P178 HydrophobicContact CZ-CB 3.94Å; F151-V179 HydrophobicContact CB-CG2 4.23Å; F151-V179 HydrophobicContact CD1-CG2 3.28Å; F151-V179 HydrophobicContact CD2-CG2 4.18Å; F151-V179 HydrophobicContact CE1-CG2 3.59Å; F151-V179 HydrophobicContact CE2-CG2 4.45Å; F151-V179 HydrophobicContact CG-CG2 3.59Å; F151-V179 HydrophobicContact CZ-CG2 4.18Å; F151-F182 HydrophobicContact CD2-CE2 4.38Å; F151-F182 HydrophobicContact CE2-CD2 4.42Å; F151-F182 AromaticContact CE2-CE2 3.64Å; F151-F182 HydrophobicContact CE2-CE2 3.64Å; F151-F182 HydrophobicContact CE2-CZ 4.5Å; F151-F182 HydrophobicContact CZ-CE2 4.2Å
152	I	96.4	Very high	94.2	Very high	12 Å²	12	53.8 Å²	53.8	6%	0.062	28%	0.281	C	S	.	.	H	α-helix	trans	-58.4	-34.2	-179.8	-71.9	168.6	0	0	0	111.3	L79 M111 M112 A115 I148 I149 I176	L79-I152 WeakPolarHBondContact CD1-O 3.29Å; M111-I152 HydrophobicContact CB-CG2 4.42Å; M111-I152 HydrophobicContact CE-CG2 4.48Å; M112-I152 HydrophobicContact CE-CD1 3.38Å; M112-I152 HydrophobicContact SD-CD1 3.77Å; M112-I152 HydrophobicContact SD-CG2 4.18Å; A115-I152 HydrophobicContact CB-CB 4.43Å; A115-I152 HydrophobicContact CB-CD1 4.06Å; A115-I152 HydrophobicContact CB-CG1 3.76Å; A115-I152 HydrophobicContact CB-CG2 3.95Å; I148-I152 HydrophobicContact CG2-CD1 3.8Å; I148-I152 HydrophobicContact CG2-CG1 4.43Å; I148-I152 VanDerWaalsContact O-CG1 3.29Å; I148-I152 WeakPolarHBondContact O-CG1 3.45Å; I148-I152 PolarHBondContact O-N 2.96Å; I149-I152 PolarHBondContact O-N 3.08Å; I149-I152 VanDerWaalsContact O-N 3.1Å; I152-I176 HydrophobicContact CD1-CD1 4.09Å
153	Y	95.9	Very high	94	Very high	1 Å²	1	50.4 Å²	50.4	0%	0.004	27%	0.267	C	S	.	.	H	α-helix	trans	-95	-14.5	-177.7	-79.4	-93.6	0	0	0	114.9	L79 F82 D83 R86 V107 H108 M111 M112 I149 D150 F151	L79-Y153 WeakPolarHBondContact CD1-O 3.46Å; L79-Y153 WeakPolarHBondContact CG-O 3.21Å; F82-Y153 HydrophobicContact CB-CD1 4.11Å; F82-Y153 HydrophobicContact CB-CE1 4.07Å; F82-Y153 WeakPolarHBondContact O-CE1 3.38Å; D83-Y153 HydrophobicContact CB-CD1 4.35Å; D83-Y153 WeakPolarHBondContact OD1-CB 3.29Å; R86-Y153 HydrophobicContact CB-CD1 4.22Å; R86-Y153 HydrophobicContact CB-CE1 3.81Å; R86-Y153 HydrophobicContact CG-CE1 4.28Å; V107-Y153 HydrophobicContact CB-CE2 4.48Å; V107-Y153 HydrophobicContact CG1-CE2 4.4Å; H108-Y153 WeakPolarHBondContact CB-OH 3.31Å; H108-Y153 PolarHBondContact N-OH 3.1Å; H108-Y153 AromaticContact ND1-CE1 3.54Å; H108-Y153 AromaticContact ND1-CZ 3.65Å; H108-Y153 PolarHBondContact ND1-OH 3.43Å; M111-Y153 HydrophobicContact CB-CE1 4.44Å; M111-Y153 HydrophobicContact CB-CE2 4.34Å; M111-Y153 HydrophobicContact CG-CE1 4.08Å; M112-Y153 HydrophobicContact SD-CE2 4.21Å; I149-Y153 HydrophobicContact CG2-CD2 4.03Å; I149-Y153 HydrophobicContact CG2-CE2 4.22Å; I149-Y153 WeakPolarHBondContact O-CD2 3.48Å; I149-Y153 PolarHBondContact O-N 3.32Å; I149-Y153 VanDerWaalsContact O-N 3.09Å; D150-Y153 PolarHBondContact O-N 3.26Å; F151-Y153 PolarHBondContact O-N 3.1Å
154	T	94.4	Very high	93.9	Very high	49 Å²	49	46.6 Å²	46.6	30%	0.301	25%	0.248	S	C	.	.	H	α-helix	trans	-124.6	-12.7	-176	69.2	0	0	0	0	114.2	D150 F151 K156	D150-T154 VanDerWaalsContact O-CB 3.27Å; D150-T154 WeakPolarHBondContact O-CB 3.26Å; D150-T154 VanDerWaalsContact O-CG2 3.29Å; D150-T154 WeakPolarHBondContact O-CG2 3.25Å; D150-T154 PolarHBondContact O-N 3.43Å; D150-T154 PolarHBondContact O-OG1 2.89Å; F151-T154 PolarHBondContact O-N 3.39Å; T154-K156 PolarHBondContact O-N 3.27Å; T154-K156 PolarHBondContact OG1-N 2.7Å; T154-K156 PolarHBondContact OG1-O 2.87Å
155	A	93.6	Very high	93.6	Very high	62 Å²	62	51 Å²	51	51%	0.512	27%	0.268	S	S	.	.	S	Bend	trans	55.2	19.1	-167.8	0	0	0	0	0	114.1	L79 F151	L79-A155 HydrophobicContact CD2-CB 3.85Å; F151-A155 VanDerWaalsContact O-CA 3.27Å; F151-A155 WeakPolarHBondContact O-CA 3.3Å; F151-A155 PolarHBondContact O-N 3.33Å
156	K	93.6	Very high	93.5	Very high	162 Å²	162	52.5 Å²	52.5	70%	0.704	28%	0.276	S	S	*	.			trans	-117.7	143.7	179.8	-65.8	176.1	-176.4	178.8	0	110.3	F151 T154	F151-K156 WeakPolarHBondContact CA-O 3.39Å; T154-K156 PolarHBondContact O-N 3.27Å; T154-K156 PolarHBondContact OG1-N 2.7Å; T154-K156 PolarHBondContact OG1-O 2.87Å
157	L	95.4	Very high	93.5	Very high	42 Å²	42	47.7 Å²	47.7	22%	0.22	26%	0.255	C	S	.	.			trans	-137.4	131.7	176.9	-174.8	70.3	0	0	0	109.7	K147 F151 L159 T167 V179 F182	K147-L157 HydrophobicContact CB-CD1 4.21Å; K147-L157 HydrophobicContact CD-CD1 4.39Å; F151-L157 HydrophobicContact CD2-CB 4.3Å; L157-L159 HydrophobicContact CD2-CD1 3.83Å; L157-L159 HydrophobicContact CD2-CD2 3.86Å; L157-L159 HydrophobicContact CD2-CG 3.74Å; L157-L159 HydrophobicContact CG-CD2 4.12Å; L157-L159 HydrophobicContact CG-CG 3.97Å; L157-T167 HydrophobicContact CD1-CG2 4.04Å; L157-T167 HydrophobicContact CD2-CG2 4.41Å; L157-V179 HydrophobicContact CD2-CB 4.49Å; L157-V179 HydrophobicContact CD2-CG1 3.77Å; L157-V179 HydrophobicContact CD2-CG2 4.42Å; L157-F182 HydrophobicContact CB-CD2 4.25Å; L157-F182 HydrophobicContact CD2-CB 4.11Å; L157-F182 HydrophobicContact CD2-CD2 4.03Å
158	S	93.4	Very high	93.4	Very high	79 Å²	79	45.9 Å²	45.9	55%	0.552	25%	0.247	S	C	*	.			trans	-109.5	117.1	171.7	49.5	0	0	0	0	109.8	K147 N163	K147-S158 PolarHBondContact NZ-O 3.32Å; K147-S158 PolarHBondContact NZ-OG 3Å; S158-N163 PolarHBondContact O-ND2 3.02Å
159	L	93.4	Very high	93.3	Very high	36 Å²	36	49.6 Å²	49.6	19%	0.188	27%	0.265	C	S	.	.			trans	-112.6	142	-178.3	-68.9	175.3	0	0	0	111	L157 N163 L164 T167 F182 F186	L157-L159 HydrophobicContact CD2-CD1 3.83Å; L157-L159 HydrophobicContact CD2-CD2 3.86Å; L157-L159 HydrophobicContact CD2-CG 3.74Å; L157-L159 HydrophobicContact CG-CD2 4.12Å; L157-L159 HydrophobicContact CG-CG 3.97Å; L159-N163 WeakPolarHBondContact CA-OD1 3.4Å; L159-L164 HydrophobicContact CD1-CD1 4.47Å; L159-L164 HydrophobicContact CD2-CD1 4.25Å; L159-T167 HydrophobicContact CD2-CG2 3.87Å; L159-F182 HydrophobicContact CD1-CB 4.42Å; L159-F186 HydrophobicContact CB-CD2 4.16Å; L159-F186 HydrophobicContact CB-CE2 4.4Å; L159-F186 HydrophobicContact CB-CG 4.24Å; L159-F186 HydrophobicContact CD1-CB 4.01Å; L159-F186 HydrophobicContact CD1-CG 4.32Å
160	N	90.6	Very high	93.2	Very high	66 Å²	66	49.5 Å²	49.5	35%	0.353	27%	0.265	S	S	.	.			trans	-148.3	174.1	166	65.2	17.5	0	0	0	108.9	D162 N163 L164	N160-D162 PolarHBondContact O-N 3.12Å; N160-D162 WeakPolarHBondContact OD1-CB 3.47Å; N160-D162 PolarHBondContact OD1-N 3.17Å; N160-D162 VanDerWaalsContact OD1-N 3.14Å; N160-N163 PolarHBondContact N-OD1 3.27Å; N160-N163 PolarHBondContact O-N 3.06Å; N160-N163 PolarHBondContact O-OD1 3.25Å; N160-N163 PolarHBondContact OD1-N 3.5Å; N160-N163 PolarHBondContact OD1-ND2 2.99Å; N160-N163 PolarHBondContact OD1-OD1 3.28Å; N160-L164 VanDerWaalsContact O-CB 3.25Å; N160-L164 WeakPolarHBondContact O-CB 3.31Å; N160-L164 PolarHBondContact O-N 3.2Å
161	M	83.6	Confident	93.2	Very high	98 Å²	98	47.3 Å²	47.3	48%	0.483	25%	0.253	S	S	.	.	H	α-helix	trans	-62.4	-28.1	-179	-67.2	-58.6	-67.5	0	0	113.1	L164 F186	M161-L164 HydrophobicContact SD-CD2 4.38Å; M161-F186 HydrophobicContact SD-CE1 3.99Å
162	D	87.8	Confident	93.1	Very high	139 Å²	139	48.5 Å²	48.5	74%	0.743	26%	0.264	S	S	*	.	H	α-helix	trans	-72.8	-33.6	-178.5	-51.9	-43	0	0	0	112.9	N160	N160-D162 PolarHBondContact O-N 3.12Å; N160-D162 WeakPolarHBondContact OD1-CB 3.47Å; N160-D162 PolarHBondContact OD1-N 3.17Å; N160-D162 VanDerWaalsContact OD1-N 3.14Å
163	N	91.8	Very high	93	Very high	17 Å²	17	51.6 Å²	51.6	9%	0.091	28%	0.278	C	S	.	.	H	α-helix	trans	-107.3	-3.7	-176.5	68.6	35.5	0	0	0	114.1	I143 K147 S158 L159 N160 T167	I143-N163 HydrophobicContact CG2-CB 4.12Å; K147-N163 PolarHBondContact NZ-ND2 2.78Å; S158-N163 PolarHBondContact O-ND2 3.02Å; L159-N163 WeakPolarHBondContact CA-OD1 3.4Å; N160-N163 PolarHBondContact N-OD1 3.27Å; N160-N163 PolarHBondContact O-N 3.06Å; N160-N163 PolarHBondContact O-OD1 3.25Å; N160-N163 PolarHBondContact OD1-N 3.5Å; N160-N163 PolarHBondContact OD1-ND2 2.99Å; N160-N163 PolarHBondContact OD1-OD1 3.28Å; N163-T167 VanDerWaalsContact O-CB 3.3Å; N163-T167 WeakPolarHBondContact O-CB 3.27Å; N163-T167 PolarHBondContact O-N 2.79Å; N163-T167 PolarHBondContact O-OG1 2.93Å
164	L	91.8	Very high	93	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-63.4	-49.1	-173.2	178.5	63.6	0	0	0	111.9	L159 N160 M161 T167 L168 C183 F186 L187	L159-L164 HydrophobicContact CD1-CD1 4.47Å; L159-L164 HydrophobicContact CD2-CD1 4.25Å; N160-L164 VanDerWaalsContact O-CB 3.25Å; N160-L164 WeakPolarHBondContact O-CB 3.31Å; N160-L164 PolarHBondContact O-N 3.2Å; M161-L164 HydrophobicContact SD-CD2 4.38Å; L164-T167 PolarHBondContact O-N 3.21Å; L164-L168 HydrophobicContact CD1-CD1 4.44Å; L164-L168 WeakPolarHBondContact O-CB 3.27Å; L164-L168 PolarHBondContact O-N 2.96Å; L164-C183 HydrophobicContact CD1-CB 4.05Å; L164-F186 HydrophobicContact CD1-CD1 4.07Å; L164-F186 HydrophobicContact CD2-CD1 3.96Å; L164-F186 HydrophobicContact CD2-CE1 4.06Å; L164-L187 HydrophobicContact CD2-CD2 3.39Å; L164-L187 HydrophobicContact CD2-CG 3.93Å
165	Q	90.9	Very high	93	Very high	92 Å²	92	53.8 Å²	53.8	43%	0.43	28%	0.284	S	S	.	.	H	α-helix	trans	-62.3	-47.5	-176.2	-173.2	173.6	-14	0	0	111	T167 L168 E169	Q165-T167 VanDerWaalsContact C-N 3.34Å; Q165-T167 PolarHBondContact O-N 3.17Å; Q165-L168 PolarHBondContact O-N 2.61Å; Q165-E169 WeakPolarHBondContact O-CB 3.38Å; Q165-E169 PolarHBondContact O-N 2.92Å
166	D	93.6	Very high	93.1	Very high	32 Å²	32	51 Å²	51	17%	0.171	26%	0.261	C	S	.	.	H	α-helix	trans	-58.5	-45.5	176.8	-58.9	-31.4	0	0	0	112.1	N141 I143 G144 A170	N141-D166 PolarHBondContact ND2-OD1 3.43Å; I143-D166 HydrophobicContact CB-CB 4.08Å; I143-D166 WeakPolarHBondContact CD1-OD2 3.33Å; I143-D166 HydrophobicContact CG2-CB 4.06Å; G144-D166 WeakPolarHBondContact CA-O 3.48Å; D166-A170 VanDerWaalsContact O-CB 3.31Å; D166-A170 WeakPolarHBondContact O-CB 3.38Å; D166-A170 PolarHBondContact O-N 3.29Å
167	T	95.6	Very high	93.1	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-66.9	-39.9	-179.7	-56.2	0	0	0	0	111.3	K147 L157 L159 N163 L164 Q165 A170 A171 V179	K147-T167 HydrophobicContact CB-CG2 4.18Å; L157-T167 HydrophobicContact CD1-CG2 4.04Å; L157-T167 HydrophobicContact CD2-CG2 4.41Å; L159-T167 HydrophobicContact CD2-CG2 3.87Å; N163-T167 VanDerWaalsContact O-CB 3.3Å; N163-T167 WeakPolarHBondContact O-CB 3.27Å; N163-T167 PolarHBondContact O-N 2.79Å; N163-T167 PolarHBondContact O-OG1 2.93Å; L164-T167 PolarHBondContact O-N 3.21Å; Q165-T167 VanDerWaalsContact C-N 3.34Å; Q165-T167 PolarHBondContact O-N 3.17Å; T167-A170 PolarHBondContact O-N 3.35Å; T167-A171 VanDerWaalsContact O-CB 3.25Å; T167-A171 WeakPolarHBondContact O-CB 3.29Å; T167-A171 PolarHBondContact O-N 3.44Å; T167-V179 HydrophobicContact CG2-CG1 3.83Å
168	L	94.6	Very high	93.1	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-73.4	-40.4	-177	-158.5	157	0	0	0	111.2	L164 Q165 A171 S172 L180 C183 L187 I202 Y206 L208	L164-L168 HydrophobicContact CD1-CD1 4.44Å; L164-L168 WeakPolarHBondContact O-CB 3.27Å; L164-L168 PolarHBondContact O-N 2.96Å; Q165-L168 PolarHBondContact O-N 2.61Å; L168-A171 PolarHBondContact O-N 2.99Å; L168-S172 VanDerWaalsContact O-CB 3.26Å; L168-S172 WeakPolarHBondContact O-CB 3.38Å; L168-S172 PolarHBondContact O-N 3.31Å; L168-L180 HydrophobicContact CD2-CD2 4.31Å; L168-L180 HydrophobicContact CG-CD2 4.31Å; L168-C183 HydrophobicContact CD1-CB 3.73Å; L168-C183 HydrophobicContact CG-CB 4.14Å; L168-L187 HydrophobicContact CD1-CD1 4.09Å; L168-I202 HydrophobicContact CD1-CG2 4.17Å; L168-Y206 VanDerWaalsContact CD2-CB 3.47Å; L168-Y206 HydrophobicContact CD2-CD1 3.5Å; L168-Y206 VanDerWaalsContact CD2-CD1 3.5Å; L168-Y206 HydrophobicContact CD2-CD2 3.4Å; L168-Y206 VanDerWaalsContact CD2-CD2 3.4Å; L168-Y206 HydrophobicContact CD2-CE1 4Å; L168-Y206 HydrophobicContact CD2-CE2 3.92Å; L168-Y206 HydrophobicContact CD2-CG 3.16Å; L168-L208 HydrophobicContact CD1-CD1 3.83Å; L168-L208 HydrophobicContact CD2-CD1 4.36Å
169	E	93.8	Very high	93.2	Very high	78 Å²	78	45.8 Å²	45.8	36%	0.364	24%	0.237	S	C	.	.	H	α-helix	trans	-58.8	-48.9	170.7	-174.1	171.4	-171	0	0	111.2	Q165 A171 S172 F173 Y206	Q165-E169 WeakPolarHBondContact O-CB 3.38Å; Q165-E169 PolarHBondContact O-N 2.92Å; E169-A171 PolarHBondContact O-N 2.9Å; E169-S172 PolarHBondContact O-N 3.33Å; E169-F173 VanDerWaalsContact O-CB 3.26Å; E169-F173 WeakPolarHBondContact O-CB 3.44Å; E169-F173 PolarHBondContact O-N 3.17Å; E169-Y206 HydrophobicContact CB-CE1 4Å; E169-Y206 HydrophobicContact CG-CE1 4.41Å
170	A	95.5	Very high	93.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.2	-46.6	176.7	0	0	0	0	0	112.4	V140 I148 D166 T167 S172 F173 L174	V140-A170 HydrophobicContact CG1-CB 3.41Å; V140-A170 VanDerWaalsContact CG1-CB 3.41Å; I148-A170 HydrophobicContact CD1-CB 4.4Å; I148-A170 HydrophobicContact CG1-CB 3.63Å; D166-A170 VanDerWaalsContact O-CB 3.31Å; D166-A170 WeakPolarHBondContact O-CB 3.38Å; D166-A170 PolarHBondContact O-N 3.29Å; T167-A170 PolarHBondContact O-N 3.35Å; A170-S172 VanDerWaalsContact C-N 3.34Å; A170-S172 PolarHBondContact O-N 2.74Å; A170-F173 PolarHBondContact O-N 3.38Å; A170-L174 WeakPolarHBondContact O-CB 3.45Å; A170-L174 VanDerWaalsContact O-CG 3.28Å; A170-L174 WeakPolarHBondContact O-CG 3.46Å; A170-L174 PolarHBondContact O-N 3.28Å
171	A	95.6	Very high	93.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.2	-39.7	179.6	0	0	0	0	0	112.1	I148 T167 L168 E169 Q175 I176 V179 L180	I148-A171 HydrophobicContact CD1-CB 3.84Å; T167-A171 VanDerWaalsContact O-CB 3.25Å; T167-A171 WeakPolarHBondContact O-CB 3.29Å; T167-A171 PolarHBondContact O-N 3.44Å; L168-A171 PolarHBondContact O-N 2.99Å; E169-A171 PolarHBondContact O-N 2.9Å; A171-Q175 CarbonylContact O-C 3.55Å; A171-Q175 WeakPolarHBondContact O-CA 3.25Å; A171-Q175 PolarHBondContact O-N 2.93Å; A171-I176 PolarHBondContact O-N 3.14Å; A171-V179 HydrophobicContact CB-CB 3.91Å; A171-V179 HydrophobicContact CB-CG1 3.56Å; A171-L180 HydrophobicContact CB-CD2 3.69Å; A171-L180 HydrophobicContact CB-CG 3.93Å
172	S	94.4	Very high	93.9	Very high	52 Å²	52	45.5 Å²	45.5	36%	0.364	23%	0.233	S	C	.	.	H	α-helix	trans	-68.1	-47.6	177.6	-173.9	0	0	0	0	110.9	L168 E169 A170 Q175	L168-S172 VanDerWaalsContact O-CB 3.26Å; L168-S172 WeakPolarHBondContact O-CB 3.38Å; L168-S172 PolarHBondContact O-N 3.31Å; E169-S172 PolarHBondContact O-N 3.33Å; A170-S172 VanDerWaalsContact C-N 3.34Å; A170-S172 PolarHBondContact O-N 2.74Å; S172-Q175 PolarHBondContact O-N 2.96Å
173	F	94.4	Very high	94.2	Very high	77 Å²	77	38.9 Å²	38.9	34%	0.338	20%	0.198	S	C	.	.	H	α-helix	trans	-64.4	-45	-179.7	-174.7	-90.3	0	0	0	111.7	Y118 V140 E169 A170 Q175	Y118-F173 HydrophobicContact CE1-CE1 4.18Å; Y118-F173 HydrophobicContact CE2-CE1 4.05Å; Y118-F173 HydrophobicContact CE2-CZ 4.33Å; Y118-F173 AromaticContact CZ-CE1 3.65Å; Y118-F173 WeakPolarHBondContact OH-CE1 3.43Å; V140-F173 HydrophobicContact CG2-CB 4.1Å; V140-F173 HydrophobicContact CG2-CD1 3.39Å; V140-F173 HydrophobicContact CG2-CE1 4.06Å; V140-F173 HydrophobicContact CG2-CG 3.92Å; E169-F173 VanDerWaalsContact O-CB 3.26Å; E169-F173 WeakPolarHBondContact O-CB 3.44Å; E169-F173 PolarHBondContact O-N 3.17Å; A170-F173 PolarHBondContact O-N 3.38Å; F173-Q175 VanDerWaalsContact C-N 3.3Å; F173-Q175 PolarHBondContact O-N 3.05Å
174	L	95.4	Very high	94.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	5	-179	-57.7	174.2	0	0	0	113.4	S116 Y118 F119 L137 V140 L145 I148 A170 I176	S116-L174 PolarHBondContact OG-O 3.11Å; Y118-L174 HydrophobicContact CD1-CD2 3.6Å; Y118-L174 HydrophobicContact CE1-CD2 3.68Å; Y118-L174 HydrophobicContact CG-CD2 4.45Å; F119-L174 HydrophobicContact CE1-CD2 4.25Å; F119-L174 HydrophobicContact CE2-CB 4.32Å; F119-L174 HydrophobicContact CE2-CD1 4Å; F119-L174 HydrophobicContact CE2-CD2 3.79Å; F119-L174 HydrophobicContact CE2-CG 4.26Å; F119-L174 HydrophobicContact CZ-CD1 4.08Å; F119-L174 HydrophobicContact CZ-CD2 3.55Å; F119-L174 HydrophobicContact CZ-CG 4.36Å; L137-L174 HydrophobicContact CD1-CD2 4.39Å; V140-L174 HydrophobicContact CG2-CD1 4.22Å; V140-L174 HydrophobicContact CG2-CD2 4.22Å; V140-L174 HydrophobicContact CG2-CG 4.03Å; L145-L174 HydrophobicContact CD1-CD1 4.15Å; I148-L174 HydrophobicContact CB-CD1 4.36Å; I148-L174 HydrophobicContact CG1-CD1 4.39Å; I148-L174 HydrophobicContact CG2-CD1 3.94Å; A170-L174 WeakPolarHBondContact O-CB 3.45Å; A170-L174 VanDerWaalsContact O-CG 3.28Å; A170-L174 WeakPolarHBondContact O-CG 3.46Å; A170-L174 PolarHBondContact O-N 3.28Å; L174-I176 HydrophobicContact CB-CG1 4.11Å; L174-I176 PolarHBondContact O-N 2.63Å
175	Q	94.9	Very high	94.5	Very high	96 Å²	96	44.8 Å²	44.8	45%	0.449	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	42.4	176.3	-56	-179.1	3.7	0	0	114.4	A171 S172 F173 L177	A171-Q175 CarbonylContact O-C 3.55Å; A171-Q175 WeakPolarHBondContact O-CA 3.25Å; A171-Q175 PolarHBondContact O-N 2.93Å; S172-Q175 PolarHBondContact O-N 2.96Å; F173-Q175 VanDerWaalsContact C-N 3.3Å; F173-Q175 PolarHBondContact O-N 3.05Å; Q175-L177 PolarHBondContact O-N 2.9Å
176	I	95.6	Very high	94.7	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.01	22%	0.223	C	C	.	.			trans	-92.3	83.5	177	-48.6	-65.3	0	0	0	109.7	A115 I148 F151 I152 A171 L174 V179 L180	A115-I176 WeakPolarHBondContact O-CD1 3.29Å; I148-I176 HydrophobicContact CD1-CB 4.44Å; I148-I176 HydrophobicContact CD1-CG1 4.3Å; I148-I176 HydrophobicContact CG2-CD1 4.27Å; I148-I176 HydrophobicContact CG2-CG1 3.78Å; F151-I176 HydrophobicContact CD1-CG2 4.04Å; F151-I176 HydrophobicContact CE1-CG2 3.91Å; I152-I176 HydrophobicContact CD1-CD1 4.09Å; A171-I176 PolarHBondContact O-N 3.14Å; L174-I176 HydrophobicContact CB-CG1 4.11Å; L174-I176 PolarHBondContact O-N 2.63Å; I176-V179 HydrophobicContact CB-CB 4.35Å; I176-V179 HydrophobicContact CB-CG2 4.37Å; I176-V179 HydrophobicContact CG2-CB 3.96Å; I176-V179 HydrophobicContact CG2-CG2 3.56Å; I176-V179 PolarHBondContact O-N 3.04Å; I176-L180 PolarHBondContact O-N 2.81Å
177	L	92.3	Very high	94.8	Very high	111 Å²	111	41.9 Å²	41.9	58%	0.581	22%	0.216	S	C	*	.	H	α-helix	trans	-55.7	-42.8	-174	-57	-179	0	0	0	114.7	Q175 V179 L180 D181	Q175-L177 PolarHBondContact O-N 2.9Å; L177-V179 VanDerWaalsContact C-N 3.28Å; L177-V179 PolarHBondContact O-N 3.17Å; L177-L180 HydrophobicContact CD2-CD1 4.2Å; L177-L180 WeakPolarHBondContact O-CB 3.48Å; L177-L180 PolarHBondContact O-N 2.88Å; L177-L180 VanDerWaalsContact O-N 3.12Å; L177-D181 PolarHBondContact O-N 3.24Å
178	P	95.3	Very high	94.8	Very high	63 Å²	63	44.1 Å²	44.1	41%	0.409	23%	0.227	S	C	.	.	H	α-helix	trans	-61.3	-34.7	179.4	-25.1	35.7	0	0	0	113.6	F151 D181 F182	F151-P178 HydrophobicContact CE1-CB 4.3Å; F151-P178 HydrophobicContact CZ-CB 3.94Å; P178-D181 PolarHBondContact O-N 2.71Å; P178-F182 VanDerWaalsContact O-CG 3.28Å; P178-F182 WeakPolarHBondContact O-CG 3.31Å; P178-F182 PolarHBondContact O-N 3.25Å
179	V	95.5	Very high	94.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-69.5	-40.7	176.6	173.1	0	0	0	0	110.4	I148 F151 L157 T167 A171 I176 L177 D181 F182 C183	I148-V179 HydrophobicContact CD1-CB 4.2Å; I148-V179 HydrophobicContact CD1-CG1 3.84Å; I148-V179 HydrophobicContact CD1-CG2 4.07Å; F151-V179 HydrophobicContact CB-CG2 4.23Å; F151-V179 HydrophobicContact CD1-CG2 3.28Å; F151-V179 HydrophobicContact CD2-CG2 4.18Å; F151-V179 HydrophobicContact CE1-CG2 3.59Å; F151-V179 HydrophobicContact CE2-CG2 4.45Å; F151-V179 HydrophobicContact CG-CG2 3.59Å; F151-V179 HydrophobicContact CZ-CG2 4.18Å; L157-V179 HydrophobicContact CD2-CB 4.49Å; L157-V179 HydrophobicContact CD2-CG1 3.77Å; L157-V179 HydrophobicContact CD2-CG2 4.42Å; T167-V179 HydrophobicContact CG2-CG1 3.83Å; A171-V179 HydrophobicContact CB-CB 3.91Å; A171-V179 HydrophobicContact CB-CG1 3.56Å; I176-V179 HydrophobicContact CB-CB 4.35Å; I176-V179 HydrophobicContact CB-CG2 4.37Å; I176-V179 HydrophobicContact CG2-CB 3.96Å; I176-V179 HydrophobicContact CG2-CG2 3.56Å; I176-V179 PolarHBondContact O-N 3.04Å; L177-V179 VanDerWaalsContact C-N 3.28Å; L177-V179 PolarHBondContact O-N 3.17Å; V179-D181 VanDerWaalsContact C-N 3.27Å; V179-D181 PolarHBondContact O-N 2.91Å; V179-F182 PolarHBondContact O-N 2.92Å; V179-C183 PolarHBondContact O-N 3.48Å; V179-C183 PolarHBondContact O-SG 3.02Å; V179-C183 VanDerWaalsContact O-SG 3.32Å
180	L	93.8	Very high	94.7	Very high	22 Å²	22	46.5 Å²	46.5	12%	0.115	26%	0.258	C	S	.	.	H	α-helix	trans	-58.5	-41.8	173.2	-67.2	175.4	0	0	0	111.2	L168 A171 I176 L177 C183 K184	L168-L180 HydrophobicContact CD2-CD2 4.31Å; L168-L180 HydrophobicContact CG-CD2 4.31Å; A171-L180 HydrophobicContact CB-CD2 3.69Å; A171-L180 HydrophobicContact CB-CG 3.93Å; I176-L180 PolarHBondContact O-N 2.81Å; L177-L180 HydrophobicContact CD2-CD1 4.2Å; L177-L180 WeakPolarHBondContact O-CB 3.48Å; L177-L180 PolarHBondContact O-N 2.88Å; L177-L180 VanDerWaalsContact O-N 3.12Å; L180-C183 WeakPolarHBondContact O-CB 3.43Å; L180-C183 PolarHBondContact O-N 3.03Å; L180-K184 VanDerWaalsContact O-CG 3.31Å; L180-K184 WeakPolarHBondContact O-CG 3.4Å; L180-K184 PolarHBondContact O-N 3.49Å
181	D	94.3	Very high	94.6	Very high	75 Å²	75	47.3 Å²	47.3	40%	0.401	26%	0.263	S	S	.	.	H	α-helix	trans	-64.7	-40.6	177.4	-68.4	-23.7	0	0	0	112.2	L177 P178 V179 C183 K184 V185	L177-D181 PolarHBondContact O-N 3.24Å; P178-D181 PolarHBondContact O-N 2.71Å; V179-D181 VanDerWaalsContact C-N 3.27Å; V179-D181 PolarHBondContact O-N 2.91Å; D181-C183 PolarHBondContact O-N 3.34Å; D181-K184 WeakPolarHBondContact O-CB 3.17Å; D181-K184 PolarHBondContact O-N 3.35Å; D181-K184 IonicContact OD1-NZ 3.21Å; D181-K184 PolarHBondContact OD1-NZ 3.32Å; D181-V185 WeakPolarHBondContact O-CG2 3.25Å; D181-V185 PolarHBondContact O-N 2.74Å
182	F	95.3	Very high	94.6	Very high	97 Å²	97	49 Å²	49	43%	0.425	27%	0.274	S	S	.	.	H	α-helix	trans	-62.8	-41.4	173.1	-61.8	-19.5	0	0	0	112.4	F151 L157 L159 P178 V179 K184 V185 F186	F151-F182 HydrophobicContact CD2-CE2 4.38Å; F151-F182 HydrophobicContact CE2-CD2 4.42Å; F151-F182 AromaticContact CE2-CE2 3.64Å; F151-F182 HydrophobicContact CE2-CE2 3.64Å; F151-F182 HydrophobicContact CE2-CZ 4.5Å; F151-F182 HydrophobicContact CZ-CE2 4.2Å; L157-F182 HydrophobicContact CB-CD2 4.25Å; L157-F182 HydrophobicContact CD2-CB 4.11Å; L157-F182 HydrophobicContact CD2-CD2 4.03Å; L159-F182 HydrophobicContact CD1-CB 4.42Å; P178-F182 VanDerWaalsContact O-CG 3.28Å; P178-F182 WeakPolarHBondContact O-CG 3.31Å; P178-F182 PolarHBondContact O-N 3.25Å; V179-F182 PolarHBondContact O-N 2.92Å; F182-K184 VanDerWaalsContact C-N 3.34Å; F182-K184 PolarHBondContact O-N 3.39Å; F182-V185 PolarHBondContact O-N 2.92Å; F182-F186 WeakPolarHBondContact O-CB 3.21Å; F182-F186 PolarHBondContact O-N 3.42Å
183	C	94.8	Very high	94.6	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-61.7	-40.6	174.3	-69.3	0	0	0	0	111.9	L164 L168 V179 L180 D181 F186 L187	L164-C183 HydrophobicContact CD1-CB 4.05Å; L168-C183 HydrophobicContact CD1-CB 3.73Å; L168-C183 HydrophobicContact CG-CB 4.14Å; V179-C183 PolarHBondContact O-N 3.48Å; V179-C183 PolarHBondContact O-SG 3.02Å; V179-C183 VanDerWaalsContact O-SG 3.32Å; L180-C183 WeakPolarHBondContact O-CB 3.43Å; L180-C183 PolarHBondContact O-N 3.03Å; D181-C183 PolarHBondContact O-N 3.34Å; C183-F186 PolarHBondContact O-N 3.04Å; C183-L187 WeakPolarHBondContact O-CB 3.1Å; C183-L187 VanDerWaalsContact O-CG 3.31Å; C183-L187 WeakPolarHBondContact O-CG 3.49Å; C183-L187 PolarHBondContact O-N 3.22Å
184	K	94.9	Very high	94.4	Very high	44 Å²	44	53.3 Å²	53.3	19%	0.191	29%	0.292	C	S	.	.	H	α-helix	trans	-61.4	-47.7	175.3	-67.6	169.8	-162.5	163	0	111.5	L180 D181 F182 F186 L187 I188 L208 V211	L180-K184 VanDerWaalsContact O-CG 3.31Å; L180-K184 WeakPolarHBondContact O-CG 3.4Å; L180-K184 PolarHBondContact O-N 3.49Å; D181-K184 WeakPolarHBondContact O-CB 3.17Å; D181-K184 PolarHBondContact O-N 3.35Å; D181-K184 IonicContact OD1-NZ 3.21Å; D181-K184 PolarHBondContact OD1-NZ 3.32Å; F182-K184 VanDerWaalsContact C-N 3.34Å; F182-K184 PolarHBondContact O-N 3.39Å; K184-F186 VanDerWaalsContact C-N 3.34Å; K184-F186 PolarHBondContact O-N 3.28Å; K184-L187 PolarHBondContact O-N 2.8Å; K184-I188 WeakPolarHBondContact O-CB 3.41Å; K184-I188 VanDerWaalsContact O-CG1 3.32Å; K184-I188 WeakPolarHBondContact O-CG1 3.31Å; K184-I188 PolarHBondContact O-N 3.04Å; K184-L208 HydrophobicContact CG-CD2 4.28Å; K184-V211 HydrophobicContact CB-CG2 3.82Å; K184-V211 HydrophobicContact CG-CG2 3.83Å
185	V	94.9	Very high	94.3	Very high	99 Å²	99	55 Å²	55	60%	0.6	30%	0.301	S	S	*	.	H	α-helix	trans	-60.2	-46.3	178.4	172.2	0	0	0	0	110.5	D181 F182 I188 S189	D181-V185 WeakPolarHBondContact O-CG2 3.25Å; D181-V185 PolarHBondContact O-N 2.74Å; F182-V185 PolarHBondContact O-N 2.92Å; V185-I188 PolarHBondContact O-N 2.86Å; V185-S189 WeakPolarHBondContact O-CB 3.28Å; V185-S189 PolarHBondContact O-N 3.15Å; V185-S189 PolarHBondContact O-OG 2.98Å
186	F	94.8	Very high	94.3	Very high	62 Å²	62	50.5 Å²	50.5	27%	0.272	28%	0.279	S	S	.	.	H	α-helix	trans	-58.2	-50.2	176.8	-178.2	-97.8	0	0	0	111.4	L159 M161 L164 F182 C183 K184 I188 S189 G190	L159-F186 HydrophobicContact CB-CD2 4.16Å; L159-F186 HydrophobicContact CB-CE2 4.4Å; L159-F186 HydrophobicContact CB-CG 4.24Å; L159-F186 HydrophobicContact CD1-CB 4.01Å; L159-F186 HydrophobicContact CD1-CG 4.32Å; M161-F186 HydrophobicContact SD-CE1 3.99Å; L164-F186 HydrophobicContact CD1-CD1 4.07Å; L164-F186 HydrophobicContact CD2-CD1 3.96Å; L164-F186 HydrophobicContact CD2-CE1 4.06Å; F182-F186 WeakPolarHBondContact O-CB 3.21Å; F182-F186 PolarHBondContact O-N 3.42Å; C183-F186 PolarHBondContact O-N 3.04Å; K184-F186 VanDerWaalsContact C-N 3.34Å; K184-F186 PolarHBondContact O-N 3.28Å; F186-I188 PolarHBondContact O-N 3.21Å; F186-S189 PolarHBondContact O-N 2.81Å; F186-S189 PolarHBondContact O-OG 3.48Å; F186-G190 PolarHBondContact O-N 3.46Å
187	L	94.8	Very high	94.2	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-58.5	-49.3	178.3	-77.7	172.6	0	0	0	112.4	L164 L168 C183 K184 S189 G190 V191 V199 I202 L208 V211	L164-L187 HydrophobicContact CD2-CD2 3.39Å; L164-L187 HydrophobicContact CD2-CG 3.93Å; L168-L187 HydrophobicContact CD1-CD1 4.09Å; C183-L187 WeakPolarHBondContact O-CB 3.1Å; C183-L187 VanDerWaalsContact O-CG 3.31Å; C183-L187 WeakPolarHBondContact O-CG 3.49Å; C183-L187 PolarHBondContact O-N 3.22Å; K184-L187 PolarHBondContact O-N 2.8Å; L187-S189 VanDerWaalsContact C-N 3.33Å; L187-S189 PolarHBondContact O-N 3.22Å; L187-G190 PolarHBondContact O-N 2.78Å; L187-V191 WeakPolarHBondContact O-CG2 3.34Å; L187-V191 PolarHBondContact O-N 3.27Å; L187-V199 HydrophobicContact CB-CG1 4.2Å; L187-V199 HydrophobicContact CD2-CB 4.45Å; L187-V199 HydrophobicContact CD2-CG1 3.87Å; L187-V199 HydrophobicContact CD2-CG2 4.05Å; L187-I202 HydrophobicContact CD1-CG2 4.08Å; L187-L208 HydrophobicContact CD1-CD1 3.83Å; L187-V211 HydrophobicContact CB-CG1 3.96Å; L187-V211 HydrophobicContact CB-CG2 4.45Å; L187-V211 HydrophobicContact CD1-CG1 4.26Å; L187-V211 HydrophobicContact CD1-CG2 4.49Å
188	I	95.8	Very high	94.2	Very high	46 Å²	46	49 Å²	49	24%	0.236	27%	0.27	C	S	.	.	H	α-helix	trans	-61.3	-43	-179.8	-71.1	167.8	0	0	0	110.8	K184 V185 F186 G190 V211 Y214	K184-I188 WeakPolarHBondContact O-CB 3.41Å; K184-I188 VanDerWaalsContact O-CG1 3.32Å; K184-I188 WeakPolarHBondContact O-CG1 3.31Å; K184-I188 PolarHBondContact O-N 3.04Å; V185-I188 PolarHBondContact O-N 2.86Å; F186-I188 PolarHBondContact O-N 3.21Å; I188-G190 VanDerWaalsContact C-N 3.26Å; I188-G190 PolarHBondContact O-N 2.91Å; I188-V211 HydrophobicContact CD1-CG2 4.22Å; I188-V211 HydrophobicContact CG1-CB 4.48Å; I188-V211 HydrophobicContact CG1-CG1 4.45Å; I188-V211 HydrophobicContact CG1-CG2 4.11Å; I188-Y214 HydrophobicContact CG1-CG 4.3Å; I188-Y214 HydrophobicContact CG2-CD1 4.18Å; I188-Y214 HydrophobicContact CG2-CD2 3.81Å; I188-Y214 HydrophobicContact CG2-CE1 4.2Å; I188-Y214 HydrophobicContact CG2-CE2 3.8Å; I188-Y214 HydrophobicContact CG2-CG 4Å
189	S	94.3	Very high	94.1	Very high	93 Å²	93	46 Å²	46	65%	0.65	25%	0.251	S	S	*	.	H	α-helix	trans	-69.2	-23.8	179.6	69.9	0	0	0	0	113.8	V185 F186 L187	V185-S189 WeakPolarHBondContact O-CB 3.28Å; V185-S189 PolarHBondContact O-N 3.15Å; V185-S189 PolarHBondContact O-OG 2.98Å; F186-S189 PolarHBondContact O-N 2.81Å; F186-S189 PolarHBondContact O-OG 3.48Å; L187-S189 VanDerWaalsContact C-N 3.33Å; L187-S189 PolarHBondContact O-N 3.22Å
190	G	91.8	Very high	94.1	Very high	35 Å²	35	46.1 Å²	46.1	36%	0.361	25%	0.252	S	S	.	.	H	α-helix	trans	-99	-0.2	-176.2	0	0	0	0	0	115.3	F186 L187 I188 S192 N195	F186-G190 PolarHBondContact O-N 3.46Å; L187-G190 PolarHBondContact O-N 2.78Å; I188-G190 VanDerWaalsContact C-N 3.26Å; I188-G190 PolarHBondContact O-N 2.91Å; G190-S192 PolarHBondContact O-N 3.05Å; G190-N195 PolarHBondContact O-ND2 3.12Å; G190-N195 PolarHBondContact O-OD1 2.82Å
191	V	94.8	Very high	94	Very high	18 Å²	18	51.5 Å²	51.5	11%	0.109	27%	0.271	C	S	.	.			trans	-64.2	123.9	-178.8	-178.5	0	0	0	0	110.8	L187 N195 C196 V199 Y214 V215 F218	L187-V191 WeakPolarHBondContact O-CG2 3.34Å; L187-V191 PolarHBondContact O-N 3.27Å; V191-N195 WeakPolarHBondContact CA-OD1 3.35Å; V191-C196 HydrophobicContact CG1-CB 3.82Å; V191-V199 HydrophobicContact CG2-CG1 4.03Å; V191-Y214 HydrophobicContact CB-CD1 4.46Å; V191-Y214 HydrophobicContact CB-CE1 3.95Å; V191-Y214 HydrophobicContact CG1-CE1 4.42Å; V191-Y214 HydrophobicContact CG2-CD1 3.94Å; V191-Y214 HydrophobicContact CG2-CE1 3.87Å; V191-V215 HydrophobicContact CG2-CG2 4.27Å; V191-F218 HydrophobicContact CG1-CB 4.3Å; V191-F218 HydrophobicContact CG1-CD1 3.71Å; V191-F218 HydrophobicContact CG1-CD2 4.02Å; V191-F218 HydrophobicContact CG1-CE1 3.99Å; V191-F218 HydrophobicContact CG1-CE2 4.27Å; V191-F218 HydrophobicContact CG1-CG 3.74Å; V191-F218 HydrophobicContact CG1-CZ 4.26Å
192	S	94.9	Very high	93.9	Very high	34 Å²	34	48.5 Å²	48.5	24%	0.238	26%	0.255	C	S	.	.			trans	-132.5	172.2	175.8	80.6	0	0	0	0	111	G190 E194 N195 C196	G190-S192 PolarHBondContact O-N 3.05Å; S192-E194 PolarHBondContact O-N 3.22Å; S192-E194 PolarHBondContact OG-N 3.26Å; S192-N195 PolarHBondContact N-OD1 3.29Å; S192-N195 PolarHBondContact O-N 3.01Å; S192-N195 PolarHBondContact O-OD1 3.09Å; S192-N195 PolarHBondContact OG-N 3.04Å; S192-C196 WeakPolarHBondContact O-CB 3.46Å; S192-C196 PolarHBondContact O-N 3.23Å
193	L	94.1	Very high	93.8	Very high	58 Å²	58	43.9 Å²	43.9	30%	0.304	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-29.5	174.3	-74.6	173.8	0	0	0	113	F218 N222 A225 L226	L193-F218 HydrophobicContact CD2-CE1 4.3Å; L193-N222 HydrophobicContact CD2-CB 3.81Å; L193-A225 HydrophobicContact CD1-CB 3.85Å; L193-A225 HydrophobicContact CD2-CB 4Å; L193-L226 HydrophobicContact CD2-CB 4.49Å
194	E	91.4	Very high	93.7	Very high	163 Å²	163	49 Å²	49	76%	0.762	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-31.2	-175.7	-63.1	144.5	-180	0	0	112.1	S192	S192-E194 PolarHBondContact O-N 3.22Å; S192-E194 PolarHBondContact OG-N 3.26Å
195	N	92.4	Very high	93.5	Very high	35 Å²	35	51 Å²	51	19%	0.187	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-6.9	-173.2	73.2	16.8	0	0	0	114.6	G190 V191 S192 V197 E198 V199	G190-N195 PolarHBondContact O-ND2 3.12Å; G190-N195 PolarHBondContact O-OD1 2.82Å; V191-N195 WeakPolarHBondContact CA-OD1 3.35Å; S192-N195 PolarHBondContact N-OD1 3.29Å; S192-N195 PolarHBondContact O-N 3.01Å; S192-N195 PolarHBondContact O-OD1 3.09Å; S192-N195 PolarHBondContact OG-N 3.04Å; N195-V197 VanDerWaalsContact C-N 3.25Å; N195-V197 PolarHBondContact O-N 3.43Å; N195-V197 VanDerWaalsContact O-N 3.15Å; N195-E198 WeakPolarHBondContact O-CB 3.5Å; N195-E198 PolarHBondContact O-N 2.96Å; N195-V199 HydrophobicContact CB-CG2 4.42Å; N195-V199 WeakPolarHBondContact O-CG2 3.48Å; N195-V199 PolarHBondContact O-N 2.79Å
196	C	94.9	Very high	93.2	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.007	26%	0.257	C	S	.	.	H	α-helix	trans	-58.2	-34.2	-173	61.2	0	0	0	0	114	V191 S192 G200 V215 F218	V191-C196 HydrophobicContact CG1-CB 3.82Å; S192-C196 WeakPolarHBondContact O-CB 3.46Å; S192-C196 PolarHBondContact O-N 3.23Å; C196-G200 PolarHBondContact O-N 2.61Å; C196-V215 WeakPolarHBondContact O-CG1 3.38Å; C196-F218 HydrophobicContact CB-CD1 3.89Å; C196-F218 HydrophobicContact CB-CE1 3.95Å
197	V	94.2	Very high	93	Very high	15 Å²	15	51.4 Å²	51.4	9%	0.091	28%	0.277	C	S	.	.	H	α-helix	trans	-65.6	-44.4	176.5	-177.7	0	0	0	0	110.6	N195 G200 R201 L226 K234 L235	N195-V197 VanDerWaalsContact C-N 3.25Å; N195-V197 PolarHBondContact O-N 3.43Å; N195-V197 VanDerWaalsContact O-N 3.15Å; V197-G200 PolarHBondContact O-N 3.02Å; V197-R201 PolarHBondContact O-N 3.04Å; V197-L226 HydrophobicContact CG2-CD1 4.47Å; V197-K234 HydrophobicContact CG1-CB 3.89Å; V197-L235 HydrophobicContact CB-CD2 4.44Å; V197-L235 HydrophobicContact CG1-CD2 4.09Å; V197-L235 HydrophobicContact CG1-CG 4.43Å; V197-L235 HydrophobicContact CG2-CD2 3.94Å; V197-L235 HydrophobicContact CG2-CG 4.23Å
198	E	91.3	Very high	93	Very high	66 Å²	66	51.8 Å²	51.8	31%	0.308	28%	0.279	S	S	.	.	H	α-helix	trans	-69.7	-45.3	-179.5	-177	50.4	-144.3	0	0	111.6	N195 G200 R201 I202	N195-E198 WeakPolarHBondContact O-CB 3.5Å; N195-E198 PolarHBondContact O-N 2.96Å; E198-G200 PolarHBondContact O-N 2.78Å; E198-R201 WeakPolarHBondContact O-CA 3.46Å; E198-R201 WeakPolarHBondContact O-CB 3.32Å; E198-R201 PolarHBondContact O-N 3.4Å; E198-R201 IonicContact OE1-CZ 2.73Å; E198-R201 IonicContact OE1-NE 3.33Å; E198-R201 PolarHBondContact OE1-NE 3Å; E198-R201 VanDerWaalsContact OE1-NE 3.13Å; E198-R201 IonicContact OE1-NH2 3.37Å; E198-R201 PolarHBondContact OE1-NH2 3Å; E198-R201 IonicContact OE2-CZ 3.38Å; E198-R201 IonicContact OE2-NE 3.12Å; E198-R201 PolarHBondContact OE2-NE 3.5Å; E198-R201 IonicContact OE2-NH2 3.2Å; E198-R201 PolarHBondContact OE2-NH2 3.49Å; E198-R201 VanDerWaalsContact OE2-NH2 3.11Å; E198-I202 HydrophobicContact CG-CD1 4.44Å; E198-I202 WeakPolarHBondContact O-CG1 3.41Å; E198-I202 PolarHBondContact O-N 3.35Å
199	V	93.8	Very high	92.9	Very high	2 Å²	2	54.8 Å²	54.8	1%	0.012	30%	0.3	C	S	.	.	H	α-helix	trans	-58.6	-39.2	173.3	174.8	0	0	0	0	110.9	L187 V191 N195 R201 I202 A203 V211 V215	L187-V199 HydrophobicContact CB-CG1 4.2Å; L187-V199 HydrophobicContact CD2-CB 4.45Å; L187-V199 HydrophobicContact CD2-CG1 3.87Å; L187-V199 HydrophobicContact CD2-CG2 4.05Å; V191-V199 HydrophobicContact CG2-CG1 4.03Å; N195-V199 HydrophobicContact CB-CG2 4.42Å; N195-V199 WeakPolarHBondContact O-CG2 3.48Å; N195-V199 PolarHBondContact O-N 2.79Å; V199-R201 PolarHBondContact O-N 2.93Å; V199-I202 PolarHBondContact O-N 2.96Å; V199-A203 WeakPolarHBondContact O-CB 3.36Å; V199-A203 PolarHBondContact O-N 3.31Å; V199-V211 HydrophobicContact CG1-CG1 3.85Å; V199-V215 HydrophobicContact CB-CG2 4.37Å; V199-V215 HydrophobicContact CG1-CG2 3.77Å
200	G	94.2	Very high	92.9	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.01	30%	0.296	C	S	.	.	H	α-helix	trans	-63.3	-37	173.2	0	0	0	0	0	113.6	C196 V197 E198 A203 N204 R239	C196-G200 PolarHBondContact O-N 2.61Å; V197-G200 PolarHBondContact O-N 3.02Å; E198-G200 PolarHBondContact O-N 2.78Å; G200-A203 PolarHBondContact O-N 2.72Å; G200-N204 PolarHBondContact O-N 2.83Å; G200-R239 PolarHBondContact O-NH2 2.83Å
201	R	92.8	Very high	93.1	Very high	135 Å²	135	54.5 Å²	54.5	51%	0.509	28%	0.279	S	S	.	.	H	α-helix	trans	-66.5	-44.8	175.2	-176.1	177.9	72.5	110	-7.2	111.3	V197 E198 V199 N204 T205	V197-R201 PolarHBondContact O-N 3.04Å; E198-R201 WeakPolarHBondContact O-CA 3.46Å; E198-R201 WeakPolarHBondContact O-CB 3.32Å; E198-R201 PolarHBondContact O-N 3.4Å; E198-R201 IonicContact OE1-CZ 2.73Å; E198-R201 IonicContact OE1-NE 3.33Å; E198-R201 PolarHBondContact OE1-NE 3Å; E198-R201 VanDerWaalsContact OE1-NE 3.13Å; E198-R201 IonicContact OE1-NH2 3.37Å; E198-R201 PolarHBondContact OE1-NH2 3Å; E198-R201 IonicContact OE2-CZ 3.38Å; E198-R201 IonicContact OE2-NE 3.12Å; E198-R201 PolarHBondContact OE2-NE 3.5Å; E198-R201 IonicContact OE2-NH2 3.2Å; E198-R201 PolarHBondContact OE2-NH2 3.49Å; E198-R201 VanDerWaalsContact OE2-NH2 3.11Å; V199-R201 PolarHBondContact O-N 2.93Å; R201-N204 PolarHBondContact O-N 3.13Å; R201-T205 WeakPolarHBondContact O-CB 3.4Å; R201-T205 PolarHBondContact O-N 3.47Å; R201-T205 PolarHBondContact O-OG1 3.16Å
202	I	91.9	Very high	93.1	Very high	12 Å²	12	55.6 Å²	55.6	6%	0.062	28%	0.284	C	S	.	.	H	α-helix	trans	-59.1	-49.9	174.4	-65.6	169.1	0	0	0	109.5	L168 L187 E198 V199 N204 T205 Y206	L168-I202 HydrophobicContact CD1-CG2 4.17Å; L187-I202 HydrophobicContact CD1-CG2 4.08Å; E198-I202 HydrophobicContact CG-CD1 4.44Å; E198-I202 WeakPolarHBondContact O-CG1 3.41Å; E198-I202 PolarHBondContact O-N 3.35Å; V199-I202 PolarHBondContact O-N 2.96Å; I202-N204 VanDerWaalsContact C-N 3.3Å; I202-N204 PolarHBondContact O-N 2.97Å; I202-T205 PolarHBondContact O-N 2.86Å; I202-T205 VanDerWaalsContact O-N 3.17Å; I202-Y206 HydrophobicContact CG2-CD2 3.91Å; I202-Y206 HydrophobicContact CG2-CE2 4.17Å; I202-Y206 VanDerWaalsContact O-CD2 3.29Å; I202-Y206 WeakPolarHBondContact O-CD2 3.31Å; I202-Y206 PolarHBondContact O-N 3.43Å; I202-Y206 VanDerWaalsContact O-N 3.1Å
203	A	93.5	Very high	93.2	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.008	30%	0.302	C	S	.	.	H	α-helix	trans	-57.6	-42	-179.3	0	0	0	0	0	112.5	V199 G200 N207 L208 V211 D212	V199-A203 WeakPolarHBondContact O-CB 3.36Å; V199-A203 PolarHBondContact O-N 3.31Å; G200-A203 PolarHBondContact O-N 2.72Å; A203-N207 CarbonylContact O-C 3.53Å; A203-N207 WeakPolarHBondContact O-CA 3.49Å; A203-N207 PolarHBondContact O-N 3.33Å; A203-N207 VanDerWaalsContact O-N 3.08Å; A203-L208 HydrophobicContact CB-CB 4.23Å; A203-L208 PolarHBondContact O-N 3.24Å; A203-V211 HydrophobicContact CB-CB 4Å; A203-V211 HydrophobicContact CB-CG1 3.94Å; A203-D212 HydrophobicContact CB-CB 4.12Å
204	N	91.8	Very high	93.3	Very high	107 Å²	107	62.7 Å²	62.7	57%	0.572	31%	0.306	S	S	*	.	H	α-helix	trans	-68.8	-42.9	177.1	-170.1	56	0	0	0	112.5	G200 R201 I202 Y206 N207	G200-N204 PolarHBondContact O-N 2.83Å; R201-N204 PolarHBondContact O-N 3.13Å; I202-N204 VanDerWaalsContact C-N 3.3Å; I202-N204 PolarHBondContact O-N 2.97Å; N204-Y206 VanDerWaalsContact C-N 3.28Å; N204-Y206 PolarHBondContact O-N 3.47Å; N204-N207 PolarHBondContact O-N 3.44Å
205	T	90.9	Very high	93.6	Very high	86 Å²	86	55 Å²	55	53%	0.528	27%	0.27	S	S	.	.	H	α-helix	trans	-60.6	-39.2	-177.9	-56.1	0	0	0	0	111.9	R201 I202	R201-T205 WeakPolarHBondContact O-CB 3.4Å; R201-T205 PolarHBondContact O-N 3.47Å; R201-T205 PolarHBondContact O-OG1 3.16Å; I202-T205 PolarHBondContact O-N 2.86Å; I202-T205 VanDerWaalsContact O-N 3.17Å
206	Y	89.6	Confident	93.8	Very high	39 Å²	39	54.3 Å²	54.3	15%	0.153	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	14.4	-177.7	-58.5	-81.6	0	0	0	113.7	L168 E169 I202 N204 L208	L168-Y206 VanDerWaalsContact CD2-CB 3.47Å; L168-Y206 HydrophobicContact CD2-CD1 3.5Å; L168-Y206 VanDerWaalsContact CD2-CD1 3.5Å; L168-Y206 HydrophobicContact CD2-CD2 3.4Å; L168-Y206 VanDerWaalsContact CD2-CD2 3.4Å; L168-Y206 HydrophobicContact CD2-CE1 4Å; L168-Y206 HydrophobicContact CD2-CE2 3.92Å; L168-Y206 HydrophobicContact CD2-CG 3.16Å; E169-Y206 HydrophobicContact CB-CE1 4Å; E169-Y206 HydrophobicContact CG-CE1 4.41Å; I202-Y206 HydrophobicContact CG2-CD2 3.91Å; I202-Y206 HydrophobicContact CG2-CE2 4.17Å; I202-Y206 VanDerWaalsContact O-CD2 3.29Å; I202-Y206 WeakPolarHBondContact O-CD2 3.31Å; I202-Y206 PolarHBondContact O-N 3.43Å; I202-Y206 VanDerWaalsContact O-N 3.1Å; N204-Y206 VanDerWaalsContact C-N 3.28Å; N204-Y206 PolarHBondContact O-N 3.47Å; Y206-L208 VanDerWaalsContact C-N 3.29Å; Y206-L208 PolarHBondContact O-N 2.92Å
207	N	90.7	Very high	93.8	Very high	131 Å²	131	57.8 Å²	57.8	70%	0.701	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	39.5	179.5	-63.5	-61.9	0	0	0	114.7	A203 N204 T209	A203-N207 CarbonylContact O-C 3.53Å; A203-N207 WeakPolarHBondContact O-CA 3.49Å; A203-N207 PolarHBondContact O-N 3.33Å; A203-N207 VanDerWaalsContact O-N 3.08Å; N204-N207 PolarHBondContact O-N 3.44Å; N207-T209 VanDerWaalsContact C-N 3.35Å; N207-T209 PolarHBondContact O-N 3.38Å
208	L	93.6	Very high	93.9	Very high	9 Å²	9	58.7 Å²	58.7	5%	0.047	29%	0.288	C	S	.	.			trans	-82.3	76.8	177.6	-51.6	177.9	0	0	0	110.6	L168 K184 L187 A203 Y206 E210 V211 D212	L168-L208 HydrophobicContact CD1-CD1 3.83Å; L168-L208 HydrophobicContact CD2-CD1 4.36Å; K184-L208 HydrophobicContact CG-CD2 4.28Å; L187-L208 HydrophobicContact CD1-CD1 3.83Å; A203-L208 HydrophobicContact CB-CB 4.23Å; A203-L208 PolarHBondContact O-N 3.24Å; Y206-L208 VanDerWaalsContact C-N 3.29Å; Y206-L208 PolarHBondContact O-N 2.92Å; L208-E210 VanDerWaalsContact C-N 3.32Å; L208-E210 PolarHBondContact O-N 3.24Å; L208-V211 HydrophobicContact CB-CB 4.05Å; L208-V211 HydrophobicContact CB-CG2 3.93Å; L208-V211 HydrophobicContact CD1-CG2 4.33Å; L208-V211 PolarHBondContact O-N 3.14Å; L208-V211 VanDerWaalsContact O-N 3.17Å; L208-D212 PolarHBondContact O-N 3Å
209	T	93.7	Very high	94.2	Very high	110 Å²	110	55.6 Å²	55.6	68%	0.675	27%	0.273	S	S	*	.	H	α-helix	trans	-56.8	-37.4	-172	55.6	0	0	0	0	114.7	N207 D212 K213	N207-T209 VanDerWaalsContact C-N 3.35Å; N207-T209 PolarHBondContact O-N 3.38Å; T209-D212 PolarHBondContact O-N 3.36Å; T209-K213 WeakPolarHBondContact O-CB 3.16Å; T209-K213 PolarHBondContact O-N 3.48Å
210	E	95.3	Very high	94.3	Very high	122 Å²	122	55.8 Å²	55.8	57%	0.57	27%	0.274	S	S	*	.	H	α-helix	trans	-67.8	-43.8	178.4	-65.9	-178.8	164.1	0	0	112.2	L208 D212 K213 Y214	L208-E210 VanDerWaalsContact C-N 3.32Å; L208-E210 PolarHBondContact O-N 3.24Å; E210-D212 VanDerWaalsContact C-N 3.34Å; E210-K213 PolarHBondContact O-N 2.84Å; E210-Y214 PolarHBondContact O-N 3.21Å
211	V	96	Very high	94.3	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-64.5	-43.8	175.6	-175.1	0	0	0	0	109.3	K184 L187 I188 V199 A203 L208 K213 Y214 V215	K184-V211 HydrophobicContact CB-CG2 3.82Å; K184-V211 HydrophobicContact CG-CG2 3.83Å; L187-V211 HydrophobicContact CB-CG1 3.96Å; L187-V211 HydrophobicContact CB-CG2 4.45Å; L187-V211 HydrophobicContact CD1-CG1 4.26Å; L187-V211 HydrophobicContact CD1-CG2 4.49Å; I188-V211 HydrophobicContact CD1-CG2 4.22Å; I188-V211 HydrophobicContact CG1-CB 4.48Å; I188-V211 HydrophobicContact CG1-CG1 4.45Å; I188-V211 HydrophobicContact CG1-CG2 4.11Å; V199-V211 HydrophobicContact CG1-CG1 3.85Å; A203-V211 HydrophobicContact CB-CB 4Å; A203-V211 HydrophobicContact CB-CG1 3.94Å; L208-V211 HydrophobicContact CB-CB 4.05Å; L208-V211 HydrophobicContact CB-CG2 3.93Å; L208-V211 HydrophobicContact CD1-CG2 4.33Å; L208-V211 PolarHBondContact O-N 3.14Å; L208-V211 VanDerWaalsContact O-N 3.17Å; V211-K213 PolarHBondContact O-N 2.8Å; V211-Y214 WeakPolarHBondContact O-CB 3.42Å; V211-Y214 PolarHBondContact O-N 2.94Å; V211-Y214 VanDerWaalsContact O-N 3.16Å; V211-V215 HydrophobicContact CG1-CG2 4.31Å; V211-V215 WeakPolarHBondContact O-CG2 3.35Å; V211-V215 PolarHBondContact O-N 3.5Å
212	D	95.1	Very high	94.4	Very high	41 Å²	41	59 Å²	59	22%	0.219	29%	0.294	C	S	.	.	H	α-helix	trans	-59.5	-46.4	178.8	-173.3	59.7	0	0	0	112.4	A203 L208 T209 E210 Y214 V215 N216 R239	A203-D212 HydrophobicContact CB-CB 4.12Å; L208-D212 PolarHBondContact O-N 3Å; T209-D212 PolarHBondContact O-N 3.36Å; E210-D212 VanDerWaalsContact C-N 3.34Å; D212-Y214 VanDerWaalsContact C-N 3.32Å; D212-Y214 PolarHBondContact O-N 2.92Å; D212-V215 PolarHBondContact O-N 2.88Å; D212-N216 WeakPolarHBondContact O-CB 3.16Å; D212-N216 PolarHBondContact O-N 2.92Å; D212-N216 PolarHBondContact O-ND2 3.32Å; D212-N216 PolarHBondContact OD2-ND2 3.03Å; D212-R239 IonicContact OD1-CZ 2.74Å; D212-R239 IonicContact OD1-NH1 3.84Å; D212-R239 PolarHBondContact OD1-NH1 3.18Å; D212-R239 IonicContact OD1-NH2 2.79Å; D212-R239 PolarHBondContact OD1-NH2 3.45Å
213	K	95.8	Very high	94.5	Very high	141 Å²	141	58.4 Å²	58.4	61%	0.613	29%	0.291	S	S	*	.	H	α-helix	trans	-61.1	-41.6	175.2	-174.7	178.9	-179.3	-179.7	0	111.6	T209 E210 V211 N217	T209-K213 WeakPolarHBondContact O-CB 3.16Å; T209-K213 PolarHBondContact O-N 3.48Å; E210-K213 PolarHBondContact O-N 2.84Å; V211-K213 PolarHBondContact O-N 2.8Å; K213-N217 PolarHBondContact O-N 3.07Å; K213-N217 VanDerWaalsContact O-N 3.07Å; K213-N217 PolarHBondContact O-ND2 2.91Å
214	Y	97.2	Very high	94.6	Very high	100 Å²	100	60.3 Å²	60.3	39%	0.392	30%	0.303	S	S	.	.	H	α-helix	trans	-62.6	-48.5	176.3	-175.7	-86.2	0	0	0	111.4	I188 V191 E210 V211 D212 N216 N217 F218	I188-Y214 HydrophobicContact CG1-CG 4.3Å; I188-Y214 HydrophobicContact CG2-CD1 4.18Å; I188-Y214 HydrophobicContact CG2-CD2 3.81Å; I188-Y214 HydrophobicContact CG2-CE1 4.2Å; I188-Y214 HydrophobicContact CG2-CE2 3.8Å; I188-Y214 HydrophobicContact CG2-CG 4Å; V191-Y214 HydrophobicContact CB-CD1 4.46Å; V191-Y214 HydrophobicContact CB-CE1 3.95Å; V191-Y214 HydrophobicContact CG1-CE1 4.42Å; V191-Y214 HydrophobicContact CG2-CD1 3.94Å; V191-Y214 HydrophobicContact CG2-CE1 3.87Å; E210-Y214 PolarHBondContact O-N 3.21Å; V211-Y214 WeakPolarHBondContact O-CB 3.42Å; V211-Y214 PolarHBondContact O-N 2.94Å; V211-Y214 VanDerWaalsContact O-N 3.16Å; D212-Y214 VanDerWaalsContact C-N 3.32Å; D212-Y214 PolarHBondContact O-N 2.92Å; Y214-N216 PolarHBondContact O-N 3.48Å; Y214-N217 PolarHBondContact O-N 3.35Å; Y214-F218 WeakPolarHBondContact O-CB 3.33Å; Y214-F218 PolarHBondContact O-N 3.26Å
215	V	97	Very high	94.7	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-59.9	-44.6	177.5	171.9	0	0	0	0	111.2	V191 C196 V199 V211 D212 N217 F218 I219	V191-V215 HydrophobicContact CG2-CG2 4.27Å; C196-V215 WeakPolarHBondContact O-CG1 3.38Å; V199-V215 HydrophobicContact CB-CG2 4.37Å; V199-V215 HydrophobicContact CG1-CG2 3.77Å; V211-V215 HydrophobicContact CG1-CG2 4.31Å; V211-V215 WeakPolarHBondContact O-CG2 3.35Å; V211-V215 PolarHBondContact O-N 3.5Å; D212-V215 PolarHBondContact O-N 2.88Å; V215-N217 VanDerWaalsContact C-N 3.35Å; V215-N217 PolarHBondContact O-N 3.34Å; V215-F218 WeakPolarHBondContact O-CB 3.33Å; V215-F218 PolarHBondContact O-N 3.22Å; V215-I219 HydrophobicContact CG1-CD1 3.67Å; V215-I219 HydrophobicContact CG1-CG1 4.26Å; V215-I219 WeakPolarHBondContact O-CG1 3.41Å; V215-I219 PolarHBondContact O-N 3.13Å
216	N	95.9	Very high	94.9	Very high	22 Å²	22	53 Å²	53	12%	0.118	27%	0.267	C	S	.	.	H	α-helix	trans	-58.3	-46.1	176.3	-78	-30.6	0	0	0	111.9	D212 Y214 I219 L220 R239 F242	D212-N216 WeakPolarHBondContact O-CB 3.16Å; D212-N216 PolarHBondContact O-N 2.92Å; D212-N216 PolarHBondContact O-ND2 3.32Å; D212-N216 PolarHBondContact OD2-ND2 3.03Å; Y214-N216 PolarHBondContact O-N 3.48Å; N216-I219 PolarHBondContact O-N 3.41Å; N216-L220 WeakPolarHBondContact O-CB 3.29Å; N216-L220 VanDerWaalsContact O-CG 3.27Å; N216-L220 WeakPolarHBondContact O-CG 3.42Å; N216-L220 PolarHBondContact O-N 2.78Å; N216-R239 VanDerWaalsContact CG-NH1 3.33Å; N216-R239 WeakPolarHBondContact OD1-CG 3.45Å; N216-R239 PolarHBondContact OD1-NH1 3.32Å; N216-F242 HydrophobicContact CB-CE1 3.84Å
217	N	95.9	Very high	95.1	Very high	73 Å²	73	51.9 Å²	51.9	39%	0.39	26%	0.263	S	S	.	.	H	α-helix	trans	-65.8	-37.5	176	-72.5	-30.6	0	0	0	112.6	K213 Y214 V215 K221	K213-N217 PolarHBondContact O-N 3.07Å; K213-N217 VanDerWaalsContact O-N 3.07Å; K213-N217 PolarHBondContact O-ND2 2.91Å; Y214-N217 PolarHBondContact O-N 3.35Å; V215-N217 VanDerWaalsContact C-N 3.35Å; V215-N217 PolarHBondContact O-N 3.34Å; N217-K221 WeakPolarHBondContact O-CG 3.4Å; N217-K221 PolarHBondContact O-N 2.97Å; N217-K221 VanDerWaalsContact O-N 3.15Å
218	F	96.6	Very high	95.2	Very high	35 Å²	35	50.9 Å²	50.9	15%	0.154	27%	0.266	C	S	.	.	H	α-helix	trans	-63.3	-46.6	176	-178.9	-88.8	0	0	0	111.1	V191 L193 C196 Y214 V215 K221 N222	V191-F218 HydrophobicContact CG1-CB 4.3Å; V191-F218 HydrophobicContact CG1-CD1 3.71Å; V191-F218 HydrophobicContact CG1-CD2 4.02Å; V191-F218 HydrophobicContact CG1-CE1 3.99Å; V191-F218 HydrophobicContact CG1-CE2 4.27Å; V191-F218 HydrophobicContact CG1-CG 3.74Å; V191-F218 HydrophobicContact CG1-CZ 4.26Å; L193-F218 HydrophobicContact CD2-CE1 4.3Å; C196-F218 HydrophobicContact CB-CD1 3.89Å; C196-F218 HydrophobicContact CB-CE1 3.95Å; Y214-F218 WeakPolarHBondContact O-CB 3.33Å; Y214-F218 PolarHBondContact O-N 3.26Å; V215-F218 WeakPolarHBondContact O-CB 3.33Å; V215-F218 PolarHBondContact O-N 3.22Å; F218-K221 PolarHBondContact O-N 3.37Å; F218-N222 HydrophobicContact CE1-CB 4.46Å; F218-N222 WeakPolarHBondContact O-CB 3.34Å; F218-N222 PolarHBondContact O-N 3.31Å; F218-N222 PolarHBondContact O-ND2 3.23Å
219	I	96.4	Very high	95.2	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-63.3	-46.2	177.4	-67.4	168.3	0	0	0	110.3	V215 N216 K221 N222 F223 L226 L235 V243	V215-I219 HydrophobicContact CG1-CD1 3.67Å; V215-I219 HydrophobicContact CG1-CG1 4.26Å; V215-I219 WeakPolarHBondContact O-CG1 3.41Å; V215-I219 PolarHBondContact O-N 3.13Å; N216-I219 PolarHBondContact O-N 3.41Å; I219-K221 PolarHBondContact O-N 2.84Å; I219-N222 CarbonylContact O-C 3.56Å; I219-N222 PolarHBondContact O-N 3.04Å; I219-N222 VanDerWaalsContact O-N 3.17Å; I219-F223 HydrophobicContact CG2-CD2 3.8Å; I219-F223 HydrophobicContact CG2-CE2 4.41Å; I219-F223 WeakPolarHBondContact O-CA 3.28Å; I219-F223 VanDerWaalsContact O-CB 3.3Å; I219-F223 WeakPolarHBondContact O-CB 3.26Å; I219-F223 PolarHBondContact O-N 3.23Å; I219-L226 HydrophobicContact CG1-CD2 4.42Å; I219-L226 HydrophobicContact CG2-CD2 4.07Å; I219-L235 HydrophobicContact CD1-CD2 4.02Å; I219-V243 HydrophobicContact CG2-CG2 3.7Å
220	L	95.7	Very high	94.9	Very high	5 Å²	5	49.6 Å²	49.6	3%	0.026	26%	0.264	C	S	.	.	H	α-helix	trans	-58	-35.6	178.2	-74.4	169.5	0	0	0	113.2	N216 F242 V243 L249	N216-L220 WeakPolarHBondContact O-CB 3.29Å; N216-L220 VanDerWaalsContact O-CG 3.27Å; N216-L220 WeakPolarHBondContact O-CG 3.42Å; N216-L220 PolarHBondContact O-N 2.78Å; L220-F242 HydrophobicContact CD1-CE1 3.79Å; L220-F242 HydrophobicContact CD1-CZ 4.06Å; L220-F242 HydrophobicContact CG-CE1 4.29Å; L220-V243 HydrophobicContact CD2-CB 4.44Å; L220-V243 HydrophobicContact CD2-CG1 4.27Å; L220-V243 HydrophobicContact CD2-CG2 4.39Å; L220-L249 HydrophobicContact CD2-CB 4.08Å; L220-L249 HydrophobicContact CD2-CD1 4.25Å
221	K	94.1	Very high	94.7	Very high	148 Å²	148	46.7 Å²	46.7	64%	0.643	25%	0.25	S	S	*	.	H	α-helix	trans	-77.3	-33.5	177.7	-72.4	177.3	-178.9	-178.2	0	113.2	N217 F218 I219	N217-K221 WeakPolarHBondContact O-CG 3.4Å; N217-K221 PolarHBondContact O-N 2.97Å; N217-K221 VanDerWaalsContact O-N 3.15Å; F218-K221 PolarHBondContact O-N 3.37Å; I219-K221 PolarHBondContact O-N 2.84Å
222	N	95	Very high	94.6	Very high	56 Å²	56	46.8 Å²	46.8	30%	0.299	25%	0.251	S	S	.	.	H	α-helix	trans	-114.3	13.9	-170.5	-60.7	-76.5	0	0	0	113.6	L193 F218 I219 P224 A225 L226	L193-N222 HydrophobicContact CD2-CB 3.81Å; F218-N222 HydrophobicContact CE1-CB 4.46Å; F218-N222 WeakPolarHBondContact O-CB 3.34Å; F218-N222 PolarHBondContact O-N 3.31Å; F218-N222 PolarHBondContact O-ND2 3.23Å; I219-N222 CarbonylContact O-C 3.56Å; I219-N222 PolarHBondContact O-N 3.04Å; I219-N222 VanDerWaalsContact O-N 3.17Å; N222-P224 VanDerWaalsContact C-CD 3.43Å; N222-A225 WeakPolarHBondContact O-CB 3.27Å; N222-A225 PolarHBondContact O-N 2.93Å; N222-A225 VanDerWaalsContact O-N 3.09Å; N222-L226 PolarHBondContact O-N 2.86Å
223	F	95.6	Very high	94.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-56	-42.7	-175.9	-161.8	-118.7	0	0	0	113.8	I219 A225 L226 L227 L235 L240 V243 L249 L257	I219-F223 HydrophobicContact CG2-CD2 3.8Å; I219-F223 HydrophobicContact CG2-CE2 4.41Å; I219-F223 WeakPolarHBondContact O-CA 3.28Å; I219-F223 VanDerWaalsContact O-CB 3.3Å; I219-F223 WeakPolarHBondContact O-CB 3.26Å; I219-F223 PolarHBondContact O-N 3.23Å; F223-A225 VanDerWaalsContact C-N 3.28Å; F223-A225 PolarHBondContact O-N 3.38Å; F223-L226 HydrophobicContact CD2-CD2 4.26Å; F223-L226 CarbonylContact O-C 3.55Å; F223-L226 WeakPolarHBondContact O-CB 3.45Å; F223-L226 PolarHBondContact O-N 3.12Å; F223-L226 VanDerWaalsContact O-N 3.09Å; F223-L227 HydrophobicContact CD1-CD1 4.06Å; F223-L227 HydrophobicContact CD1-CD2 4.37Å; F223-L227 HydrophobicContact CD1-CG 4.08Å; F223-L227 HydrophobicContact CE1-CD1 3.96Å; F223-L227 HydrophobicContact CE1-CD2 3.77Å; F223-L227 HydrophobicContact CE1-CG 3.95Å; F223-L227 HydrophobicContact CE2-CD2 4.31Å; F223-L227 HydrophobicContact CZ-CD2 3.73Å; F223-L227 HydrophobicContact CZ-CG 4.31Å; F223-L227 WeakPolarHBondContact O-CG 3.28Å; F223-L227 PolarHBondContact O-N 3.21Å; F223-L235 HydrophobicContact CE2-CD1 4.39Å; F223-L240 HydrophobicContact CE2-CD1 4.37Å; F223-L240 HydrophobicContact CZ-CD1 3.96Å; F223-V243 HydrophobicContact CD1-CG1 4.18Å; F223-V243 HydrophobicContact CD2-CG1 3.76Å; F223-V243 HydrophobicContact CE1-CG1 4.18Å; F223-V243 HydrophobicContact CE2-CG1 3.77Å; F223-V243 HydrophobicContact CG-CG1 3.97Å; F223-V243 HydrophobicContact CZ-CG1 3.98Å; F223-L249 HydrophobicContact CB-CD1 3.45Å; F223-L249 VanDerWaalsContact CB-CD1 3.45Å; F223-L249 HydrophobicContact CD1-CD1 3.91Å; F223-L249 HydrophobicContact CD1-CD2 4.35Å; F223-L249 HydrophobicContact CG-CD1 3.87Å; F223-L257 HydrophobicContact CD1-CD2 3.95Å; F223-L257 HydrophobicContact CE1-CD2 3.66Å
224	P	94.2	Very high	94.5	Very high	41 Å²	41	44.1 Å²	44.1	27%	0.266	24%	0.239	S	C	.	.	H	α-helix	trans	-57.5	-41	176.5	-16.8	24.3	0	0	0	112.8	N222 L227 S228 H251 C252	N222-P224 VanDerWaalsContact C-CD 3.43Å; P224-L227 PolarHBondContact O-N 3.41Å; P224-S228 PolarHBondContact O-N 3.36Å; P224-S228 PolarHBondContact O-OG 2.82Å; P224-H251 HydrophobicContact CG-CB 4.04Å; P224-H251 VanDerWaalsContact CG-O 3.3Å; P224-H251 WeakPolarHBondContact CG-O 3.38Å; P224-C252 VanDerWaalsContact CG-SG 3.59Å
225	A	94.9	Very high	94.5	Very high	38 Å²	38	39.4 Å²	39.4	31%	0.314	22%	0.22	S	C	.	.	H	α-helix	trans	-68	-40.7	176.2	0	0	0	0	0	111.3	L193 N222 F223 L227 S228 T229	L193-A225 HydrophobicContact CD1-CB 3.85Å; L193-A225 HydrophobicContact CD2-CB 4Å; N222-A225 WeakPolarHBondContact O-CB 3.27Å; N222-A225 PolarHBondContact O-N 2.93Å; N222-A225 VanDerWaalsContact O-N 3.09Å; F223-A225 VanDerWaalsContact C-N 3.28Å; F223-A225 PolarHBondContact O-N 3.38Å; A225-L227 VanDerWaalsContact C-N 3.31Å; A225-L227 PolarHBondContact O-N 3.3Å; A225-S228 WeakPolarHBondContact O-CB 3.38Å; A225-S228 PolarHBondContact O-N 2.79Å; A225-S228 VanDerWaalsContact O-N 3.1Å; A225-T229 PolarHBondContact O-N 3.22Å
226	L	95.1	Very high	94.3	Very high	2 Å²	2	42 Å²	42	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-64.3	-33	175.6	-171.9	67.1	0	0	0	112.8	L193 V197 I219 N222 F223 S228 T229 G230 E231 F232 L235	L193-L226 HydrophobicContact CD2-CB 4.49Å; V197-L226 HydrophobicContact CG2-CD1 4.47Å; I219-L226 HydrophobicContact CG1-CD2 4.42Å; I219-L226 HydrophobicContact CG2-CD2 4.07Å; N222-L226 PolarHBondContact O-N 2.86Å; F223-L226 HydrophobicContact CD2-CD2 4.26Å; F223-L226 CarbonylContact O-C 3.55Å; F223-L226 WeakPolarHBondContact O-CB 3.45Å; F223-L226 PolarHBondContact O-N 3.12Å; F223-L226 VanDerWaalsContact O-N 3.09Å; L226-S228 PolarHBondContact O-N 3.08Å; L226-T229 PolarHBondContact O-N 3.01Å; L226-T229 PolarHBondContact O-OG1 3.12Å; L226-G230 PolarHBondContact O-N 2.95Å; L226-E231 HydrophobicContact CD1-CB 4.32Å; L226-F232 HydrophobicContact CD2-CB 4.14Å; L226-F232 HydrophobicContact CG-CB 4.04Å; L226-L235 HydrophobicContact CD2-CD1 4.38Å
227	L	94.3	Very high	94.3	Very high	15 Å²	15	42.9 Å²	42.9	8%	0.079	24%	0.24	C	C	.	.	H	α-helix	trans	-64.1	-28.8	173.9	-70.6	-177.6	0	0	0	112.6	F223 P224 A225 F232 A260 R263	F223-L227 HydrophobicContact CD1-CD1 4.06Å; F223-L227 HydrophobicContact CD1-CD2 4.37Å; F223-L227 HydrophobicContact CD1-CG 4.08Å; F223-L227 HydrophobicContact CE1-CD1 3.96Å; F223-L227 HydrophobicContact CE1-CD2 3.77Å; F223-L227 HydrophobicContact CE1-CG 3.95Å; F223-L227 HydrophobicContact CE2-CD2 4.31Å; F223-L227 HydrophobicContact CZ-CD2 3.73Å; F223-L227 HydrophobicContact CZ-CG 4.31Å; F223-L227 WeakPolarHBondContact O-CG 3.28Å; F223-L227 PolarHBondContact O-N 3.21Å; P224-L227 PolarHBondContact O-N 3.41Å; A225-L227 VanDerWaalsContact C-N 3.31Å; A225-L227 PolarHBondContact O-N 3.3Å; L227-F232 HydrophobicContact CD2-CB 4.46Å; L227-F232 HydrophobicContact CD2-CD1 3.84Å; L227-F232 HydrophobicContact CD2-CD2 3.98Å; L227-F232 HydrophobicContact CD2-CE1 4.05Å; L227-F232 HydrophobicContact CD2-CE2 4.19Å; L227-F232 HydrophobicContact CD2-CG 3.81Å; L227-F232 HydrophobicContact CD2-CZ 4.23Å; L227-A260 HydrophobicContact CD1-CB 4.29Å; L227-A260 HydrophobicContact CD2-CB 3.47Å; L227-A260 VanDerWaalsContact CD2-CB 3.47Å; L227-R263 PolarHBondContact O-NH2 3.29Å
228	S	92.7	Very high	94.3	Very high	110 Å²	110	45.5 Å²	45.5	77%	0.769	25%	0.25	S	S	*	.	H	α-helix	trans	-78.8	-31.1	178.4	-59.3	0	0	0	0	112.7	P224 A225 L226 G230	P224-S228 PolarHBondContact O-N 3.36Å; P224-S228 PolarHBondContact O-OG 2.82Å; A225-S228 WeakPolarHBondContact O-CB 3.38Å; A225-S228 PolarHBondContact O-N 2.79Å; A225-S228 VanDerWaalsContact O-N 3.1Å; L226-S228 PolarHBondContact O-N 3.08Å; S228-G230 VanDerWaalsContact C-N 3.3Å
229	T	92.6	Very high	94.2	Very high	64 Å²	64	44.6 Å²	44.6	39%	0.393	25%	0.246	S	C	.	.	H	α-helix	trans	-73	-25	175.3	68.7	0	0	0	0	112.5	A225 L226 E231	A225-T229 PolarHBondContact O-N 3.22Å; L226-T229 PolarHBondContact O-N 3.01Å; L226-T229 PolarHBondContact O-OG1 3.12Å; T229-E231 PolarHBondContact O-N 2.99Å; T229-E231 PolarHBondContact OG1-N 3.37Å
230	G	88.8	Confident	94.3	Very high	27 Å²	27	44.6 Å²	44.6	28%	0.278	25%	0.246	S	C	.	.	S	Bend	trans	81	-9.9	-176.6	0	0	0	0	0	114.2	L226 S228 F232 V233	L226-G230 PolarHBondContact O-N 2.95Å; S228-G230 VanDerWaalsContact C-N 3.3Å; G230-F232 PolarHBondContact O-N 3.46Å; G230-V233 WeakPolarHBondContact O-CG2 3.3Å; G230-V233 PolarHBondContact O-N 3.2Å
231	E	89.6	Confident	94.4	Very high	62 Å²	62	45 Å²	45	29%	0.29	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-65.1	-20.5	-178.6	-71	-65.9	125.7	0	0	113.1	L226 T229 V233 K234	L226-E231 HydrophobicContact CD1-CB 4.32Å; T229-E231 PolarHBondContact O-N 2.99Å; T229-E231 PolarHBondContact OG1-N 3.37Å; E231-V233 PolarHBondContact O-N 3Å; E231-K234 WeakPolarHBondContact O-CB 3.36Å; E231-K234 PolarHBondContact O-N 3.15Å; E231-K234 IonicContact OE1-NZ 3.62Å; E231-K234 PolarHBondContact OE1-NZ 2.94Å; E231-K234 WeakPolarHBondContact OE2-CD 3.42Å; E231-K234 VanDerWaalsContact OE2-CE 3.31Å; E231-K234 WeakPolarHBondContact OE2-CE 3.31Å; E231-K234 IonicContact OE2-NZ 2.82Å; E231-K234 PolarHBondContact OE2-NZ 2.87Å
232	F	94.1	Very high	94.5	Very high	1 Å²	1	41.9 Å²	41.9	0%	0.004	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-56.5	-23.4	177.8	80.4	-84.7	0	0	0	113.8	L226 L227 G230 K234 L235 A260 R263 W264	L226-F232 HydrophobicContact CD2-CB 4.14Å; L226-F232 HydrophobicContact CG-CB 4.04Å; L227-F232 HydrophobicContact CD2-CB 4.46Å; L227-F232 HydrophobicContact CD2-CD1 3.84Å; L227-F232 HydrophobicContact CD2-CD2 3.98Å; L227-F232 HydrophobicContact CD2-CE1 4.05Å; L227-F232 HydrophobicContact CD2-CE2 4.19Å; L227-F232 HydrophobicContact CD2-CG 3.81Å; L227-F232 HydrophobicContact CD2-CZ 4.23Å; G230-F232 PolarHBondContact O-N 3.46Å; F232-K234 PolarHBondContact O-N 2.66Å; F232-L235 HydrophobicContact CB-CD1 3.99Å; F232-L235 VanDerWaalsContact O-CB 3.26Å; F232-L235 WeakPolarHBondContact O-CB 3.26Å; F232-L235 WeakPolarHBondContact O-CD1 3.5Å; F232-L235 VanDerWaalsContact O-CG 3.28Å; F232-L235 WeakPolarHBondContact O-CG 3.33Å; F232-L235 PolarHBondContact O-N 2.95Å; F232-L235 VanDerWaalsContact O-N 3.08Å; F232-A260 HydrophobicContact CE2-CB 4.08Å; F232-A260 WeakPolarHBondContact CE2-O 3.4Å; F232-A260 HydrophobicContact CZ-CB 4.45Å; F232-R263 HydrophobicContact CE2-CB 4.37Å; F232-R263 HydrophobicContact CZ-CB 3.83Å; F232-W264 HydrophobicContact CE2-CB 4.3Å
233	V	95.4	Very high	94.6	Very high	20 Å²	20	39.2 Å²	39.2	12%	0.121	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-64.2	-21	177.5	-59	0	0	0	0	112.7	G230 E231 L235 Y267 R271	G230-V233 WeakPolarHBondContact O-CG2 3.3Å; G230-V233 PolarHBondContact O-N 3.2Å; E231-V233 PolarHBondContact O-N 3Å; V233-L235 VanDerWaalsContact C-N 3.32Å; V233-Y267 HydrophobicContact CB-CD1 4.37Å; V233-Y267 HydrophobicContact CB-CD2 3.85Å; V233-Y267 HydrophobicContact CB-CE2 4.28Å; V233-Y267 HydrophobicContact CB-CG 3.9Å; V233-Y267 HydrophobicContact CG1-CD2 4.38Å; V233-Y267 HydrophobicContact CG2-CD1 4.37Å; V233-Y267 HydrophobicContact CG2-CD2 3.63Å; V233-Y267 HydrophobicContact CG2-CE1 4.29Å; V233-Y267 HydrophobicContact CG2-CE2 3.54Å; V233-Y267 HydrophobicContact CG2-CG 4.06Å; V233-R271 PolarHBondContact O-NH1 2.72Å; V233-R271 PolarHBondContact O-NH2 3.22Å
234	K	94.4	Very high	94.6	Very high	106 Å²	106	39.2 Å²	39.2	46%	0.461	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-83.7	-5.5	176.9	-59.7	176.6	-170.7	166	0	113.1	V197 E231 F232	V197-K234 HydrophobicContact CG1-CB 3.89Å; E231-K234 WeakPolarHBondContact O-CB 3.36Å; E231-K234 PolarHBondContact O-N 3.15Å; E231-K234 IonicContact OE1-NZ 3.62Å; E231-K234 PolarHBondContact OE1-NZ 2.94Å; E231-K234 WeakPolarHBondContact OE2-CD 3.42Å; E231-K234 VanDerWaalsContact OE2-CE 3.31Å; E231-K234 WeakPolarHBondContact OE2-CE 3.31Å; E231-K234 IonicContact OE2-NZ 2.82Å; E231-K234 PolarHBondContact OE2-NZ 2.87Å; F232-K234 PolarHBondContact O-N 2.66Å
235	L	95.5	Very high	94.7	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	23%	0.227	C	C	.	.	S	Bend	trans	-63	140.3	176.7	-70.6	168.4	0	0	0	110.8	V197 I219 F223 L226 F232 V233 R239 L240 W264	V197-L235 HydrophobicContact CB-CD2 4.44Å; V197-L235 HydrophobicContact CG1-CD2 4.09Å; V197-L235 HydrophobicContact CG1-CG 4.43Å; V197-L235 HydrophobicContact CG2-CD2 3.94Å; V197-L235 HydrophobicContact CG2-CG 4.23Å; I219-L235 HydrophobicContact CD1-CD2 4.02Å; F223-L235 HydrophobicContact CE2-CD1 4.39Å; L226-L235 HydrophobicContact CD2-CD1 4.38Å; F232-L235 HydrophobicContact CB-CD1 3.99Å; F232-L235 VanDerWaalsContact O-CB 3.26Å; F232-L235 WeakPolarHBondContact O-CB 3.26Å; F232-L235 WeakPolarHBondContact O-CD1 3.5Å; F232-L235 VanDerWaalsContact O-CG 3.28Å; F232-L235 WeakPolarHBondContact O-CG 3.33Å; F232-L235 PolarHBondContact O-N 2.95Å; F232-L235 VanDerWaalsContact O-N 3.08Å; V233-L235 VanDerWaalsContact C-N 3.32Å; L235-R239 HydrophobicContact CD2-CG 4.33Å; L235-L240 HydrophobicContact CB-CB 4.47Å; L235-L240 HydrophobicContact CD1-CD1 4.41Å; L235-W264 PolarHBondContact O-NE1 2.86Å
236	P	94.3	Very high	94.8	Very high	56 Å²	56	38.8 Å²	38.8	36%	0.364	22%	0.218	S	C	.	.			trans	-66.9	156.3	169.9	29.2	-33.8	0	0	0	110.8	E238 R239 L240	P236-E238 VanDerWaalsContact C-N 3.29Å; P236-E238 PolarHBondContact O-N 3.45Å; P236-R239 HydrophobicContact CG-CB 3.86Å; P236-R239 PolarHBondContact O-N 3.21Å; P236-L240 PolarHBondContact O-N 3.07Å; P236-L240 VanDerWaalsContact O-N 3.09Å
237	F	95.6	Very high	94.7	Very high	39 Å²	39	40.8 Å²	40.8	17%	0.171	23%	0.229	C	C	.	.	H	α-helix	trans	-53.1	-47.1	-177.4	167.3	-101.9	0	0	0	111.9	R239 L240 A241 W264 Y274 K277 L278	F237-R239 VanDerWaalsContact C-N 3.31Å; F237-R239 PolarHBondContact O-N 3.43Å; F237-L240 PolarHBondContact O-N 3.23Å; F237-A241 HydrophobicContact CE1-CB 4.46Å; F237-A241 HydrophobicContact CE2-CB 4.35Å; F237-A241 HydrophobicContact CZ-CB 4.17Å; F237-A241 VanDerWaalsContact O-CB 3.27Å; F237-A241 WeakPolarHBondContact O-CB 3.45Å; F237-A241 PolarHBondContact O-N 3.46Å; F237-W264 HydrophobicContact CB-CH2 3.86Å; F237-W264 HydrophobicContact CB-CZ2 4.1Å; F237-W264 HydrophobicContact CD2-CH2 4.11Å; F237-W264 HydrophobicContact CD2-CZ3 4.42Å; F237-W264 HydrophobicContact CG-CH2 4.48Å; F237-Y274 HydrophobicContact CD1-CD1 4.17Å; F237-Y274 HydrophobicContact CD1-CE1 4.3Å; F237-Y274 AromaticContact CD2-CD1 3.71Å; F237-Y274 HydrophobicContact CD2-CD1 3.71Å; F237-Y274 HydrophobicContact CD2-CE1 4.49Å; F237-Y274 AromaticContact CD2-CG 3.78Å; F237-Y274 HydrophobicContact CD2-CG 3.78Å; F237-Y274 HydrophobicContact CE1-CD1 4.28Å; F237-Y274 AromaticContact CE2-CD1 3.83Å; F237-Y274 HydrophobicContact CE2-CD1 3.83Å; F237-Y274 HydrophobicContact CE2-CG 4.09Å; F237-Y274 AromaticContact CG-CD1 3.9Å; F237-Y274 HydrophobicContact CG-CD1 3.9Å; F237-Y274 HydrophobicContact CG-CE1 4.23Å; F237-Y274 HydrophobicContact CG-CG 4.25Å; F237-Y274 HydrophobicContact CZ-CD1 4.13Å; F237-K277 HydrophobicContact CE2-CB 4.18Å; F237-K277 HydrophobicContact CZ-CB 3.85Å; F237-K277 HydrophobicContact CZ-CD 4.36Å; F237-L278 HydrophobicContact CD2-CD1 4.4Å; F237-L278 HydrophobicContact CE2-CB 4.38Å; F237-L278 HydrophobicContact CE2-CD1 4.15Å
238	E	95.3	Very high	94.7	Very high	129 Å²	129	43.2 Å²	43.2	60%	0.603	25%	0.247	S	C	*	.	H	α-helix	trans	-60.5	-42.6	-175.3	-63.9	71.2	-158	0	0	111.1	P236 F242	P236-E238 VanDerWaalsContact C-N 3.29Å; P236-E238 PolarHBondContact O-N 3.45Å; E238-F242 WeakPolarHBondContact O-CB 3.41Å; E238-F242 PolarHBondContact O-N 2.88Å
239	R	95.8	Very high	94.7	Very high	16 Å²	16	38.2 Å²	38.2	6%	0.06	21%	0.211	C	C	.	.	H	α-helix	trans	-72.1	-42.7	-179.6	-166.3	175.6	-54.6	-101.5	5.4	111.3	G200 D212 N216 L235 P236 F237 F242 V243	G200-R239 PolarHBondContact O-NH2 2.83Å; D212-R239 IonicContact OD1-CZ 2.74Å; D212-R239 IonicContact OD1-NH1 3.84Å; D212-R239 PolarHBondContact OD1-NH1 3.18Å; D212-R239 IonicContact OD1-NH2 2.79Å; D212-R239 PolarHBondContact OD1-NH2 3.45Å; N216-R239 VanDerWaalsContact CG-NH1 3.33Å; N216-R239 WeakPolarHBondContact OD1-CG 3.45Å; N216-R239 PolarHBondContact OD1-NH1 3.32Å; L235-R239 HydrophobicContact CD2-CG 4.33Å; P236-R239 HydrophobicContact CG-CB 3.86Å; P236-R239 PolarHBondContact O-N 3.21Å; F237-R239 VanDerWaalsContact C-N 3.31Å; F237-R239 PolarHBondContact O-N 3.43Å; R239-F242 PolarHBondContact O-N 2.91Å; R239-V243 VanDerWaalsContact O-CG2 3.3Å; R239-V243 WeakPolarHBondContact O-CG2 3.39Å; R239-V243 PolarHBondContact O-N 3.24Å
240	L	97.1	Very high	94.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-64.7	-44.3	176.4	-178.2	62.7	0	0	0	111	F223 L235 P236 F237 F242 V243 L244 W264 L278	F223-L240 HydrophobicContact CE2-CD1 4.37Å; F223-L240 HydrophobicContact CZ-CD1 3.96Å; L235-L240 HydrophobicContact CB-CB 4.47Å; L235-L240 HydrophobicContact CD1-CD1 4.41Å; P236-L240 PolarHBondContact O-N 3.07Å; P236-L240 VanDerWaalsContact O-N 3.09Å; F237-L240 PolarHBondContact O-N 3.23Å; L240-F242 VanDerWaalsContact C-N 3.31Å; L240-F242 PolarHBondContact O-N 3.01Å; L240-V243 PolarHBondContact O-N 3.37Å; L240-L244 HydrophobicContact CD1-CD1 4.15Å; L240-L244 HydrophobicContact CD1-CG 4.03Å; L240-L244 HydrophobicContact CD2-CD1 4.45Å; L240-L244 HydrophobicContact CG-CD1 3.92Å; L240-L244 HydrophobicContact CG-CG 4.2Å; L240-L244 WeakPolarHBondContact O-CB 3.47Å; L240-L244 VanDerWaalsContact O-CG 3.26Å; L240-L244 WeakPolarHBondContact O-CG 3.42Å; L240-L244 PolarHBondContact O-N 2.79Å; L240-W264 HydrophobicContact CD2-CB 3.67Å; L240-W264 HydrophobicContact CD2-CD2 3.61Å; L240-W264 HydrophobicContact CD2-CE3 4.23Å; L240-W264 HydrophobicContact CD2-CG 3.31Å; L240-L278 HydrophobicContact CD2-CD1 4.13Å; L240-L278 HydrophobicContact CD2-CD2 4Å; L240-L278 HydrophobicContact CG-CD1 4.14Å
241	A	97.7	Very high	94.1	Very high	13 Å²	13	44.7 Å²	44.7	11%	0.107	23%	0.228	C	C	.	.	H	α-helix	trans	-59.1	-42.4	176.1	0	0	0	0	0	111.6	F237 L244 S245 L278	F237-A241 HydrophobicContact CE1-CB 4.46Å; F237-A241 HydrophobicContact CE2-CB 4.35Å; F237-A241 HydrophobicContact CZ-CB 4.17Å; F237-A241 VanDerWaalsContact O-CB 3.27Å; F237-A241 WeakPolarHBondContact O-CB 3.45Å; F237-A241 PolarHBondContact O-N 3.46Å; A241-L244 CarbonylContact O-C 3.58Å; A241-L244 PolarHBondContact O-N 2.8Å; A241-S245 WeakPolarHBondContact O-CB 3.32Å; A241-S245 PolarHBondContact O-N 3.39Å; A241-S245 PolarHBondContact O-OG 3.42Å; A241-S245 VanDerWaalsContact O-OG 3.12Å; A241-L278 HydrophobicContact CB-CD1 4.33Å
242	F	96.6	Very high	94.2	Very high	83 Å²	83	43 Å²	43	36%	0.364	22%	0.222	S	C	.	.	H	α-helix	trans	-59.9	-47.6	173.5	168.7	-96.9	0	0	0	112.5	N216 L220 E238 R239 L240 L244 S245 S246	N216-F242 HydrophobicContact CB-CE1 3.84Å; L220-F242 HydrophobicContact CD1-CE1 3.79Å; L220-F242 HydrophobicContact CD1-CZ 4.06Å; L220-F242 HydrophobicContact CG-CE1 4.29Å; E238-F242 WeakPolarHBondContact O-CB 3.41Å; E238-F242 PolarHBondContact O-N 2.88Å; R239-F242 PolarHBondContact O-N 2.91Å; L240-F242 VanDerWaalsContact C-N 3.31Å; L240-F242 PolarHBondContact O-N 3.01Å; F242-L244 VanDerWaalsContact C-N 3.33Å; F242-L244 PolarHBondContact O-N 3.49Å; F242-S245 PolarHBondContact O-N 2.83Å; F242-S245 PolarHBondContact O-OG 2.97Å; F242-S245 VanDerWaalsContact O-OG 3.12Å; F242-S246 WeakPolarHBondContact O-CB 3.17Å; F242-S246 PolarHBondContact O-N 3.44Å
243	V	96.8	Very high	94.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-59.8	-47.4	177.3	171.5	0	0	0	0	110.3	I219 L220 F223 R239 L240 S245 L249 R336	I219-V243 HydrophobicContact CG2-CG2 3.7Å; L220-V243 HydrophobicContact CD2-CB 4.44Å; L220-V243 HydrophobicContact CD2-CG1 4.27Å; L220-V243 HydrophobicContact CD2-CG2 4.39Å; F223-V243 HydrophobicContact CD1-CG1 4.18Å; F223-V243 HydrophobicContact CD2-CG1 3.76Å; F223-V243 HydrophobicContact CE1-CG1 4.18Å; F223-V243 HydrophobicContact CE2-CG1 3.77Å; F223-V243 HydrophobicContact CG-CG1 3.97Å; F223-V243 HydrophobicContact CZ-CG1 3.98Å; R239-V243 VanDerWaalsContact O-CG2 3.3Å; R239-V243 WeakPolarHBondContact O-CG2 3.39Å; R239-V243 PolarHBondContact O-N 3.24Å; L240-V243 PolarHBondContact O-N 3.37Å; V243-S245 VanDerWaalsContact C-N 3.26Å; V243-S245 PolarHBondContact O-N 3.32Å; V243-L249 HydrophobicContact CG1-CD1 3.98Å; V243-R336 PolarHBondContact O-NH1 3.2Å; V243-R336 PolarHBondContact O-NH2 2.92Å
244	L	96.9	Very high	94.2	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-71.1	-11.9	179.6	-66	-178.4	0	0	0	114.2	L240 A241 F242 L257 A261 L278 N281 I282 R336	L240-L244 HydrophobicContact CD1-CD1 4.15Å; L240-L244 HydrophobicContact CD1-CG 4.03Å; L240-L244 HydrophobicContact CD2-CD1 4.45Å; L240-L244 HydrophobicContact CG-CD1 3.92Å; L240-L244 HydrophobicContact CG-CG 4.2Å; L240-L244 WeakPolarHBondContact O-CB 3.47Å; L240-L244 VanDerWaalsContact O-CG 3.26Å; L240-L244 WeakPolarHBondContact O-CG 3.42Å; L240-L244 PolarHBondContact O-N 2.79Å; A241-L244 CarbonylContact O-C 3.58Å; A241-L244 PolarHBondContact O-N 2.8Å; F242-L244 VanDerWaalsContact C-N 3.33Å; F242-L244 PolarHBondContact O-N 3.49Å; L244-L257 HydrophobicContact CD2-CB 3.9Å; L244-L257 HydrophobicContact CD2-CD2 3.9Å; L244-L257 HydrophobicContact CD2-CG 4.3Å; L244-A261 HydrophobicContact CD1-CB 4.1Å; L244-L278 HydrophobicContact CD1-CD1 3.67Å; L244-L278 HydrophobicContact CD1-CD2 4.49Å; L244-L278 HydrophobicContact CD1-CG 3.89Å; L244-N281 HydrophobicContact CB-CB 3.75Å; L244-N281 CarbonylContact O-C 3.58Å; L244-N281 WeakPolarHBondContact O-CB 3.32Å; L244-I282 HydrophobicContact CD1-CD1 4.12Å; L244-I282 HydrophobicContact CD2-CD1 3.98Å; L244-I282 HydrophobicContact CG-CD1 4.45Å; L244-R336 PolarHBondContact O-NH2 3.03Å
245	S	96.1	Very high	94.4	Very high	53 Å²	53	42.5 Å²	42.5	37%	0.371	23%	0.227	S	C	.	.	H	α-helix	trans	-104.4	-21.8	175.7	68.5	0	0	0	0	114.7	A241 F242 V243 R336	A241-S245 WeakPolarHBondContact O-CB 3.32Å; A241-S245 PolarHBondContact O-N 3.39Å; A241-S245 PolarHBondContact O-OG 3.42Å; A241-S245 VanDerWaalsContact O-OG 3.12Å; F242-S245 PolarHBondContact O-N 2.83Å; F242-S245 PolarHBondContact O-OG 2.97Å; F242-S245 VanDerWaalsContact O-OG 3.12Å; V243-S245 VanDerWaalsContact C-N 3.26Å; V243-S245 PolarHBondContact O-N 3.32Å; S245-R336 PolarHBondContact O-NH2 3.41Å
246	S	95.9	Very high	94.4	Very high	18 Å²	18	46.7 Å²	46.7	13%	0.126	25%	0.246	C	C	.	.			trans	-66.2	127.1	-178.7	179.1	0	0	0	0	117.6	F242 S248 L249 R336	F242-S246 WeakPolarHBondContact O-CB 3.17Å; F242-S246 PolarHBondContact O-N 3.44Å; S246-S248 PolarHBondContact O-N 3.16Å; S246-S248 VanDerWaalsContact O-N 3.09Å; S246-S248 WeakPolarHBondContact OG-CB 3.47Å; S246-S248 PolarHBondContact OG-N 3Å; S246-S248 VanDerWaalsContact OG-N 3.09Å; S246-L249 PolarHBondContact O-N 3.1Å; S246-R336 PolarHBondContact O-NH1 3.3Å; S246-R336 PolarHBondContact O-NH2 3Å; S246-R336 VanDerWaalsContact O-NH2 3.08Å
247	N	94.4	Very high	94.5	Very high	44 Å²	44	44 Å²	44	24%	0.235	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-5.2	168.8	-82	-21.6	0	0	0	115.1	R283 R336 S337 D338	N247-R283 VanDerWaalsContact OD1-CZ 3.29Å; N247-R283 PolarHBondContact OD1-NH1 3.24Å; N247-R283 VanDerWaalsContact OD1-NH1 3.1Å; N247-R283 PolarHBondContact OD1-NH2 2.9Å; N247-R336 CarbonylContact O-C 3.51Å; N247-S337 WeakPolarHBondContact O-CA 3.43Å; N247-D338 WeakPolarHBondContact CB-OD1 3.39Å; N247-D338 WeakPolarHBondContact CB-OD2 3.4Å; N247-D338 PolarHBondContact ND2-OD1 2.69Å
248	S	93.1	Very high	94.7	Very high	66 Å²	66	42.3 Å²	42.3	46%	0.462	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-4.8	-179.9	-65.6	0	0	0	0	114.2	S246	S246-S248 PolarHBondContact O-N 3.16Å; S246-S248 VanDerWaalsContact O-N 3.09Å; S246-S248 WeakPolarHBondContact OG-CB 3.47Å; S246-S248 PolarHBondContact OG-N 3Å; S246-S248 VanDerWaalsContact OG-N 3.09Å
249	L	92.7	Very high	94.8	Very high	5 Å²	5	40.2 Å²	40.2	3%	0.026	21%	0.21	C	C	.	.			trans	-70	132.5	175.9	-176.8	70.5	0	0	0	110.3	L220 F223 V243 S246 C252 L257	L220-L249 HydrophobicContact CD2-CB 4.08Å; L220-L249 HydrophobicContact CD2-CD1 4.25Å; F223-L249 HydrophobicContact CB-CD1 3.45Å; F223-L249 VanDerWaalsContact CB-CD1 3.45Å; F223-L249 HydrophobicContact CD1-CD1 3.91Å; F223-L249 HydrophobicContact CD1-CD2 4.35Å; F223-L249 HydrophobicContact CG-CD1 3.87Å; V243-L249 HydrophobicContact CG1-CD1 3.98Å; S246-L249 PolarHBondContact O-N 3.1Å; L249-C252 HydrophobicContact CD2-CB 4.26Å; L249-L257 HydrophobicContact CD2-CD1 3.73Å; L249-L257 HydrophobicContact CD2-CD2 3.56Å; L249-L257 HydrophobicContact CD2-CG 4.28Å
250	K	83.6	Confident	94.9	Very high	105 Å²	105	39.5 Å²	39.5	46%	0.457	21%	0.208	S	C	.	.			trans	-116	156.4	-176.3	-56.6	-169.4	173.6	-167.4	0	112.2	C252	K250-C252 VanDerWaalsContact C-N 3.28Å; K250-C252 PolarHBondContact O-N 3.27Å
251	H	86.3	Confident	94.9	Very high	122 Å²	122	39.5 Å²	39.5	57%	0.565	21%	0.208	S	C	*	.	S	Bend	trans	54.9	36.6	168.5	-47	-73.5	0	0	0	114.6	P224 E640	P224-H251 HydrophobicContact CG-CB 4.04Å; P224-H251 VanDerWaalsContact CG-O 3.3Å; P224-H251 WeakPolarHBondContact CG-O 3.38Å; H251-E640 IonicContact CE1-OE1 2.8Å; H251-E640 PolarHBondContact CE1-OE1 3.13Å; H251-E640 IonicContact CG-OE1 2.83Å; H251-E640 IonicContact ND1-OE1 2.98Å; H251-E640 PolarHBondContact ND1-OE1 3.02Å
252	C	91.6	Very high	94.9	Very high	25 Å²	25	39.1 Å²	39.1	17%	0.169	20%	0.204	C	C	.	.			trans	-133.3	129.3	171.6	-80	0	0	0	0	109.9	P224 L249 K250 L257	P224-C252 VanDerWaalsContact CG-SG 3.59Å; L249-C252 HydrophobicContact CD2-CB 4.26Å; K250-C252 VanDerWaalsContact C-N 3.28Å; K250-C252 PolarHBondContact O-N 3.27Å; C252-L257 HydrophobicContact CB-CD1 4.5Å; C252-L257 HydrophobicContact CB-CD2 3.71Å; C252-L257 HydrophobicContact CB-CG 4.07Å
253	T	93.6	Very high	94.9	Very high	80 Å²	80	40.8 Å²	40.8	49%	0.491	21%	0.208	S	C	.	.			trans	-75.4	152.3	169.7	64.9	0	0	0	0	110.4	L255 E256 L257	T253-L255 PolarHBondContact O-N 3.07Å; T253-L255 VanDerWaalsContact O-N 3.17Å; T253-E256 WeakPolarHBondContact CB-OE2 3.29Å; T253-E256 PolarHBondContact N-OE2 3.03Å; T253-E256 PolarHBondContact O-N 3.44Å; T253-E256 VanDerWaalsContact OG1-CD 3.27Å; T253-E256 VanDerWaalsContact OG1-CG 3.26Å; T253-E256 WeakPolarHBondContact OG1-CG 3.34Å; T253-E256 PolarHBondContact OG1-N 3.09Å; T253-E256 PolarHBondContact OG1-OE2 3.47Å; T253-L257 WeakPolarHBondContact O-CG 3.48Å; T253-L257 PolarHBondContact O-N 3.22Å; T253-L257 VanDerWaalsContact O-N 3.12Å
254	E	95.8	Very high	95	Very high	16 Å²	16	41 Å²	41	8%	0.075	21%	0.209	C	C	.	.	H	α-helix	trans	-58.7	-31.6	176.7	-67.3	-63.8	153.5	0	0	112.2	L257 F258 R283 L286 M287 R336	E254-L257 PolarHBondContact O-N 3.45Å; E254-F258 WeakPolarHBondContact O-CB 3.47Å; E254-F258 PolarHBondContact O-N 3.2Å; E254-R283 VanDerWaalsContact CD-CB 3.5Å; E254-R283 HydrophobicContact CG-CB 3.94Å; E254-R283 PolarHBondContact OE2-N 3.18Å; E254-L286 HydrophobicContact CG-CB 4.11Å; E254-L286 HydrophobicContact CG-CD1 4.37Å; E254-M287 VanDerWaalsContact C-CE 3.49Å; E254-M287 HydrophobicContact CB-CE 3.84Å; E254-M287 HydrophobicContact CB-CG 3.97Å; E254-M287 VanDerWaalsContact O-CE 3.28Å; E254-M287 WeakPolarHBondContact O-CE 3.16Å; E254-R336 IonicContact OE1-NE 3.4Å
255	L	96.8	Very high	95	Very high	21 Å²	21	41 Å²	41	11%	0.11	21%	0.209	C	C	.	.	H	α-helix	trans	-64.5	-41.6	176.2	178.7	62.3	0	0	0	111.9	T253 L257 F258 K259 D291 Y295	T253-L255 PolarHBondContact O-N 3.07Å; T253-L255 VanDerWaalsContact O-N 3.17Å; L255-L257 VanDerWaalsContact C-N 3.33Å; L255-F258 HydrophobicContact CD1-CD1 4.46Å; L255-F258 PolarHBondContact O-N 2.9Å; L255-K259 HydrophobicContact CG-CD 4.33Å; L255-K259 WeakPolarHBondContact O-CG 3.46Å; L255-K259 PolarHBondContact O-N 3.38Å; L255-D291 HydrophobicContact CD1-CB 4.39Å; L255-D291 HydrophobicContact CD2-CB 4.26Å; L255-D291 WeakPolarHBondContact CD2-OD1 3.29Å; L255-Y295 HydrophobicContact CD1-CD2 3.9Å; L255-Y295 HydrophobicContact CD1-CG 4.01Å; L255-Y295 HydrophobicContact CD2-CD2 3.83Å; L255-Y295 HydrophobicContact CD2-CE2 4.01Å
256	E	96.4	Very high	95	Very high	89 Å²	89	46.1 Å²	46.1	42%	0.416	22%	0.22	S	C	.	.	H	α-helix	trans	-65.2	-39.9	175.9	-71.5	163	138.3	0	0	111.4	T253 K259 A260	T253-E256 WeakPolarHBondContact CB-OE2 3.29Å; T253-E256 PolarHBondContact N-OE2 3.03Å; T253-E256 PolarHBondContact O-N 3.44Å; T253-E256 VanDerWaalsContact OG1-CD 3.27Å; T253-E256 VanDerWaalsContact OG1-CG 3.26Å; T253-E256 WeakPolarHBondContact OG1-CG 3.34Å; T253-E256 PolarHBondContact OG1-N 3.09Å; T253-E256 PolarHBondContact OG1-OE2 3.47Å; E256-K259 PolarHBondContact O-N 3.04Å; E256-A260 WeakPolarHBondContact O-CB 3.48Å; E256-A260 PolarHBondContact O-N 3.05Å
257	L	97.4	Very high	94.9	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-64.1	-42.2	175.5	-60.7	-179.5	0	0	0	112	F223 L244 L249 C252 T253 E254 L255 A260 A261 I282	F223-L257 HydrophobicContact CD1-CD2 3.95Å; F223-L257 HydrophobicContact CE1-CD2 3.66Å; L244-L257 HydrophobicContact CD2-CB 3.9Å; L244-L257 HydrophobicContact CD2-CD2 3.9Å; L244-L257 HydrophobicContact CD2-CG 4.3Å; L249-L257 HydrophobicContact CD2-CD1 3.73Å; L249-L257 HydrophobicContact CD2-CD2 3.56Å; L249-L257 HydrophobicContact CD2-CG 4.28Å; C252-L257 HydrophobicContact CB-CD1 4.5Å; C252-L257 HydrophobicContact CB-CD2 3.71Å; C252-L257 HydrophobicContact CB-CG 4.07Å; T253-L257 WeakPolarHBondContact O-CG 3.48Å; T253-L257 PolarHBondContact O-N 3.22Å; T253-L257 VanDerWaalsContact O-N 3.12Å; E254-L257 PolarHBondContact O-N 3.45Å; L255-L257 VanDerWaalsContact C-N 3.33Å; L257-A260 PolarHBondContact O-N 3.39Å; L257-A261 WeakPolarHBondContact O-CB 3.49Å; L257-A261 PolarHBondContact O-N 3.08Å; L257-I282 HydrophobicContact CB-CD1 3.67Å
258	F	98.3	Very high	94.8	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.018	25%	0.246	C	C	.	.	H	α-helix	trans	-60.9	-46.5	172.8	171.8	-107	0	0	0	112.2	E254 L255 A260 A261 C262 M279 I282 F284 M287 V296 V299 M302	E254-F258 WeakPolarHBondContact O-CB 3.47Å; E254-F258 PolarHBondContact O-N 3.2Å; L255-F258 HydrophobicContact CD1-CD1 4.46Å; L255-F258 PolarHBondContact O-N 2.9Å; F258-A260 VanDerWaalsContact C-N 3.31Å; F258-A260 PolarHBondContact O-N 2.62Å; F258-A261 PolarHBondContact O-N 2.63Å; F258-C262 VanDerWaalsContact CE2-SG 3.6Å; F258-C262 VanDerWaalsContact CZ-SG 3.51Å; F258-C262 PolarHBondContact O-N 3.12Å; F258-C262 PolarHBondContact O-SG 2.92Å; F258-M279 HydrophobicContact CD2-CE 4.28Å; F258-M279 HydrophobicContact CD2-SD 3.64Å; F258-M279 HydrophobicContact CE2-CE 4.21Å; F258-M279 HydrophobicContact CE2-SD 3.7Å; F258-I282 HydrophobicContact CB-CG2 4.23Å; F258-F284 HydrophobicContact CB-CE1 4.48Å; F258-F284 AromaticContact CD2-CE1 3.52Å; F258-F284 HydrophobicContact CD2-CE1 3.52Å; F258-F284 AromaticContact CD2-CZ 3.74Å; F258-F284 HydrophobicContact CD2-CZ 3.74Å; F258-F284 AromaticContact CE2-CE1 3.94Å; F258-F284 HydrophobicContact CE2-CE1 3.94Å; F258-F284 HydrophobicContact CE2-CZ 4.1Å; F258-F284 HydrophobicContact CG-CE1 4.11Å; F258-M287 HydrophobicContact CB-CE 3.78Å; F258-M287 HydrophobicContact CG-CE 4.42Å; F258-V296 HydrophobicContact CD1-CG2 3.92Å; F258-V296 HydrophobicContact CE1-CB 4.19Å; F258-V296 HydrophobicContact CE1-CG1 4.42Å; F258-V296 HydrophobicContact CE1-CG2 3.88Å; F258-V296 HydrophobicContact CE2-CG1 4.09Å; F258-V296 HydrophobicContact CG-CG2 4.32Å; F258-V296 HydrophobicContact CZ-CB 4.18Å; F258-V296 HydrophobicContact CZ-CG1 3.94Å; F258-V296 HydrophobicContact CZ-CG2 4.23Å; F258-V299 HydrophobicContact CE1-CG2 4.12Å; F258-V299 HydrophobicContact CZ-CB 4.24Å; F258-V299 HydrophobicContact CZ-CG2 3.75Å; F258-M302 HydrophobicContact CE2-CG 4.1Å; F258-M302 HydrophobicContact CE2-SD 4.05Å; F258-M302 HydrophobicContact CZ-CG 4.17Å
259	K	97.4	Very high	94.5	Very high	85 Å²	85	58.9 Å²	58.9	37%	0.37	27%	0.265	S	S	.	.	H	α-helix	trans	-61.3	-40.9	176.2	-74.2	172.8	178.7	174.7	0	111.3	L255 E256 C262 R263	L255-K259 HydrophobicContact CG-CD 4.33Å; L255-K259 WeakPolarHBondContact O-CG 3.46Å; L255-K259 PolarHBondContact O-N 3.38Å; E256-K259 PolarHBondContact O-N 3.04Å; K259-C262 PolarHBondContact O-N 3.06Å; K259-R263 WeakPolarHBondContact O-CG 3.31Å; K259-R263 PolarHBondContact O-N 3.45Å
260	A	97.4	Very high	94.6	Very high	0 Å²	0	63 Å²	63	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-62.6	-47.5	174.8	0	0	0	0	0	111.8	L227 F232 E256 L257 F258 C262 R263 W264	L227-A260 HydrophobicContact CD1-CB 4.29Å; L227-A260 HydrophobicContact CD2-CB 3.47Å; L227-A260 VanDerWaalsContact CD2-CB 3.47Å; F232-A260 HydrophobicContact CE2-CB 4.08Å; F232-A260 WeakPolarHBondContact CE2-O 3.4Å; F232-A260 HydrophobicContact CZ-CB 4.45Å; E256-A260 WeakPolarHBondContact O-CB 3.48Å; E256-A260 PolarHBondContact O-N 3.05Å; L257-A260 PolarHBondContact O-N 3.39Å; F258-A260 VanDerWaalsContact C-N 3.31Å; F258-A260 PolarHBondContact O-N 2.62Å; A260-C262 VanDerWaalsContact C-N 3.33Å; A260-C262 PolarHBondContact O-N 3.3Å; A260-R263 PolarHBondContact O-N 3.4Å; A260-R263 VanDerWaalsContact O-N 3.15Å; A260-W264 PolarHBondContact O-N 3.46Å
261	A	98	Very high	95.1	Very high	0 Å²	0	59 Å²	59	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-58.5	-44.3	176.3	0	0	0	0	0	111.6	L244 L257 F258 R263 W264 L265 L278 M279	L244-A261 HydrophobicContact CD1-CB 4.1Å; L257-A261 WeakPolarHBondContact O-CB 3.49Å; L257-A261 PolarHBondContact O-N 3.08Å; F258-A261 PolarHBondContact O-N 2.63Å; A261-R263 PolarHBondContact O-N 3.47Å; A261-W264 PolarHBondContact O-N 3Å; A261-L265 VanDerWaalsContact O-CG 3.28Å; A261-L265 WeakPolarHBondContact O-CG 3.5Å; A261-L265 PolarHBondContact O-N 2.92Å; A261-L278 HydrophobicContact CB-CD2 3.77Å; A261-L278 HydrophobicContact CB-CG 4.18Å; A261-M279 HydrophobicContact CB-CE 3.71Å
262	C	97.3	Very high	95.5	Very high	6 Å²	6	57.1 Å²	57.1	4%	0.041	27%	0.266	C	S	.	.	H	α-helix	trans	-61.3	-42.3	175.2	-69	0	0	0	0	112.6	F258 K259 A260 L265 R266	F258-C262 VanDerWaalsContact CE2-SG 3.6Å; F258-C262 VanDerWaalsContact CZ-SG 3.51Å; F258-C262 PolarHBondContact O-N 3.12Å; F258-C262 PolarHBondContact O-SG 2.92Å; K259-C262 PolarHBondContact O-N 3.06Å; A260-C262 VanDerWaalsContact C-N 3.33Å; A260-C262 PolarHBondContact O-N 3.3Å; C262-L265 PolarHBondContact O-N 3.04Å; C262-R266 VanDerWaalsContact O-CG 3.31Å; C262-R266 WeakPolarHBondContact O-CG 3.42Å; C262-R266 PolarHBondContact O-N 3.15Å; C262-R266 VanDerWaalsContact O-N 3.13Å
263	R	97	Very high	95.7	Very high	117 Å²	117	63.6 Å²	63.6	44%	0.442	29%	0.294	S	S	.	.	H	α-helix	trans	-63.1	-42.4	176	-75.6	-169.7	-65.7	167.5	2.9	111.7	L227 F232 K259 A260 A261 R266 Y267	L227-R263 PolarHBondContact O-NH2 3.29Å; F232-R263 HydrophobicContact CE2-CB 4.37Å; F232-R263 HydrophobicContact CZ-CB 3.83Å; K259-R263 WeakPolarHBondContact O-CG 3.31Å; K259-R263 PolarHBondContact O-N 3.45Å; A260-R263 PolarHBondContact O-N 3.4Å; A260-R263 VanDerWaalsContact O-N 3.15Å; A261-R263 PolarHBondContact O-N 3.47Å; R263-R266 PolarHBondContact O-N 2.99Å; R263-Y267 PolarHBondContact O-N 3.32Å
264	W	97.8	Very high	95.8	Very high	5 Å²	5	63.7 Å²	63.7	2%	0.019	29%	0.286	C	S	.	.	H	α-helix	trans	-64.9	-41	177.9	-176.8	95.9	0	0	0	112.6	F232 L235 F237 L240 A260 A261 R266 Y267 R271 Y274 L278	F232-W264 HydrophobicContact CE2-CB 4.3Å; L235-W264 PolarHBondContact O-NE1 2.86Å; F237-W264 HydrophobicContact CB-CH2 3.86Å; F237-W264 HydrophobicContact CB-CZ2 4.1Å; F237-W264 HydrophobicContact CD2-CH2 4.11Å; F237-W264 HydrophobicContact CD2-CZ3 4.42Å; F237-W264 HydrophobicContact CG-CH2 4.48Å; L240-W264 HydrophobicContact CD2-CB 3.67Å; L240-W264 HydrophobicContact CD2-CD2 3.61Å; L240-W264 HydrophobicContact CD2-CE3 4.23Å; L240-W264 HydrophobicContact CD2-CG 3.31Å; A260-W264 PolarHBondContact O-N 3.46Å; A261-W264 PolarHBondContact O-N 3Å; W264-R266 VanDerWaalsContact C-N 3.35Å; W264-Y267 WeakPolarHBondContact O-CB 3.29Å; W264-Y267 PolarHBondContact O-N 3.28Å; W264-R271 VanDerWaalsContact CE2-NH1 3.33Å; W264-R271 HydrophobicContact CE3-CB 4.43Å; W264-R271 HydrophobicContact CH2-CB 4.26Å; W264-R271 HydrophobicContact CH2-CG 3.97Å; W264-R271 HydrophobicContact CZ3-CB 3.88Å; W264-R271 HydrophobicContact CZ3-CG 4.07Å; W264-R271 VanDerWaalsContact O-CD 3.29Å; W264-R271 WeakPolarHBondContact O-CD 3.32Å; W264-R271 PolarHBondContact O-NH1 3.08Å; W264-Y274 HydrophobicContact CH2-CD2 4.23Å; W264-Y274 HydrophobicContact CZ3-CD2 4.43Å; W264-L278 HydrophobicContact CE3-CD2 3.82Å; W264-L278 HydrophobicContact CZ3-CD2 4.3Å
265	L	97.3	Very high	95.9	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-65.8	-35.3	177.7	-71.6	167	0	0	0	112.6	A261 C262 Y267 R271 M272 A275 L278 M279 F301	A261-L265 VanDerWaalsContact O-CG 3.28Å; A261-L265 WeakPolarHBondContact O-CG 3.5Å; A261-L265 PolarHBondContact O-N 2.92Å; C262-L265 PolarHBondContact O-N 3.04Å; L265-Y267 VanDerWaalsContact C-N 3.3Å; L265-R271 HydrophobicContact CD2-CB 4.46Å; L265-R271 WeakPolarHBondContact CD2-O 3.4Å; L265-M272 HydrophobicContact CB-CE 4.41Å; L265-A275 HydrophobicContact CD1-CB 3.94Å; L265-A275 HydrophobicContact CD2-CB 4.25Å; L265-L278 HydrophobicContact CD1-CD2 4.34Å; L265-L278 HydrophobicContact CD2-CD2 4.2Å; L265-L278 HydrophobicContact CG-CD2 4.03Å; L265-M279 HydrophobicContact CD1-CE 3.52Å; L265-F301 HydrophobicContact CD1-CE1 4.26Å; L265-F301 HydrophobicContact CD1-CZ 3.91Å
266	R	95.6	Very high	95.9	Very high	160 Å²	160	62.9 Å²	62.9	60%	0.604	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-7	-179.8	-69.5	173.4	-176.7	157.9	1.4	113.8	C262 R263 W264	C262-R266 VanDerWaalsContact O-CG 3.31Å; C262-R266 WeakPolarHBondContact O-CG 3.42Å; C262-R266 PolarHBondContact O-N 3.15Å; C262-R266 VanDerWaalsContact O-N 3.13Å; R263-R266 PolarHBondContact O-N 2.99Å; W264-R266 VanDerWaalsContact C-N 3.35Å
267	Y	95.5	Very high	96	Very high	121 Å²	121	64.7 Å²	64.7	48%	0.475	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-37.2	-177.4	-172.2	-104.9	0	0	0	112.4	V233 R263 W264 L265	V233-Y267 HydrophobicContact CB-CD1 4.37Å; V233-Y267 HydrophobicContact CB-CD2 3.85Å; V233-Y267 HydrophobicContact CB-CE2 4.28Å; V233-Y267 HydrophobicContact CB-CG 3.9Å; V233-Y267 HydrophobicContact CG1-CD2 4.38Å; V233-Y267 HydrophobicContact CG2-CD1 4.37Å; V233-Y267 HydrophobicContact CG2-CD2 3.63Å; V233-Y267 HydrophobicContact CG2-CE1 4.29Å; V233-Y267 HydrophobicContact CG2-CE2 3.54Å; V233-Y267 HydrophobicContact CG2-CG 4.06Å; R263-Y267 PolarHBondContact O-N 3.32Å; W264-Y267 WeakPolarHBondContact O-CB 3.29Å; W264-Y267 PolarHBondContact O-N 3.28Å; L265-Y267 VanDerWaalsContact C-N 3.3Å
268	E	92.3	Very high	96	Very high	91 Å²	91	64.7 Å²	64.7	43%	0.425	29%	0.292	S	S	.	.	S	Bend	trans	-137.6	132.1	176.8	-71.7	163.4	-161.9	0	0	109.2	P270 R271	E268-P270 VanDerWaalsContact C-CD 3.43Å; E268-R271 HydrophobicContact CB-CG 3.98Å; E268-R271 VanDerWaalsContact CD-NE 3.3Å; E268-R271 VanDerWaalsContact O-CB 3.31Å; E268-R271 WeakPolarHBondContact O-CB 3.42Å; E268-R271 PolarHBondContact O-N 3.38Å; E268-R271 IonicContact OE1-CZ 3.37Å; E268-R271 IonicContact OE1-NE 2.63Å; E268-R271 IonicContact OE1-NH2 2.8Å; E268-R271 PolarHBondContact OE1-NH2 3.22Å; E268-R271 IonicContact OE2-CZ 3.29Å; E268-R271 IonicContact OE2-NE 3.11Å; E268-R271 PolarHBondContact OE2-NE 3.17Å; E268-R271 IonicContact OE2-NH2 3.72Å; E268-R271 PolarHBondContact OE2-NH2 2.61Å; E268-R271 VanDerWaalsContact OE2-NH2 3.12Å
269	E	86.1	Confident	95.9	Very high	184 Å²	184	64.5 Å²	64.5	86%	0.86	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-54.6	-41.9	-175.8	-67.9	-148.4	159.6	0	0	115.5	R271 M272	E269-R271 PolarHBondContact O-N 3.03Å; E269-M272 PolarHBondContact O-N 3.41Å
270	P	94.1	Very high	95.9	Very high	92 Å²	92	65.8 Å²	65.8	60%	0.597	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-61.1	-18.4	179.9	-23.3	34.4	0	0	0	113.5	E268 M272 E273	E268-P270 VanDerWaalsContact C-CD 3.43Å; P270-M272 PolarHBondContact O-N 3.09Å; P270-E273 PolarHBondContact O-N 3.42Å
271	R	95.5	Very high	96	Very high	22 Å²	22	67.6 Å²	67.6	8%	0.083	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-70.4	-16.2	-176.2	-65.2	178.7	-175.9	-168.1	1	113.1	V233 W264 L265 E268 E269 E273 Y274	V233-R271 PolarHBondContact O-NH1 2.72Å; V233-R271 PolarHBondContact O-NH2 3.22Å; W264-R271 VanDerWaalsContact CE2-NH1 3.33Å; W264-R271 HydrophobicContact CE3-CB 4.43Å; W264-R271 HydrophobicContact CH2-CB 4.26Å; W264-R271 HydrophobicContact CH2-CG 3.97Å; W264-R271 HydrophobicContact CZ3-CB 3.88Å; W264-R271 HydrophobicContact CZ3-CG 4.07Å; W264-R271 VanDerWaalsContact O-CD 3.29Å; W264-R271 WeakPolarHBondContact O-CD 3.32Å; W264-R271 PolarHBondContact O-NH1 3.08Å; L265-R271 HydrophobicContact CD2-CB 4.46Å; L265-R271 WeakPolarHBondContact CD2-O 3.4Å; E268-R271 HydrophobicContact CB-CG 3.98Å; E268-R271 VanDerWaalsContact CD-NE 3.3Å; E268-R271 VanDerWaalsContact O-CB 3.31Å; E268-R271 WeakPolarHBondContact O-CB 3.42Å; E268-R271 PolarHBondContact O-N 3.38Å; E268-R271 IonicContact OE1-CZ 3.37Å; E268-R271 IonicContact OE1-NE 2.63Å; E268-R271 IonicContact OE1-NH2 2.8Å; E268-R271 PolarHBondContact OE1-NH2 3.22Å; E268-R271 IonicContact OE2-CZ 3.29Å; E268-R271 IonicContact OE2-NE 3.11Å; E268-R271 PolarHBondContact OE2-NE 3.17Å; E268-R271 IonicContact OE2-NH2 3.72Å; E268-R271 PolarHBondContact OE2-NH2 2.61Å; E268-R271 VanDerWaalsContact OE2-NH2 3.12Å; E269-R271 PolarHBondContact O-N 3.03Å; R271-E273 PolarHBondContact O-N 2.76Å; R271-E273 VanDerWaalsContact O-N 3.15Å; R271-Y274 HydrophobicContact CB-CD2 4.46Å; R271-Y274 WeakPolarHBondContact O-CB 3.46Å; R271-Y274 PolarHBondContact O-N 3.35Å
272	M	94.9	Very high	96	Very high	81 Å²	81	67.6 Å²	67.6	40%	0.399	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-61.2	-25.1	-180	-155.6	58.9	60.9	0	0	112.7	L265 E269 P270 Y274 A275 F301	L265-M272 HydrophobicContact CB-CE 4.41Å; E269-M272 PolarHBondContact O-N 3.41Å; P270-M272 PolarHBondContact O-N 3.09Å; M272-Y274 PolarHBondContact O-N 3.33Å; M272-A275 WeakPolarHBondContact O-CB 3.4Å; M272-A275 PolarHBondContact O-N 2.67Å; M272-A275 HydrophobicContact SD-CB 4.27Å; M272-F301 HydrophobicContact SD-CD1 3.7Å; M272-F301 HydrophobicContact SD-CE1 4.11Å; M272-F301 HydrophobicContact SD-CG 4.44Å
273	E	94.8	Very high	96	Very high	162 Å²	162	68.1 Å²	68.1	76%	0.757	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-61.2	-24.6	172.5	-62.4	-173.3	171.6	0	0	113.2	P270 R271	P270-E273 PolarHBondContact O-N 3.42Å; R271-E273 PolarHBondContact O-N 2.76Å; R271-E273 VanDerWaalsContact O-N 3.15Å
274	Y	96.6	Very high	96	Very high	81 Å²	81	62.5 Å²	62.5	32%	0.318	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-86.5	-4.7	177.2	-60	-72.7	0	0	0	113.5	F237 W264 R271 M272 A276 K277 L278	F237-Y274 HydrophobicContact CD1-CD1 4.17Å; F237-Y274 HydrophobicContact CD1-CE1 4.3Å; F237-Y274 AromaticContact CD2-CD1 3.71Å; F237-Y274 HydrophobicContact CD2-CD1 3.71Å; F237-Y274 HydrophobicContact CD2-CE1 4.49Å; F237-Y274 AromaticContact CD2-CG 3.78Å; F237-Y274 HydrophobicContact CD2-CG 3.78Å; F237-Y274 HydrophobicContact CE1-CD1 4.28Å; F237-Y274 AromaticContact CE2-CD1 3.83Å; F237-Y274 HydrophobicContact CE2-CD1 3.83Å; F237-Y274 HydrophobicContact CE2-CG 4.09Å; F237-Y274 AromaticContact CG-CD1 3.9Å; F237-Y274 HydrophobicContact CG-CD1 3.9Å; F237-Y274 HydrophobicContact CG-CE1 4.23Å; F237-Y274 HydrophobicContact CG-CG 4.25Å; F237-Y274 HydrophobicContact CZ-CD1 4.13Å; W264-Y274 HydrophobicContact CH2-CD2 4.23Å; W264-Y274 HydrophobicContact CZ3-CD2 4.43Å; R271-Y274 HydrophobicContact CB-CD2 4.46Å; R271-Y274 WeakPolarHBondContact O-CB 3.46Å; R271-Y274 PolarHBondContact O-N 3.35Å; M272-Y274 PolarHBondContact O-N 3.33Å; Y274-A276 PolarHBondContact O-N 2.96Å; Y274-K277 HydrophobicContact CD1-CD 4.4Å; Y274-K277 PolarHBondContact O-N 3.17Å; Y274-L278 WeakPolarHBondContact O-CB 3.47Å; Y274-L278 PolarHBondContact O-N 2.84Å
275	A	96.7	Very high	96	Very high	4 Å²	4	62.3 Å²	62.3	3%	0.033	29%	0.285	C	S	.	.	H	α-helix	trans	-52.8	-55.2	-172.3	0	0	0	0	0	112.2	L265 M272 K277 L278 M279 F301	L265-A275 HydrophobicContact CD1-CB 3.94Å; L265-A275 HydrophobicContact CD2-CB 4.25Å; M272-A275 WeakPolarHBondContact O-CB 3.4Å; M272-A275 PolarHBondContact O-N 2.67Å; M272-A275 HydrophobicContact SD-CB 4.27Å; A275-K277 VanDerWaalsContact C-N 3.32Å; A275-K277 PolarHBondContact O-N 3.25Å; A275-L278 PolarHBondContact O-N 3.25Å; A275-M279 WeakPolarHBondContact O-CB 3.45Å; A275-M279 WeakPolarHBondContact O-CG 3.17Å; A275-M279 PolarHBondContact O-N 3.09Å; A275-F301 HydrophobicContact CB-CD2 4.09Å; A275-F301 HydrophobicContact CB-CE2 4.34Å; A275-F301 HydrophobicContact CB-CG 4.28Å
276	A	97.3	Very high	95.9	Very high	17 Å²	17	63.4 Å²	63.4	14%	0.14	29%	0.291	C	S	.	.	H	α-helix	trans	-58.7	-41.2	178.6	0	0	0	0	0	113	Y274 K280 T307	Y274-A276 PolarHBondContact O-N 2.96Å; A276-K280 WeakPolarHBondContact O-CG 3.48Å; A276-K280 PolarHBondContact O-N 2.79Å; A276-T307 HydrophobicContact CB-CG2 4.2Å
277	K	97.7	Very high	95.9	Very high	126 Å²	126	56.1 Å²	56.1	55%	0.548	26%	0.264	S	S	.	.	H	α-helix	trans	-68.6	-38.5	-179.8	-65.9	177.9	-179.4	170.2	0	111.7	F237 Y274 A275 N281	F237-K277 HydrophobicContact CE2-CB 4.18Å; F237-K277 HydrophobicContact CZ-CB 3.85Å; F237-K277 HydrophobicContact CZ-CD 4.36Å; Y274-K277 HydrophobicContact CD1-CD 4.4Å; Y274-K277 PolarHBondContact O-N 3.17Å; A275-K277 VanDerWaalsContact C-N 3.32Å; A275-K277 PolarHBondContact O-N 3.25Å; K277-N281 PolarHBondContact O-ND2 3.42Å
278	L	97.5	Very high	95.8	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-73.2	-44.4	-179.5	-164	64.7	0	0	0	111.1	F237 L240 A241 L244 A261 W264 L265 Y274 A275 K280 N281	F237-L278 HydrophobicContact CD2-CD1 4.4Å; F237-L278 HydrophobicContact CE2-CB 4.38Å; F237-L278 HydrophobicContact CE2-CD1 4.15Å; L240-L278 HydrophobicContact CD2-CD1 4.13Å; L240-L278 HydrophobicContact CD2-CD2 4Å; L240-L278 HydrophobicContact CG-CD1 4.14Å; A241-L278 HydrophobicContact CB-CD1 4.33Å; L244-L278 HydrophobicContact CD1-CD1 3.67Å; L244-L278 HydrophobicContact CD1-CD2 4.49Å; L244-L278 HydrophobicContact CD1-CG 3.89Å; A261-L278 HydrophobicContact CB-CD2 3.77Å; A261-L278 HydrophobicContact CB-CG 4.18Å; W264-L278 HydrophobicContact CE3-CD2 3.82Å; W264-L278 HydrophobicContact CZ3-CD2 4.3Å; L265-L278 HydrophobicContact CD1-CD2 4.34Å; L265-L278 HydrophobicContact CD2-CD2 4.2Å; L265-L278 HydrophobicContact CG-CD2 4.03Å; Y274-L278 WeakPolarHBondContact O-CB 3.47Å; Y274-L278 PolarHBondContact O-N 2.84Å; A275-L278 PolarHBondContact O-N 3.25Å; L278-K280 VanDerWaalsContact C-N 3.27Å; L278-K280 PolarHBondContact O-N 3.38Å; L278-N281 WeakPolarHBondContact O-CB 3.27Å; L278-N281 PolarHBondContact O-N 3.25Å; L278-N281 PolarHBondContact O-ND2 3.44Å
279	M	97.9	Very high	96	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-64.1	-28.5	-178.4	-67.4	-60.7	147.7	0	0	113.2	F258 A261 L265 A275 N281 I282 F284 F301 M302 L311	F258-M279 HydrophobicContact CD2-CE 4.28Å; F258-M279 HydrophobicContact CD2-SD 3.64Å; F258-M279 HydrophobicContact CE2-CE 4.21Å; F258-M279 HydrophobicContact CE2-SD 3.7Å; A261-M279 HydrophobicContact CB-CE 3.71Å; L265-M279 HydrophobicContact CD1-CE 3.52Å; A275-M279 WeakPolarHBondContact O-CB 3.45Å; A275-M279 WeakPolarHBondContact O-CG 3.17Å; A275-M279 PolarHBondContact O-N 3.09Å; M279-N281 PolarHBondContact O-N 3.25Å; M279-N281 VanDerWaalsContact O-N 3.12Å; M279-I282 WeakPolarHBondContact O-CB 3.49Å; M279-I282 PolarHBondContact O-N 3.4Å; M279-I282 HydrophobicContact SD-CG1 4.49Å; M279-F284 HydrophobicContact CB-CE2 4.24Å; M279-F284 HydrophobicContact CB-CZ 4.38Å; M279-F284 WeakPolarHBondContact O-CE2 3.17Å; M279-F284 HydrophobicContact SD-CZ 3.91Å; M279-F301 HydrophobicContact CE-CE2 3.73Å; M279-F301 HydrophobicContact CE-CZ 3.65Å; M279-F301 HydrophobicContact CG-CE2 3.94Å; M279-F301 HydrophobicContact SD-CE2 4.17Å; M279-M302 HydrophobicContact CG-SD 4.06Å; M279-M302 HydrophobicContact SD-SD 4.17Å; M279-L311 HydrophobicContact CB-CD1 3.76Å
280	K	97.3	Very high	96.4	Very high	112 Å²	112	49.7 Å²	49.7	49%	0.487	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-24.6	172.6	-78.3	178.9	-173.1	-171.4	0	113.6	A276 L278 I282 T307 L311 R332	A276-K280 WeakPolarHBondContact O-CG 3.48Å; A276-K280 PolarHBondContact O-N 2.79Å; L278-K280 VanDerWaalsContact C-N 3.27Å; L278-K280 PolarHBondContact O-N 3.38Å; K280-I282 VanDerWaalsContact C-N 3.33Å; K280-T307 HydrophobicContact CD-CG2 4.4Å; K280-T307 HydrophobicContact CG-CG2 4.2Å; K280-L311 HydrophobicContact CG-CD1 4.39Å; K280-L311 HydrophobicContact CG-CD2 4.3Å; K280-R332 VanDerWaalsContact O-CD 3.29Å; K280-R332 WeakPolarHBondContact O-CD 3.42Å
281	N	97.9	Very high	96.6	Very high	38 Å²	38	47 Å²	47	20%	0.203	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-14.4	179.7	-52.7	-66.3	0	0	0	112.4	L244 K277 L278 M279	L244-N281 HydrophobicContact CB-CB 3.75Å; L244-N281 CarbonylContact O-C 3.58Å; L244-N281 WeakPolarHBondContact O-CB 3.32Å; K277-N281 PolarHBondContact O-ND2 3.42Å; L278-N281 WeakPolarHBondContact O-CB 3.27Å; L278-N281 PolarHBondContact O-N 3.25Å; L278-N281 PolarHBondContact O-ND2 3.44Å; M279-N281 PolarHBondContact O-N 3.25Å; M279-N281 VanDerWaalsContact O-N 3.12Å
282	I	97.9	Very high	96.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.226	C	C	.	.	S	Bend	trans	-84.7	134.7	177.7	-54	-58.9	0	0	0	110.5	L244 L257 F258 M279 K280 F284 M287	L244-I282 HydrophobicContact CD1-CD1 4.12Å; L244-I282 HydrophobicContact CD2-CD1 3.98Å; L244-I282 HydrophobicContact CG-CD1 4.45Å; L257-I282 HydrophobicContact CB-CD1 3.67Å; F258-I282 HydrophobicContact CB-CG2 4.23Å; M279-I282 WeakPolarHBondContact O-CB 3.49Å; M279-I282 PolarHBondContact O-N 3.4Å; M279-I282 HydrophobicContact SD-CG1 4.49Å; K280-I282 VanDerWaalsContact C-N 3.33Å; I282-F284 VanDerWaalsContact C-N 3.34Å; I282-F284 HydrophobicContact CB-CD2 4.21Å; I282-F284 HydrophobicContact CB-CE1 4.42Å; I282-F284 HydrophobicContact CB-CE2 3.78Å; I282-F284 HydrophobicContact CB-CZ 3.89Å; I282-F284 HydrophobicContact CG1-CZ 4.47Å; I282-F284 HydrophobicContact CG2-CD1 4.06Å; I282-F284 HydrophobicContact CG2-CD2 4.2Å; I282-F284 HydrophobicContact CG2-CE1 3.87Å; I282-F284 HydrophobicContact CG2-CE2 4.03Å; I282-F284 HydrophobicContact CG2-CG 4.22Å; I282-F284 HydrophobicContact CG2-CZ 3.86Å; I282-F284 PolarHBondContact O-N 3.29Å; I282-M287 HydrophobicContact CG2-CE 3.61Å
283	R	97.3	Very high	96.7	Very high	17 Å²	17	47 Å²	47	6%	0.064	23%	0.231	C	C	.	.			trans	-92.3	65.3	-179.1	-54.5	-172.5	-177.6	177.2	4.9	110.9	N247 E254 P285 L286 E331 R332 A334 I335 R336	N247-R283 VanDerWaalsContact OD1-CZ 3.29Å; N247-R283 PolarHBondContact OD1-NH1 3.24Å; N247-R283 VanDerWaalsContact OD1-NH1 3.1Å; N247-R283 PolarHBondContact OD1-NH2 2.9Å; E254-R283 VanDerWaalsContact CD-CB 3.5Å; E254-R283 HydrophobicContact CG-CB 3.94Å; E254-R283 PolarHBondContact OE2-N 3.18Å; R283-P285 VanDerWaalsContact C-N 3.26Å; R283-P285 VanDerWaalsContact O-N 3.15Å; R283-L286 HydrophobicContact CB-CB 4.48Å; R283-L286 HydrophobicContact CB-CD1 3.82Å; R283-L286 HydrophobicContact CB-CG 3.95Å; R283-L286 WeakPolarHBondContact O-CB 3.33Å; R283-L286 PolarHBondContact O-N 2.97Å; R283-E331 PolarHBondContact NE-O 3.29Å; R283-R332 WeakPolarHBondContact CB-O 3.42Å; R283-A334 WeakPolarHBondContact CD-O 3.25Å; R283-A334 PolarHBondContact NH1-O 2.99Å; R283-I335 PolarHBondContact NH1-O 3.02Å; R283-R336 VanDerWaalsContact NH1-N 3.19Å
284	F	97.9	Very high	96.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-48.5	-37.7	178.2	-63.3	-76.3	0	0	0	114.8	F258 M279 I282 L286 M287 L292 V296 M302 L311 A315	F258-F284 HydrophobicContact CB-CE1 4.48Å; F258-F284 AromaticContact CD2-CE1 3.52Å; F258-F284 HydrophobicContact CD2-CE1 3.52Å; F258-F284 AromaticContact CD2-CZ 3.74Å; F258-F284 HydrophobicContact CD2-CZ 3.74Å; F258-F284 AromaticContact CE2-CE1 3.94Å; F258-F284 HydrophobicContact CE2-CE1 3.94Å; F258-F284 HydrophobicContact CE2-CZ 4.1Å; F258-F284 HydrophobicContact CG-CE1 4.11Å; M279-F284 HydrophobicContact CB-CE2 4.24Å; M279-F284 HydrophobicContact CB-CZ 4.38Å; M279-F284 WeakPolarHBondContact O-CE2 3.17Å; M279-F284 HydrophobicContact SD-CZ 3.91Å; I282-F284 VanDerWaalsContact C-N 3.34Å; I282-F284 HydrophobicContact CB-CD2 4.21Å; I282-F284 HydrophobicContact CB-CE1 4.42Å; I282-F284 HydrophobicContact CB-CE2 3.78Å; I282-F284 HydrophobicContact CB-CZ 3.89Å; I282-F284 HydrophobicContact CG1-CZ 4.47Å; I282-F284 HydrophobicContact CG2-CD1 4.06Å; I282-F284 HydrophobicContact CG2-CD2 4.2Å; I282-F284 HydrophobicContact CG2-CE1 3.87Å; I282-F284 HydrophobicContact CG2-CE2 4.03Å; I282-F284 HydrophobicContact CG2-CG 4.22Å; I282-F284 HydrophobicContact CG2-CZ 3.86Å; I282-F284 PolarHBondContact O-N 3.29Å; F284-L286 PolarHBondContact O-N 3.37Å; F284-M287 HydrophobicContact CD1-CE 3.49Å; F284-M287 VanDerWaalsContact CD1-CE 3.49Å; F284-M287 HydrophobicContact CD1-SD 3.91Å; F284-M287 HydrophobicContact CE1-CE 3.84Å; F284-M287 HydrophobicContact CG-CE 4.37Å; F284-M287 WeakPolarHBondContact O-CB 3.35Å; F284-M287 PolarHBondContact O-N 3.46Å; F284-L292 HydrophobicContact CB-CD2 4.21Å; F284-L292 HydrophobicContact CD1-CD2 4.31Å; F284-V296 HydrophobicContact CD1-CG1 3.91Å; F284-V296 HydrophobicContact CD1-CG2 4.15Å; F284-V296 HydrophobicContact CE1-CG1 3.58Å; F284-V296 HydrophobicContact CE1-CG2 4.09Å; F284-V296 HydrophobicContact CZ-CG1 4.47Å; F284-M302 HydrophobicContact CE1-CE 4.06Å; F284-M302 HydrophobicContact CE2-CE 4.13Å; F284-M302 HydrophobicContact CZ-CE 3.7Å; F284-M302 HydrophobicContact CZ-SD 4.32Å; F284-L311 HydrophobicContact CD2-CB 3.95Å; F284-L311 HydrophobicContact CD2-CD1 4.45Å; F284-L311 HydrophobicContact CE2-CB 4.15Å; F284-L311 HydrophobicContact CE2-CD1 3.96Å; F284-A315 HydrophobicContact CB-CB 3.55Å
285	P	97.3	Very high	96.9	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-59.1	-13.9	175	-26.2	35.8	0	0	0	115.3	R283 E314 A315 Y318 Q319 T333	R283-P285 VanDerWaalsContact C-N 3.26Å; R283-P285 VanDerWaalsContact O-N 3.15Å; P285-E314 HydrophobicContact CG-CG 4.41Å; P285-A315 HydrophobicContact CG-CB 4.25Å; P285-Y318 HydrophobicContact CB-CD1 3.87Å; P285-Y318 HydrophobicContact CB-CE1 4.46Å; P285-Y318 HydrophobicContact CB-CG 3.94Å; P285-Q319 PolarHBondContact O-NE2 3.26Å; P285-T333 HydrophobicContact CB-CG2 3.84Å; P285-T333 HydrophobicContact CG-CG2 4.09Å
286	L	95.2	Very high	96.9	Very high	24 Å²	24	44.7 Å²	44.7	13%	0.126	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-91.9	-7.9	175.7	-57.6	-173	0	0	0	113.9	E254 R283 F284 T333 A334 R417 Y418	E254-L286 HydrophobicContact CG-CB 4.11Å; E254-L286 HydrophobicContact CG-CD1 4.37Å; R283-L286 HydrophobicContact CB-CB 4.48Å; R283-L286 HydrophobicContact CB-CD1 3.82Å; R283-L286 HydrophobicContact CB-CG 3.95Å; R283-L286 WeakPolarHBondContact O-CB 3.33Å; R283-L286 PolarHBondContact O-N 2.97Å; F284-L286 PolarHBondContact O-N 3.37Å; L286-T333 VanDerWaalsContact CD2-O 3.28Å; L286-T333 WeakPolarHBondContact CD2-O 3.45Å; L286-A334 WeakPolarHBondContact CD1-O 3.41Å; L286-R417 HydrophobicContact CD2-CG 4.44Å; L286-Y418 VanDerWaalsContact C-OH 3.24Å; L286-Y418 WeakPolarHBondContact CA-OH 3.35Å; L286-Y418 PolarHBondContact O-OH 3.25Å
287	M	95.8	Very high	96.9	Very high	6 Å²	6	48.2 Å²	48.2	3%	0.03	24%	0.235	C	C	.	.	S	Bend	trans	-77	154.9	174.3	-61.2	-173.8	-169.1	0	0	111.1	E254 F258 I282 F284 D291 L292 V296 Q319	E254-M287 VanDerWaalsContact C-CE 3.49Å; E254-M287 HydrophobicContact CB-CE 3.84Å; E254-M287 HydrophobicContact CB-CG 3.97Å; E254-M287 VanDerWaalsContact O-CE 3.28Å; E254-M287 WeakPolarHBondContact O-CE 3.16Å; F258-M287 HydrophobicContact CB-CE 3.78Å; F258-M287 HydrophobicContact CG-CE 4.42Å; I282-M287 HydrophobicContact CG2-CE 3.61Å; F284-M287 HydrophobicContact CD1-CE 3.49Å; F284-M287 VanDerWaalsContact CD1-CE 3.49Å; F284-M287 HydrophobicContact CD1-SD 3.91Å; F284-M287 HydrophobicContact CE1-CE 3.84Å; F284-M287 HydrophobicContact CG-CE 4.37Å; F284-M287 WeakPolarHBondContact O-CB 3.35Å; F284-M287 PolarHBondContact O-N 3.46Å; M287-D291 HydrophobicContact CB-CB 4.23Å; M287-L292 HydrophobicContact CB-CD2 3.96Å; M287-L292 HydrophobicContact CB-CG 4.02Å; M287-L292 HydrophobicContact CG-CD2 4.45Å; M287-L292 HydrophobicContact SD-CD2 3.94Å; M287-V296 HydrophobicContact CE-CG2 4.31Å; M287-V296 HydrophobicContact SD-CG2 3.6Å; M287-V296 VanDerWaalsContact SD-CG2 3.6Å; M287-Q319 PolarHBondContact O-NE2 3.14Å
288	T	94.1	Very high	96.8	Very high	54 Å²	54	46.5 Å²	46.5	33%	0.331	24%	0.235	S	C	.	.			trans	-70.4	156	172.8	72.6	0	0	0	0	110.5	Q290 D291 L292	T288-Q290 PolarHBondContact O-N 3.46Å; T288-D291 PolarHBondContact N-OD2 2.91Å; T288-D291 PolarHBondContact O-N 3.16Å; T288-D291 VanDerWaalsContact O-N 3.08Å; T288-D291 PolarHBondContact OG1-N 3.22Å; T288-D291 VanDerWaalsContact OG1-N 3.14Å; T288-D291 PolarHBondContact OG1-OD2 2.88Å; T288-L292 PolarHBondContact O-N 3.21Å; T288-L292 VanDerWaalsContact O-N 3.12Å
289	P	95.6	Very high	96.8	Very high	67 Å²	67	47 Å²	47	44%	0.435	24%	0.238	S	C	.	.	H	α-helix	trans	-54.9	-36.7	173.5	-25.9	33.7	0	0	0	113.2	L292 I293 Q319	P289-L292 PolarHBondContact O-N 3.21Å; P289-I293 WeakPolarHBondContact O-CG1 3.35Å; P289-I293 PolarHBondContact O-N 2.87Å; P289-I293 VanDerWaalsContact O-N 3.15Å; P289-Q319 HydrophobicContact CG-CB 4.19Å
290	Q	95.8	Very high	96.7	Very high	140 Å²	140	52 Å²	52	65%	0.654	27%	0.265	S	S	*	.	H	α-helix	trans	-65.4	-40.9	177.8	-69.7	179.4	-14.7	0	0	111.5	T288 I293 N294	T288-Q290 PolarHBondContact O-N 3.46Å; Q290-I293 PolarHBondContact O-N 3.27Å; Q290-N294 VanDerWaalsContact O-CB 3.23Å; Q290-N294 WeakPolarHBondContact O-CB 3.4Å; Q290-N294 VanDerWaalsContact O-CG 3.28Å; Q290-N294 PolarHBondContact O-N 2.63Å; Q290-N294 PolarHBondContact O-ND2 2.68Å
291	D	96.8	Very high	96.6	Very high	37 Å²	37	47.7 Å²	47.7	20%	0.198	25%	0.247	C	C	.	.	H	α-helix	trans	-66.9	-40.8	179.2	-64.4	-41	0	0	0	112.2	L255 M287 T288 I293 Y295 V296	L255-D291 HydrophobicContact CD1-CB 4.39Å; L255-D291 HydrophobicContact CD2-CB 4.26Å; L255-D291 WeakPolarHBondContact CD2-OD1 3.29Å; M287-D291 HydrophobicContact CB-CB 4.23Å; T288-D291 PolarHBondContact N-OD2 2.91Å; T288-D291 PolarHBondContact O-N 3.16Å; T288-D291 VanDerWaalsContact O-N 3.08Å; T288-D291 PolarHBondContact OG1-N 3.22Å; T288-D291 VanDerWaalsContact OG1-N 3.14Å; T288-D291 PolarHBondContact OG1-OD2 2.88Å; D291-I293 PolarHBondContact O-N 2.74Å; D291-Y295 HydrophobicContact CB-CD2 4.35Å; D291-Y295 WeakPolarHBondContact O-CB 3.32Å; D291-Y295 PolarHBondContact O-N 2.86Å; D291-V296 PolarHBondContact O-N 3.01Å
292	L	97.4	Very high	96.6	Very high	5 Å²	5	45.9 Å²	45.9	3%	0.026	24%	0.237	C	C	.	.	I	π-helix	trans	-59.8	-45.9	176.6	-67.9	173.7	0	0	0	111.2	F284 M287 T288 P289 V296 Q297 L312 A315 Q319	F284-L292 HydrophobicContact CB-CD2 4.21Å; F284-L292 HydrophobicContact CD1-CD2 4.31Å; M287-L292 HydrophobicContact CB-CD2 3.96Å; M287-L292 HydrophobicContact CB-CG 4.02Å; M287-L292 HydrophobicContact CG-CD2 4.45Å; M287-L292 HydrophobicContact SD-CD2 3.94Å; T288-L292 PolarHBondContact O-N 3.21Å; T288-L292 VanDerWaalsContact O-N 3.12Å; P289-L292 PolarHBondContact O-N 3.21Å; L292-V296 HydrophobicContact CD2-CB 4.46Å; L292-V296 HydrophobicContact CD2-CG2 4.19Å; L292-V296 WeakPolarHBondContact O-CB 3.42Å; L292-V296 PolarHBondContact O-N 3.14Å; L292-Q297 WeakPolarHBondContact O-CB 3.29Å; L292-Q297 PolarHBondContact O-N 3.02Å; L292-L312 HydrophobicContact CB-CD1 4.42Å; L292-L312 HydrophobicContact CD2-CD1 4.14Å; L292-A315 HydrophobicContact CD1-CB 3.91Å; L292-A315 HydrophobicContact CD2-CB 4.07Å; L292-Q319 HydrophobicContact CD1-CG 4.25Å
293	I	96.6	Very high	96.5	Very high	97 Å²	97	52.4 Å²	52.4	50%	0.497	26%	0.262	S	S	.	.	I	π-helix	trans	-73	-49.3	-178	-65.6	167	0	0	0	111.3	P289 Q290 D291	P289-I293 WeakPolarHBondContact O-CG1 3.35Å; P289-I293 PolarHBondContact O-N 2.87Å; P289-I293 VanDerWaalsContact O-N 3.15Å; Q290-I293 PolarHBondContact O-N 3.27Å; D291-I293 PolarHBondContact O-N 2.74Å
294	N	97.1	Very high	96.4	Very high	96 Å²	96	57 Å²	57	51%	0.513	29%	0.291	S	S	.	.	I	π-helix	trans	-80.1	-26.4	-169.2	-65.4	-21.8	0	0	0	113.3	Q290 T298	Q290-N294 VanDerWaalsContact O-CB 3.23Å; Q290-N294 WeakPolarHBondContact O-CB 3.4Å; Q290-N294 VanDerWaalsContact O-CG 3.28Å; Q290-N294 PolarHBondContact O-N 2.63Å; Q290-N294 PolarHBondContact O-ND2 2.68Å; N294-T298 VanDerWaalsContact O-CG2 3.28Å; N294-T298 WeakPolarHBondContact O-CG2 3.5Å
295	Y	97.6	Very high	96.4	Very high	102 Å²	102	59.7 Å²	59.7	40%	0.4	31%	0.306	S	S	.	.	I	π-helix	trans	-121.4	-42.6	-174.9	-56.9	-70.9	0	0	0	114.1	L255 D291 T298	L255-Y295 HydrophobicContact CD1-CD2 3.9Å; L255-Y295 HydrophobicContact CD1-CG 4.01Å; L255-Y295 HydrophobicContact CD2-CD2 3.83Å; L255-Y295 HydrophobicContact CD2-CE2 4.01Å; D291-Y295 HydrophobicContact CB-CD2 4.35Å; D291-Y295 WeakPolarHBondContact O-CB 3.32Å; D291-Y295 PolarHBondContact O-N 2.86Å; Y295-T298 PolarHBondContact O-OG1 2.9Å
296	V	97.5	Very high	96.4	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	34%	0.336	C	S	.	.	I	π-helix	trans	-80	-49.6	-173.8	-177.3	0	0	0	0	111.2	F258 F284 M287 D291 L292 T298 V299 M302 L312	F258-V296 HydrophobicContact CD1-CG2 3.92Å; F258-V296 HydrophobicContact CE1-CB 4.19Å; F258-V296 HydrophobicContact CE1-CG1 4.42Å; F258-V296 HydrophobicContact CE1-CG2 3.88Å; F258-V296 HydrophobicContact CE2-CG1 4.09Å; F258-V296 HydrophobicContact CG-CG2 4.32Å; F258-V296 HydrophobicContact CZ-CB 4.18Å; F258-V296 HydrophobicContact CZ-CG1 3.94Å; F258-V296 HydrophobicContact CZ-CG2 4.23Å; F284-V296 HydrophobicContact CD1-CG1 3.91Å; F284-V296 HydrophobicContact CD1-CG2 4.15Å; F284-V296 HydrophobicContact CE1-CG1 3.58Å; F284-V296 HydrophobicContact CE1-CG2 4.09Å; F284-V296 HydrophobicContact CZ-CG1 4.47Å; M287-V296 HydrophobicContact CE-CG2 4.31Å; M287-V296 HydrophobicContact SD-CG2 3.6Å; M287-V296 VanDerWaalsContact SD-CG2 3.6Å; D291-V296 PolarHBondContact O-N 3.01Å; L292-V296 HydrophobicContact CD2-CB 4.46Å; L292-V296 HydrophobicContact CD2-CG2 4.19Å; L292-V296 WeakPolarHBondContact O-CB 3.42Å; L292-V296 PolarHBondContact O-N 3.14Å; V296-T298 PolarHBondContact O-N 3.07Å; V296-V299 PolarHBondContact O-N 3.16Å; V296-M302 HydrophobicContact CG1-CE 3.7Å; V296-M302 HydrophobicContact CG1-CG 4.15Å; V296-L312 HydrophobicContact CG1-CD1 4.1Å
297	Q	95.9	Very high	96.5	Very high	92 Å²	92	66.3 Å²	66.3	43%	0.43	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-21.2	-177.8	-170.6	175.7	3.1	0	0	112.9	L292 V299 R303 L312	L292-Q297 WeakPolarHBondContact O-CB 3.29Å; L292-Q297 PolarHBondContact O-N 3.02Å; Q297-V299 PolarHBondContact O-N 3.18Å; Q297-R303 WeakPolarHBondContact O-CD 3.49Å; Q297-R303 PolarHBondContact O-NE 2.95Å; Q297-L312 HydrophobicContact CB-CD2 4.2Å; Q297-L312 HydrophobicContact CG-CD2 4.18Å
298	T	96.8	Very high	96.6	Very high	89 Å²	89	66 Å²	66	55%	0.546	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-11.8	178.6	62.3	0	0	0	0	113.3	N294 Y295 V296	N294-T298 VanDerWaalsContact O-CG2 3.28Å; N294-T298 WeakPolarHBondContact O-CG2 3.5Å; Y295-T298 PolarHBondContact O-OG1 2.9Å; V296-T298 PolarHBondContact O-N 3.07Å
299	V	97.2	Very high	96.8	Very high	11 Å²	11	65.4 Å²	65.4	7%	0.067	34%	0.338	C	S	.	.	S	Bend	trans	-87.9	127.1	179.3	-180	0	0	0	0	111.2	F258 V296 Q297 F301 M302	F258-V299 HydrophobicContact CE1-CG2 4.12Å; F258-V299 HydrophobicContact CZ-CB 4.24Å; F258-V299 HydrophobicContact CZ-CG2 3.75Å; V296-V299 PolarHBondContact O-N 3.16Å; Q297-V299 PolarHBondContact O-N 3.18Å; V299-F301 HydrophobicContact CG1-CD1 3.64Å; V299-F301 HydrophobicContact CG1-CD2 4.38Å; V299-F301 HydrophobicContact CG1-CE1 3.26Å; V299-F301 HydrophobicContact CG1-CE2 4.05Å; V299-F301 HydrophobicContact CG1-CG 4.18Å; V299-F301 HydrophobicContact CG1-CZ 3.48Å; V299-F301 VanDerWaalsContact CG1-CZ 3.48Å; V299-F301 PolarHBondContact O-N 2.88Å; V299-M302 HydrophobicContact CB-CB 4.44Å; V299-M302 HydrophobicContact CB-CG 3.98Å; V299-M302 HydrophobicContact CG1-CG 4.24Å; V299-M302 WeakPolarHBondContact O-CB 3.31Å; V299-M302 PolarHBondContact O-N 3.44Å
300	D	95.6	Very high	96.9	Very high	105 Å²	105	66 Å²	66	56%	0.561	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-44.7	-169.5	-65.8	-26.6	0	0	0	115	M302 R303 T304	D300-M302 PolarHBondContact O-N 2.82Å; D300-R303 PolarHBondContact O-N 3.32Å; D300-R303 IonicContact OD1-CZ 2.75Å; D300-R303 IonicContact OD1-NH2 3.08Å; D300-R303 PolarHBondContact OD1-NH2 3.35Å; D300-T304 PolarHBondContact O-N 3.31Å; D300-T304 VanDerWaalsContact O-N 3.1Å; D300-T304 PolarHBondContact O-OG1 3.41Å
301	F	95.6	Very high	97.1	Very high	22 Å²	22	59.8 Å²	59.8	10%	0.096	31%	0.308	C	S	.	.	H	α-helix	trans	-67.2	-22.1	178.4	64.9	-104.5	0	0	0	112.5	L265 M272 A275 M279 V299 R303 T304 D305 C308	L265-F301 HydrophobicContact CD1-CE1 4.26Å; L265-F301 HydrophobicContact CD1-CZ 3.91Å; M272-F301 HydrophobicContact SD-CD1 3.7Å; M272-F301 HydrophobicContact SD-CE1 4.11Å; M272-F301 HydrophobicContact SD-CG 4.44Å; A275-F301 HydrophobicContact CB-CD2 4.09Å; A275-F301 HydrophobicContact CB-CE2 4.34Å; A275-F301 HydrophobicContact CB-CG 4.28Å; M279-F301 HydrophobicContact CE-CE2 3.73Å; M279-F301 HydrophobicContact CE-CZ 3.65Å; M279-F301 HydrophobicContact CG-CE2 3.94Å; M279-F301 HydrophobicContact SD-CE2 4.17Å; V299-F301 HydrophobicContact CG1-CD1 3.64Å; V299-F301 HydrophobicContact CG1-CD2 4.38Å; V299-F301 HydrophobicContact CG1-CE1 3.26Å; V299-F301 HydrophobicContact CG1-CE2 4.05Å; V299-F301 HydrophobicContact CG1-CG 4.18Å; V299-F301 HydrophobicContact CG1-CZ 3.48Å; V299-F301 VanDerWaalsContact CG1-CZ 3.48Å; V299-F301 PolarHBondContact O-N 2.88Å; F301-R303 PolarHBondContact O-N 2.83Å; F301-T304 WeakPolarHBondContact CA-OG1 3.33Å; F301-D305 WeakPolarHBondContact O-CB 3.35Å; F301-D305 PolarHBondContact O-N 3.24Å; F301-C308 WeakPolarHBondContact O-CB 3.34Å
302	M	97.5	Very high	97.1	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-69.2	-16.8	172.7	-64.2	-59.1	-59.6	0	0	112.7	F258 M279 F284 V296 V299 D300 C308 V309	F258-M302 HydrophobicContact CE2-CG 4.1Å; F258-M302 HydrophobicContact CE2-SD 4.05Å; F258-M302 HydrophobicContact CZ-CG 4.17Å; M279-M302 HydrophobicContact CG-SD 4.06Å; M279-M302 HydrophobicContact SD-SD 4.17Å; F284-M302 HydrophobicContact CE1-CE 4.06Å; F284-M302 HydrophobicContact CE2-CE 4.13Å; F284-M302 HydrophobicContact CZ-CE 3.7Å; F284-M302 HydrophobicContact CZ-SD 4.32Å; V296-M302 HydrophobicContact CG1-CE 3.7Å; V296-M302 HydrophobicContact CG1-CG 4.15Å; V299-M302 HydrophobicContact CB-CB 4.44Å; V299-M302 HydrophobicContact CB-CG 3.98Å; V299-M302 HydrophobicContact CG1-CG 4.24Å; V299-M302 WeakPolarHBondContact O-CB 3.31Å; V299-M302 PolarHBondContact O-N 3.44Å; D300-M302 PolarHBondContact O-N 2.82Å; M302-C308 HydrophobicContact CE-CB 4.06Å; M302-C308 HydrophobicContact SD-CB 3.72Å; M302-V309 WeakPolarHBondContact O-CG2 3.44Å
303	R	95.9	Very high	97.1	Very high	137 Å²	137	63 Å²	63	52%	0.517	33%	0.325	S	S	.	.	H	α-helix	trans	-107.8	-15.6	179.2	-63.5	-175.5	-71.1	138.1	-1	114	Q297 D300 F301 V309	Q297-R303 WeakPolarHBondContact O-CD 3.49Å; Q297-R303 PolarHBondContact O-NE 2.95Å; D300-R303 PolarHBondContact O-N 3.32Å; D300-R303 IonicContact OD1-CZ 2.75Å; D300-R303 IonicContact OD1-NH2 3.08Å; D300-R303 PolarHBondContact OD1-NH2 3.35Å; F301-R303 PolarHBondContact O-N 2.83Å; R303-V309 VanDerWaalsContact C-CG2 3.49Å; R303-V309 WeakPolarHBondContact O-CG2 3.36Å
304	T	95.7	Very high	97.1	Very high	112 Å²	112	60.8 Å²	60.8	69%	0.687	31%	0.313	S	S	*	.	H	α-helix	trans	-114.3	-34	-172.7	51.2	0	0	0	0	113	D300 F301	D300-T304 PolarHBondContact O-N 3.31Å; D300-T304 VanDerWaalsContact O-N 3.1Å; D300-T304 PolarHBondContact O-OG1 3.41Å; F301-T304 WeakPolarHBondContact CA-OG1 3.33Å
305	D	97.3	Very high	97.1	Very high	57 Å²	57	56.2 Å²	56.2	31%	0.305	29%	0.288	S	S	.	.	S	Bend	trans	-78.9	126.2	174.3	177.7	-92.3	0	0	0	110.8	F301 T307 C308 V309	F301-D305 WeakPolarHBondContact O-CB 3.35Å; F301-D305 PolarHBondContact O-N 3.24Å; D305-T307 VanDerWaalsContact C-N 3.28Å; D305-T307 PolarHBondContact O-N 3.43Å; D305-T307 WeakPolarHBondContact OD1-CA 3.28Å; D305-T307 WeakPolarHBondContact OD1-CB 3.44Å; D305-T307 PolarHBondContact OD1-N 3.45Å; D305-C308 HydrophobicContact CB-CB 4.13Å; D305-C308 PolarHBondContact O-N 3.02Å; D305-C308 PolarHBondContact OD1-N 3.17Å; D305-C308 PolarHBondContact OD1-SG 2.79Å; D305-V309 VanDerWaalsContact O-CG2 3.29Å; D305-V309 WeakPolarHBondContact O-CG2 3.42Å; D305-V309 PolarHBondContact O-N 3.04Å
306	N	97.4	Very high	97.1	Very high	120 Å²	120	53.4 Å²	53.4	64%	0.642	28%	0.283	S	S	*	.	H	α-helix	trans	-60.9	-34.9	-176.1	-177.4	69.1	0	0	0	112.9	N310	N306-N310 PolarHBondContact ND2-ND2 3.12Å; N306-N310 PolarHBondContact O-N 3.46Å; N306-N310 PolarHBondContact O-ND2 3.31Å
307	T	97.9	Very high	97	Very high	43 Å²	43	57.2 Å²	57.2	26%	0.264	30%	0.304	S	S	.	.	H	α-helix	trans	-67	-52.4	177	-56	0	0	0	0	109.3	A276 K280 D305 V309 N310 L311	A276-T307 HydrophobicContact CB-CG2 4.2Å; K280-T307 HydrophobicContact CD-CG2 4.4Å; K280-T307 HydrophobicContact CG-CG2 4.2Å; D305-T307 VanDerWaalsContact C-N 3.28Å; D305-T307 PolarHBondContact O-N 3.43Å; D305-T307 WeakPolarHBondContact OD1-CA 3.28Å; D305-T307 WeakPolarHBondContact OD1-CB 3.44Å; D305-T307 PolarHBondContact OD1-N 3.45Å; T307-V309 VanDerWaalsContact C-N 3.32Å; T307-V309 PolarHBondContact O-N 2.88Å; T307-N310 WeakPolarHBondContact O-CB 3.37Å; T307-N310 PolarHBondContact O-N 3.1Å; T307-N310 VanDerWaalsContact O-N 3.09Å; T307-L311 WeakPolarHBondContact O-CG 3.39Å; T307-L311 PolarHBondContact O-N 3.09Å
308	C	98.1	Very high	97.1	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-60.8	-39.6	-177.9	-64.1	0	0	0	0	112.7	F301 M302 D305 N310 L311 L312	F301-C308 WeakPolarHBondContact O-CB 3.34Å; M302-C308 HydrophobicContact CE-CB 4.06Å; M302-C308 HydrophobicContact SD-CB 3.72Å; D305-C308 HydrophobicContact CB-CB 4.13Å; D305-C308 PolarHBondContact O-N 3.02Å; D305-C308 PolarHBondContact OD1-N 3.17Å; D305-C308 PolarHBondContact OD1-SG 2.79Å; C308-N310 VanDerWaalsContact C-N 3.32Å; C308-N310 PolarHBondContact O-N 2.84Å; C308-L311 WeakPolarHBondContact O-CB 3.48Å; C308-L311 PolarHBondContact O-N 3.39Å; C308-L312 PolarHBondContact O-N 3.01Å
309	V	98	Very high	97	Very high	41 Å²	41	50.4 Å²	50.4	25%	0.248	27%	0.265	C	S	.	.	H	α-helix	trans	-58.9	-44.1	173.9	170.3	0	0	0	0	110.9	M302 R303 D305 T307 L311 L312 L313	M302-V309 WeakPolarHBondContact O-CG2 3.44Å; R303-V309 VanDerWaalsContact C-CG2 3.49Å; R303-V309 WeakPolarHBondContact O-CG2 3.36Å; D305-V309 VanDerWaalsContact O-CG2 3.29Å; D305-V309 WeakPolarHBondContact O-CG2 3.42Å; D305-V309 PolarHBondContact O-N 3.04Å; T307-V309 VanDerWaalsContact C-N 3.32Å; T307-V309 PolarHBondContact O-N 2.88Å; V309-L311 VanDerWaalsContact C-N 3.34Å; V309-L311 PolarHBondContact O-N 2.97Å; V309-L312 PolarHBondContact O-N 2.87Å; V309-L313 HydrophobicContact CG1-CD1 4Å; V309-L313 HydrophobicContact CG1-CG 4.32Å; V309-L313 WeakPolarHBondContact O-CG 3.36Å; V309-L313 PolarHBondContact O-N 2.64Å
310	N	98.1	Very high	96.9	Very high	81 Å²	81	56.8 Å²	56.8	43%	0.433	30%	0.297	S	S	.	.	H	α-helix	trans	-65	-35.9	177.3	-73.8	-46.3	0	0	0	112.7	N306 T307 C308 L312 L313 E314	N306-N310 PolarHBondContact ND2-ND2 3.12Å; N306-N310 PolarHBondContact O-N 3.46Å; N306-N310 PolarHBondContact O-ND2 3.31Å; T307-N310 WeakPolarHBondContact O-CB 3.37Å; T307-N310 PolarHBondContact O-N 3.1Å; T307-N310 VanDerWaalsContact O-N 3.09Å; C308-N310 VanDerWaalsContact C-N 3.32Å; C308-N310 PolarHBondContact O-N 2.84Å; N310-L312 VanDerWaalsContact C-N 3.33Å; N310-L313 PolarHBondContact O-N 3.41Å; N310-E314 WeakPolarHBondContact O-CB 3.47Å; N310-E314 PolarHBondContact O-N 3.41Å
311	L	98.3	Very high	97	Very high	8 Å²	8	55.6 Å²	55.6	4%	0.042	29%	0.288	C	S	.	.	H	α-helix	trans	-63.3	-40.9	174	-54	174.8	0	0	0	111.2	M279 K280 F284 T307 C308 V309 A315 R332	M279-L311 HydrophobicContact CB-CD1 3.76Å; K280-L311 HydrophobicContact CG-CD1 4.39Å; K280-L311 HydrophobicContact CG-CD2 4.3Å; F284-L311 HydrophobicContact CD2-CB 3.95Å; F284-L311 HydrophobicContact CD2-CD1 4.45Å; F284-L311 HydrophobicContact CE2-CB 4.15Å; F284-L311 HydrophobicContact CE2-CD1 3.96Å; T307-L311 WeakPolarHBondContact O-CG 3.39Å; T307-L311 PolarHBondContact O-N 3.09Å; C308-L311 WeakPolarHBondContact O-CB 3.48Å; C308-L311 PolarHBondContact O-N 3.39Å; V309-L311 VanDerWaalsContact C-N 3.34Å; V309-L311 PolarHBondContact O-N 2.97Å; L311-A315 PolarHBondContact O-N 3.25Å; L311-A315 VanDerWaalsContact O-N 3.14Å; L311-R332 VanDerWaalsContact CD2-CZ 3.43Å
312	L	97.3	Very high	96.9	Very high	20 Å²	20	56.6 Å²	56.6	11%	0.105	30%	0.297	C	S	.	.	H	α-helix	trans	-68.2	-44.1	177.7	-175.8	60.5	0	0	0	111.6	L292 V296 Q297 C308 V309 N310 E314 A315 S316	L292-L312 HydrophobicContact CB-CD1 4.42Å; L292-L312 HydrophobicContact CD2-CD1 4.14Å; V296-L312 HydrophobicContact CG1-CD1 4.1Å; Q297-L312 HydrophobicContact CB-CD2 4.2Å; Q297-L312 HydrophobicContact CG-CD2 4.18Å; C308-L312 PolarHBondContact O-N 3.01Å; V309-L312 PolarHBondContact O-N 2.87Å; N310-L312 VanDerWaalsContact C-N 3.33Å; L312-E314 PolarHBondContact O-N 2.79Å; L312-A315 PolarHBondContact O-N 3.36Å; L312-S316 PolarHBondContact O-N 3.28Å; L312-S316 PolarHBondContact O-OG 3.35Å
313	L	97	Very high	96.9	Very high	90 Å²	90	60.9 Å²	60.9	47%	0.471	31%	0.314	S	S	.	.	H	α-helix	trans	-60.4	-43.7	177.6	-73.6	174.2	0	0	0	112.3	V309 N310 S316 N317	V309-L313 HydrophobicContact CG1-CD1 4Å; V309-L313 HydrophobicContact CG1-CG 4.32Å; V309-L313 WeakPolarHBondContact O-CG 3.36Å; V309-L313 PolarHBondContact O-N 2.64Å; N310-L313 PolarHBondContact O-N 3.41Å; L313-S316 PolarHBondContact O-N 3.1Å; L313-N317 WeakPolarHBondContact O-CB 3.3Å; L313-N317 PolarHBondContact O-N 3.44Å; L313-N317 PolarHBondContact O-ND2 3.05Å
314	E	97.6	Very high	96.9	Very high	51 Å²	51	56 Å²	56	24%	0.238	30%	0.298	C	S	.	.	H	α-helix	trans	-59.4	-48.1	173.8	176.6	-156.7	-149.1	0	0	111.3	P285 N310 L312 S316 N317 Y318 R332	P285-E314 HydrophobicContact CG-CG 4.41Å; N310-E314 WeakPolarHBondContact O-CB 3.47Å; N310-E314 PolarHBondContact O-N 3.41Å; L312-E314 PolarHBondContact O-N 2.79Å; E314-S316 PolarHBondContact O-N 3.06Å; E314-N317 PolarHBondContact O-N 2.97Å; E314-Y318 VanDerWaalsContact O-CB 3.29Å; E314-Y318 WeakPolarHBondContact O-CB 3.47Å; E314-Y318 PolarHBondContact O-N 2.8Å; E314-R332 IonicContact OE1-CZ 2.86Å; E314-R332 IonicContact OE1-NH2 2.61Å; E314-R332 PolarHBondContact OE1-NH2 3.47Å; E314-R332 VanDerWaalsContact OE1-NH2 3.08Å; E314-R332 IonicContact OE2-CZ 3.39Å; E314-R332 IonicContact OE2-NE 3.8Å; E314-R332 IonicContact OE2-NH1 2.78Å; E314-R332 PolarHBondContact OE2-NH1 3.43Å; E314-R332 IonicContact OE2-NH2 3.11Å; E314-R332 PolarHBondContact OE2-NH2 2.86Å
315	A	97.8	Very high	97	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-61	-44.4	179.4	0	0	0	0	0	112.1	F284 P285 L292 L311 L312 Y318 Q319	F284-A315 HydrophobicContact CB-CB 3.55Å; P285-A315 HydrophobicContact CG-CB 4.25Å; L292-A315 HydrophobicContact CD1-CB 3.91Å; L292-A315 HydrophobicContact CD2-CB 4.07Å; L311-A315 PolarHBondContact O-N 3.25Å; L311-A315 VanDerWaalsContact O-N 3.14Å; L312-A315 PolarHBondContact O-N 3.36Å; A315-Y318 PolarHBondContact O-N 3.03Å; A315-Q319 WeakPolarHBondContact O-CB 3.35Å; A315-Q319 WeakPolarHBondContact O-CG 3.34Å; A315-Q319 PolarHBondContact O-N 2.92Å
316	S	96.2	Very high	97	Very high	43 Å²	43	48.5 Å²	48.5	30%	0.301	25%	0.253	S	S	.	.	H	α-helix	trans	-60.2	-48.8	175	-64.3	0	0	0	0	111.7	L312 L313 E314 Y318 Q319 M320	L312-S316 PolarHBondContact O-N 3.28Å; L312-S316 PolarHBondContact O-OG 3.35Å; L313-S316 PolarHBondContact O-N 3.1Å; E314-S316 PolarHBondContact O-N 3.06Å; S316-Y318 VanDerWaalsContact C-N 3.34Å; S316-Y318 PolarHBondContact O-N 3.02Å; S316-Q319 PolarHBondContact O-N 3.33Å; S316-M320 WeakPolarHBondContact O-CB 3.29Å; S316-M320 VanDerWaalsContact O-CG 3.25Å; S316-M320 WeakPolarHBondContact O-CG 3.48Å; S316-M320 PolarHBondContact O-N 3.15Å
317	N	96.5	Very high	97	Very high	79 Å²	79	44.8 Å²	44.8	42%	0.422	24%	0.235	S	C	.	.	H	α-helix	trans	-60.8	-43.5	178.4	-73.3	-23.1	0	0	0	111.9	L313 E314 Q319 M320 M321	L313-N317 WeakPolarHBondContact O-CB 3.3Å; L313-N317 PolarHBondContact O-N 3.44Å; L313-N317 PolarHBondContact O-ND2 3.05Å; E314-N317 PolarHBondContact O-N 2.97Å; N317-Q319 VanDerWaalsContact C-N 3.35Å; N317-Q319 PolarHBondContact O-N 3.09Å; N317-M320 PolarHBondContact O-N 2.89Å; N317-M321 WeakPolarHBondContact O-CG 3.45Å; N317-M321 PolarHBondContact O-N 2.94Å
318	Y	97.3	Very high	96.9	Very high	3 Å²	3	45.4 Å²	45.4	1%	0.012	24%	0.235	C	C	.	.	H	α-helix	trans	-63	-40.8	179	-174.5	-85.1	0	0	0	112.1	P285 E314 A315 S316 Q325 M328 Q329 T333 R417	P285-Y318 HydrophobicContact CB-CD1 3.87Å; P285-Y318 HydrophobicContact CB-CE1 4.46Å; P285-Y318 HydrophobicContact CB-CG 3.94Å; E314-Y318 VanDerWaalsContact O-CB 3.29Å; E314-Y318 WeakPolarHBondContact O-CB 3.47Å; E314-Y318 PolarHBondContact O-N 2.8Å; A315-Y318 PolarHBondContact O-N 3.03Å; S316-Y318 VanDerWaalsContact C-N 3.34Å; S316-Y318 PolarHBondContact O-N 3.02Å; Y318-Q325 HydrophobicContact CD1-CG 3.98Å; Y318-Q325 HydrophobicContact CD2-CG 4.36Å; Y318-Q325 HydrophobicContact CE1-CB 4.07Å; Y318-Q325 VanDerWaalsContact CE1-CD 3.47Å; Y318-Q325 HydrophobicContact CE1-CG 3.5Å; Y318-Q325 HydrophobicContact CE2-CB 3.99Å; Y318-Q325 HydrophobicContact CE2-CG 3.98Å; Y318-Q325 HydrophobicContact CG-CG 4.38Å; Y318-Q325 WeakPolarHBondContact O-CG 3.36Å; Y318-Q325 PolarHBondContact O-NE2 3.21Å; Y318-M328 HydrophobicContact CD2-CB 3.98Å; Y318-M328 HydrophobicContact CD2-CE 4.34Å; Y318-M328 HydrophobicContact CE2-CB 4.01Å; Y318-M328 WeakPolarHBondContact CE2-O 3.45Å; Y318-Q329 PolarHBondContact OH-NE2 3.32Å; Y318-Q329 VanDerWaalsContact OH-NE2 3.14Å; Y318-T333 HydrophobicContact CD2-CG2 3.6Å; Y318-T333 HydrophobicContact CE2-CG2 3.42Å; Y318-T333 VanDerWaalsContact CE2-CG2 3.42Å; Y318-T333 HydrophobicContact CG-CG2 4.28Å; Y318-R417 PolarHBondContact OH-NH1 2.82Å
319	Q	95.6	Very high	96.7	Very high	35 Å²	35	48.8 Å²	48.8	16%	0.164	25%	0.251	C	S	.	.	H	α-helix	trans	-73.9	-30.3	177.7	-72.2	-65.3	-35.1	0	0	113	P285 M287 P289 L292 A315 S316 N317 M321	P285-Q319 PolarHBondContact O-NE2 3.26Å; M287-Q319 PolarHBondContact O-NE2 3.14Å; P289-Q319 HydrophobicContact CG-CB 4.19Å; L292-Q319 HydrophobicContact CD1-CG 4.25Å; A315-Q319 WeakPolarHBondContact O-CB 3.35Å; A315-Q319 WeakPolarHBondContact O-CG 3.34Å; A315-Q319 PolarHBondContact O-N 2.92Å; S316-Q319 PolarHBondContact O-N 3.33Å; N317-Q319 VanDerWaalsContact C-N 3.35Å; N317-Q319 PolarHBondContact O-N 3.09Å; Q319-M321 VanDerWaalsContact C-N 3.3Å; Q319-M321 PolarHBondContact O-N 3.26Å
320	M	95.4	Very high	96.6	Very high	146 Å²	146	49 Å²	49	72%	0.719	25%	0.254	S	S	*	.	H	α-helix	trans	-73.5	-17.9	176.6	-75.6	177.9	64.6	0	0	114	S316 N317 P322	S316-M320 WeakPolarHBondContact O-CB 3.29Å; S316-M320 VanDerWaalsContact O-CG 3.25Å; S316-M320 WeakPolarHBondContact O-CG 3.48Å; S316-M320 PolarHBondContact O-N 3.15Å; N317-M320 PolarHBondContact O-N 2.89Å; M320-P322 WeakPolarHBondContact O-CD 3.46Å
321	M	95.8	Very high	96.4	Very high	79 Å²	79	53.3 Å²	53.3	39%	0.389	27%	0.272	S	S	.	.			trans	-117.4	63.2	-175.5	-58.4	-177.9	-177.7	0	0	111.9	N317 Q319 Y323 M324 Q325 M328	N317-M321 WeakPolarHBondContact O-CG 3.45Å; N317-M321 PolarHBondContact O-N 2.94Å; Q319-M321 VanDerWaalsContact C-N 3.3Å; Q319-M321 PolarHBondContact O-N 3.26Å; M321-Y323 VanDerWaalsContact C-N 3.27Å; M321-Y323 PolarHBondContact O-N 3.23Å; M321-Y323 VanDerWaalsContact O-N 3.15Å; M321-M324 HydrophobicContact CB-CB 3.98Å; M321-M324 HydrophobicContact CB-CG 4.44Å; M321-M324 HydrophobicContact CB-SD 4.43Å; M321-M324 PolarHBondContact O-N 3.11Å; M321-M324 HydrophobicContact SD-CE 4.19Å; M321-M324 HydrophobicContact SD-SD 3.81Å; M321-Q325 WeakPolarHBondContact O-CG 3.48Å; M321-Q325 PolarHBondContact O-N 2.59Å; M321-M328 HydrophobicContact CB-SD 4.33Å; M321-M328 HydrophobicContact SD-CE 4.49Å; M321-M328 HydrophobicContact SD-SD 4.33Å
322	P	95	Very high	96.2	Very high	44 Å²	44	55.7 Å²	55.7	29%	0.286	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-39.1	-170.7	22.4	-34	0	0	0	112.9	M320 M324 Q325 R413 M422	M320-P322 WeakPolarHBondContact O-CD 3.46Å; P322-M324 PolarHBondContact O-N 3.49Å; P322-Q325 WeakPolarHBondContact O-CB 3.33Å; P322-Q325 WeakPolarHBondContact O-CG 3.44Å; P322-R413 VanDerWaalsContact O-CZ 3.3Å; P322-R413 PolarHBondContact O-NH1 3.14Å; P322-R413 PolarHBondContact O-NH2 2.68Å; P322-M422 HydrophobicContact CB-CE 4.34Å
323	Y	96.8	Very high	96.1	Very high	90 Å²	90	54.8 Å²	54.8	35%	0.353	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-30.7	179.7	-50.3	-61.1	0	0	0	113.5	M321 P326 M422 V424 P463 N466	M321-Y323 VanDerWaalsContact C-N 3.27Å; M321-Y323 PolarHBondContact O-N 3.23Å; M321-Y323 VanDerWaalsContact O-N 3.15Å; Y323-P326 WeakPolarHBondContact O-CD 3.42Å; Y323-M422 HydrophobicContact CD1-CE 3.95Å; Y323-M422 HydrophobicContact CE1-CE 3.56Å; Y323-V424 HydrophobicContact CD1-CG1 4.07Å; Y323-V424 HydrophobicContact CE1-CG1 4.34Å; Y323-P463 CarbonylContact C-O 3.53Å; Y323-P463 VanDerWaalsContact C-O 3.26Å; Y323-P463 WeakPolarHBondContact CB-O 3.35Å; Y323-P463 WeakPolarHBondContact O-CB 3.45Å; Y323-N466 HydrophobicContact CD1-CB 4.18Å; Y323-N466 HydrophobicContact CD2-CB 3.88Å; Y323-N466 HydrophobicContact CE2-CB 4.37Å; Y323-N466 HydrophobicContact CG-CB 3.78Å
324	M	96.9	Very high	96	Very high	34 Å²	34	52.3 Å²	52.3	17%	0.167	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-17.8	-179.4	-73.3	-176.8	56.5	0	0	114.2	M321 P322 P326 V327 M328 R464	M321-M324 HydrophobicContact CB-CB 3.98Å; M321-M324 HydrophobicContact CB-CG 4.44Å; M321-M324 HydrophobicContact CB-SD 4.43Å; M321-M324 PolarHBondContact O-N 3.11Å; M321-M324 HydrophobicContact SD-CE 4.19Å; M321-M324 HydrophobicContact SD-SD 3.81Å; P322-M324 PolarHBondContact O-N 3.49Å; M324-P326 WeakPolarHBondContact O-CD 3.11Å; M324-V327 HydrophobicContact CB-CG2 4.44Å; M324-V327 WeakPolarHBondContact O-CG2 3.44Å; M324-V327 PolarHBondContact O-N 3.22Å; M324-M328 HydrophobicContact CB-CG 4.19Å; M324-M328 HydrophobicContact CB-SD 3.52Å; M324-M328 VanDerWaalsContact CB-SD 3.52Å; M324-M328 HydrophobicContact CE-CG 4.46Å; M324-M328 HydrophobicContact CE-SD 4.06Å; M324-M328 WeakPolarHBondContact O-CG 3.45Å; M324-M328 PolarHBondContact O-N 2.87Å; M324-R464 HydrophobicContact CE-CG 4.09Å; M324-R464 VanDerWaalsContact CE-NH1 3.28Å; M324-R464 HydrophobicContact CG-CB 4.2Å; M324-R464 HydrophobicContact CG-CG 4.19Å; M324-R464 HydrophobicContact SD-CB 4.2Å; M324-R464 HydrophobicContact SD-CG 4.28Å
325	Q	97.1	Very high	95.7	Very high	8 Å²	8	50.2 Å²	50.2	4%	0.037	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-42	-45	179.3	-68.9	179.8	-11.5	0	0	114.1	Y318 M321 P322 V327 M328 Q329 F390	Y318-Q325 HydrophobicContact CD1-CG 3.98Å; Y318-Q325 HydrophobicContact CD2-CG 4.36Å; Y318-Q325 HydrophobicContact CE1-CB 4.07Å; Y318-Q325 VanDerWaalsContact CE1-CD 3.47Å; Y318-Q325 HydrophobicContact CE1-CG 3.5Å; Y318-Q325 HydrophobicContact CE2-CB 3.99Å; Y318-Q325 HydrophobicContact CE2-CG 3.98Å; Y318-Q325 HydrophobicContact CG-CG 4.38Å; Y318-Q325 WeakPolarHBondContact O-CG 3.36Å; Y318-Q325 PolarHBondContact O-NE2 3.21Å; M321-Q325 WeakPolarHBondContact O-CG 3.48Å; M321-Q325 PolarHBondContact O-N 2.59Å; P322-Q325 WeakPolarHBondContact O-CB 3.33Å; P322-Q325 WeakPolarHBondContact O-CG 3.44Å; Q325-V327 PolarHBondContact O-N 3.4Å; Q325-V327 VanDerWaalsContact O-N 3.13Å; Q325-M328 PolarHBondContact O-N 3.25Å; Q325-Q329 PolarHBondContact O-NE2 2.92Å; Q325-F390 HydrophobicContact CB-CE2 4.31Å; Q325-F390 HydrophobicContact CB-CZ 3.9Å
326	P	97	Very high	95.4	Very high	4 Å²	4	50.7 Å²	50.7	3%	0.026	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-60.4	-26.5	-179.5	-26.2	39.9	0	0	0	114.6	Y323 M324 I387 G388 F390 Y392 R413	Y323-P326 WeakPolarHBondContact O-CD 3.42Å; M324-P326 WeakPolarHBondContact O-CD 3.11Å; P326-I387 HydrophobicContact CB-CB 3.95Å; P326-I387 HydrophobicContact CB-CG2 3.65Å; P326-I387 WeakPolarHBondContact CB-O 3.42Å; P326-G388 WeakPolarHBondContact O-CA 3.33Å; P326-F390 HydrophobicContact CB-CB 4.45Å; P326-F390 HydrophobicContact CB-CD2 3.8Å; P326-F390 HydrophobicContact CB-CE2 4.4Å; P326-F390 HydrophobicContact CB-CG 4.32Å; P326-F390 HydrophobicContact CG-CB 4.13Å; P326-F390 HydrophobicContact CG-CD1 4.45Å; P326-F390 HydrophobicContact CG-CD2 3.66Å; P326-F390 HydrophobicContact CG-CE2 4.15Å; P326-F390 HydrophobicContact CG-CG 3.84Å; P326-Y392 HydrophobicContact CG-CE2 4.33Å; P326-Y392 WeakPolarHBondContact CG-OH 3.28Å; P326-R413 VanDerWaalsContact CD-NH1 3.3Å; P326-R413 VanDerWaalsContact CG-NH1 3.32Å
327	V	97.1	Very high	95.2	Very high	41 Å²	41	49.5 Å²	49.5	25%	0.248	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-103.1	4.6	177.9	-61.1	0	0	0	0	113.1	M324 Q325 I387 G441 P463 R464	M324-V327 HydrophobicContact CB-CG2 4.44Å; M324-V327 WeakPolarHBondContact O-CG2 3.44Å; M324-V327 PolarHBondContact O-N 3.22Å; Q325-V327 PolarHBondContact O-N 3.4Å; Q325-V327 VanDerWaalsContact O-N 3.13Å; V327-I387 HydrophobicContact CG1-CG2 4.05Å; V327-G441 WeakPolarHBondContact CG1-O 3.39Å; V327-P463 HydrophobicContact CG1-CB 4.39Å; V327-P463 HydrophobicContact CG1-CG 4.16Å; V327-R464 HydrophobicContact CG2-CG 4.43Å
328	M	96	Very high	94.8	Very high	56 Å²	56	51.1 Å²	51.1	28%	0.276	26%	0.26	S	S	.	.	S	Bend	trans	-111.3	37.2	178.3	-65.1	174.2	66.3	0	0	111.2	Y318 M321 M324 Q325	Y318-M328 HydrophobicContact CD2-CB 3.98Å; Y318-M328 HydrophobicContact CD2-CE 4.34Å; Y318-M328 HydrophobicContact CE2-CB 4.01Å; Y318-M328 WeakPolarHBondContact CE2-O 3.45Å; M321-M328 HydrophobicContact CB-SD 4.33Å; M321-M328 HydrophobicContact SD-CE 4.49Å; M321-M328 HydrophobicContact SD-SD 4.33Å; M324-M328 HydrophobicContact CB-CG 4.19Å; M324-M328 HydrophobicContact CB-SD 3.52Å; M324-M328 VanDerWaalsContact CB-SD 3.52Å; M324-M328 HydrophobicContact CE-CG 4.46Å; M324-M328 HydrophobicContact CE-SD 4.06Å; M324-M328 WeakPolarHBondContact O-CG 3.45Å; M324-M328 PolarHBondContact O-N 2.87Å; Q325-M328 PolarHBondContact O-N 3.25Å
329	Q	94.9	Very high	94.5	Very high	71 Å²	71	53 Å²	53	33%	0.332	27%	0.274	S	S	.	.			trans	-79.2	136.2	-175.6	-66.1	-54.8	-61.3	0	0	113	Y318 Q325 T333	Y318-Q329 PolarHBondContact OH-NE2 3.32Å; Y318-Q329 VanDerWaalsContact OH-NE2 3.14Å; Q325-Q329 PolarHBondContact O-NE2 2.92Å; Q329-T333 VanDerWaalsContact CA-OG1 3.31Å; Q329-T333 WeakPolarHBondContact CA-OG1 3.44Å; Q329-T333 PolarHBondContact OE1-OG1 3.49Å
330	S	94.9	Very high	94.4	Very high	46 Å²	46	53.7 Å²	53.7	32%	0.322	28%	0.281	S	S	.	.			trans	-142.5	171.8	169.3	81.6	0	0	0	0	109.6	R332 T333 A334	S330-R332 PolarHBondContact O-N 3.47Å; S330-R332 PolarHBondContact OG-N 2.92Å; S330-R332 VanDerWaalsContact OG-N 3.16Å; S330-T333 PolarHBondContact N-OG1 3.15Å; S330-T333 PolarHBondContact O-N 3.44Å; S330-T333 PolarHBondContact O-OG1 3.27Å; S330-T333 VanDerWaalsContact O-OG1 3.07Å; S330-A334 PolarHBondContact O-N 3.31Å
331	E	92.9	Very high	94.3	Very high	171 Å²	171	46.9 Å²	46.9	80%	0.799	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-24.9	173.2	-64.3	-177.7	164.9	0	0	112.8	R283	R283-E331 PolarHBondContact NE-O 3.29Å
332	R	95.4	Very high	94.4	Very high	59 Å²	59	43.2 Å²	43.2	22%	0.223	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-4.7	-179.5	-62.7	-169.3	-67	121.3	0.5	114.2	K280 R283 L311 E314 S330	K280-R332 VanDerWaalsContact O-CD 3.29Å; K280-R332 WeakPolarHBondContact O-CD 3.42Å; R283-R332 WeakPolarHBondContact CB-O 3.42Å; L311-R332 VanDerWaalsContact CD2-CZ 3.43Å; E314-R332 IonicContact OE1-CZ 2.86Å; E314-R332 IonicContact OE1-NH2 2.61Å; E314-R332 PolarHBondContact OE1-NH2 3.47Å; E314-R332 VanDerWaalsContact OE1-NH2 3.08Å; E314-R332 IonicContact OE2-CZ 3.39Å; E314-R332 IonicContact OE2-NE 3.8Å; E314-R332 IonicContact OE2-NH1 2.78Å; E314-R332 PolarHBondContact OE2-NH1 3.43Å; E314-R332 IonicContact OE2-NH2 3.11Å; E314-R332 PolarHBondContact OE2-NH2 2.86Å; S330-R332 PolarHBondContact O-N 3.47Å; S330-R332 PolarHBondContact OG-N 2.92Å; S330-R332 VanDerWaalsContact OG-N 3.16Å
333	T	95.3	Very high	94.4	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.006	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-8.7	171.3	68.1	0	0	0	0	112.4	P285 L286 Y318 Q329 S330	P285-T333 HydrophobicContact CB-CG2 3.84Å; P285-T333 HydrophobicContact CG-CG2 4.09Å; L286-T333 VanDerWaalsContact CD2-O 3.28Å; L286-T333 WeakPolarHBondContact CD2-O 3.45Å; Y318-T333 HydrophobicContact CD2-CG2 3.6Å; Y318-T333 HydrophobicContact CE2-CG2 3.42Å; Y318-T333 VanDerWaalsContact CE2-CG2 3.42Å; Y318-T333 HydrophobicContact CG-CG2 4.28Å; Q329-T333 VanDerWaalsContact CA-OG1 3.31Å; Q329-T333 WeakPolarHBondContact CA-OG1 3.44Å; Q329-T333 PolarHBondContact OE1-OG1 3.49Å; S330-T333 PolarHBondContact N-OG1 3.15Å; S330-T333 PolarHBondContact O-N 3.44Å; S330-T333 PolarHBondContact O-OG1 3.27Å; S330-T333 VanDerWaalsContact O-OG1 3.07Å
334	A	93.6	Very high	94.4	Very high	37 Å²	37	37.2 Å²	37.2	31%	0.306	20%	0.201	S	C	.	.	S	Bend	trans	-81.7	148.4	179.1	0	0	0	0	0	112	R283 L286 S330	R283-A334 WeakPolarHBondContact CD-O 3.25Å; R283-A334 PolarHBondContact NH1-O 2.99Å; L286-A334 WeakPolarHBondContact CD1-O 3.41Å; S330-A334 PolarHBondContact O-N 3.31Å
335	I	92	Very high	94.3	Very high	8 Å²	8	35.7 Å²	35.7	4%	0.041	19%	0.194	C	C	.	.			trans	-58.8	145.6	173.1	-64.9	173.3	0	0	0	110.2	R283 S337 P416 R417 T635 F637	R283-I335 PolarHBondContact NH1-O 3.02Å; I335-S337 PolarHBondContact O-N 3.3Å; I335-P416 HydrophobicContact CD1-CB 3.94Å; I335-P416 HydrophobicContact CD1-CG 3.97Å; I335-R417 HydrophobicContact CD1-CB 4.36Å; I335-R417 HydrophobicContact CD1-CG 3.72Å; I335-R417 HydrophobicContact CG1-CB 4.23Å; I335-R417 HydrophobicContact CG1-CG 3.43Å; I335-R417 VanDerWaalsContact CG1-CG 3.43Å; I335-T635 HydrophobicContact CB-CG2 4.5Å; I335-T635 WeakPolarHBondContact CD1-O 3.43Å; I335-F637 HydrophobicContact CG2-CD1 4.43Å; I335-F637 HydrophobicContact CG2-CD2 3.81Å; I335-F637 HydrophobicContact CG2-CE1 3.95Å; I335-F637 HydrophobicContact CG2-CE2 3.27Å; I335-F637 HydrophobicContact CG2-CG 4.36Å; I335-F637 HydrophobicContact CG2-CZ 3.34Å
336	R	91.8	Very high	94.1	Very high	10 Å²	10	35.4 Å²	35.4	4%	0.038	19%	0.193	C	C	.	.	S	Bend	trans	-77.1	61.1	176.6	-155.7	172.8	-136.3	-76.6	-39.4	111.5	V243 L244 S245 S246 N247 E254 R283 F637	V243-R336 PolarHBondContact O-NH1 3.2Å; V243-R336 PolarHBondContact O-NH2 2.92Å; L244-R336 PolarHBondContact O-NH2 3.03Å; S245-R336 PolarHBondContact O-NH2 3.41Å; S246-R336 PolarHBondContact O-NH1 3.3Å; S246-R336 PolarHBondContact O-NH2 3Å; S246-R336 VanDerWaalsContact O-NH2 3.08Å; N247-R336 CarbonylContact O-C 3.51Å; E254-R336 IonicContact OE1-NE 3.4Å; R283-R336 VanDerWaalsContact NH1-N 3.19Å; R336-F637 HydrophobicContact CB-CZ 4.34Å; R336-F637 WeakPolarHBondContact O-CE1 3.4Å
337	S	91.3	Very high	93.8	Very high	18 Å²	18	35.2 Å²	35.2	13%	0.126	19%	0.192	C	C	.	.			trans	-159.5	137.6	-178.2	-177.1	0	0	0	0	109.9	N247 I335 S339 T635	N247-S337 WeakPolarHBondContact O-CA 3.43Å; I335-S337 PolarHBondContact O-N 3.3Å; S337-S339 VanDerWaalsContact OG-CB 3.32Å; S337-S339 WeakPolarHBondContact OG-CB 3.22Å; S337-S339 PolarHBondContact OG-N 3.48Å; S337-T635 WeakPolarHBondContact O-CG2 3.28Å
338	D	89.8	Confident	93.4	Very high	112 Å²	112	33.5 Å²	33.5	60%	0.599	18%	0.181	S	C	*	.			trans	-94.9	-1.2	167.7	-59	-49.7	0	0	0	111.9	N247 T340	N247-D338 WeakPolarHBondContact CB-OD1 3.39Å; N247-D338 WeakPolarHBondContact CB-OD2 3.4Å; N247-D338 PolarHBondContact ND2-OD1 2.69Å; D338-T340 PolarHBondContact O-N 3.12Å
339	S	89.6	Confident	92.9	Very high	42 Å²	42	32.3 Å²	32.3	29%	0.294	18%	0.176	S	C	.	.			trans	-78.4	109.2	-175.7	-158.7	0	0	0	0	110.1	S337 H341 T635	S337-S339 VanDerWaalsContact OG-CB 3.32Å; S337-S339 WeakPolarHBondContact OG-CB 3.22Å; S337-S339 PolarHBondContact OG-N 3.48Å; S339-H341 PolarHBondContact OG-CE1 3.37Å; S339-H341 PolarHBondContact OG-NE2 2.91Å; S339-T635 WeakPolarHBondContact O-CA 3.19Å; S339-T635 WeakPolarHBondContact O-CG2 3.38Å
340	T	93.3	Very high	91.8	Very high	51 Å²	51	33.2 Å²	33.2	31%	0.313	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	141.7	171.9	-59.5	0	0	0	0	108.4	D338 F585 T633 T635	D338-T340 PolarHBondContact O-N 3.12Å; T340-F585 HydrophobicContact CG2-CD2 4.34Å; T340-F585 HydrophobicContact CG2-CE2 4.17Å; T340-F585 WeakPolarHBondContact O-CE2 3.35Å; T340-F585 WeakPolarHBondContact O-CZ 3.36Å; T340-T633 HydrophobicContact CG2-CG2 4.4Å; T340-T635 PolarHBondContact OG1-OG1 3.26Å
341	H	94.8	Very high	90.7	Very high	3 Å²	3	40 Å²	40	1%	0.014	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	150.1	-174.2	-62.9	-66.9	0	0	0	111.4	S339 V343 M361 Y362 E364 T633 L634	S339-H341 PolarHBondContact OG-CE1 3.37Å; S339-H341 PolarHBondContact OG-NE2 2.91Å; H341-V343 PolarHBondContact O-N 2.95Å; H341-M361 HydrophobicContact CB-CB 4.47Å; H341-M361 HydrophobicContact CB-CE 3.79Å; H341-M361 VanDerWaalsContact CD2-CE 3.46Å; H341-M361 WeakPolarHBondContact CD2-CE 3.5Å; H341-M361 WeakPolarHBondContact ND1-CE 3.33Å; H341-Y362 PolarHBondContact ND1-O 3.3Å; H341-E364 IonicContact CE1-OE2 3.13Å; H341-E364 PolarHBondContact CE1-OE2 2.91Å; H341-E364 IonicContact ND1-OE1 3.98Å; H341-E364 PolarHBondContact ND1-OE1 3.3Å; H341-E364 IonicContact ND1-OE2 2.88Å; H341-E364 PolarHBondContact ND1-OE2 2.92Å; H341-E364 VanDerWaalsContact ND1-OE2 3.08Å; H341-T633 VanDerWaalsContact O-CA 3.28Å; H341-T633 WeakPolarHBondContact O-CA 3.49Å; H341-L634 PolarHBondContact N-O 3.32Å; H341-L634 PolarHBondContact O-N 2.76Å
342	L	95.9	Very high	89.8	Confident	2 Å²	2	37.2 Å²	37.2	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	125	165.3	-179.5	66.3	0	0	0	109.2	M361 Y362 W369 A583 Y590 V592 F620 A631	L342-M361 CarbonylContact O-C 3.52Å; L342-M361 WeakPolarHBondContact O-CA 3.45Å; L342-Y362 PolarHBondContact O-N 3.37Å; L342-W369 HydrophobicContact CD2-CH2 3.85Å; L342-W369 HydrophobicContact CD2-CZ2 4.41Å; L342-W369 HydrophobicContact CG-CH2 4.14Å; L342-A583 HydrophobicContact CD1-CB 3.37Å; L342-Y590 HydrophobicContact CD2-CD1 4.32Å; L342-V592 HydrophobicContact CD2-CG2 4.19Å; L342-F620 HydrophobicContact CD2-CE2 4.19Å; L342-F620 HydrophobicContact CD2-CZ 4.08Å; L342-A631 HydrophobicContact CD1-CB 4.38Å
343	V	96.7	Very high	89.1	Confident	2 Å²	2	39.5 Å²	39.5	1%	0.012	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	136.2	-179.9	177.6	0	0	0	0	109.8	H341 L359 R360 M361 A631 C632 L634	H341-V343 PolarHBondContact O-N 2.95Å; V343-L359 HydrophobicContact CG1-CD1 3.4Å; V343-L359 VanDerWaalsContact CG1-CD1 3.4Å; V343-L359 HydrophobicContact CG1-CG 4.04Å; V343-R360 CarbonylContact C-O 3.57Å; V343-R360 VanDerWaalsContact CA-O 3.29Å; V343-R360 WeakPolarHBondContact CA-O 3.45Å; V343-M361 HydrophobicContact CG2-CB 4.05Å; V343-A631 CarbonylContact O-C 3.44Å; V343-A631 WeakPolarHBondContact O-CA 3.23Å; V343-C632 PolarHBondContact N-O 3.11Å; V343-C632 PolarHBondContact O-N 2.64Å; V343-L634 HydrophobicContact CB-CD1 4.34Å; V343-L634 HydrophobicContact CG1-CD1 4.2Å; V343-L634 HydrophobicContact CG2-CB 3.99Å; V343-L634 HydrophobicContact CG2-CD1 4.15Å; V343-L634 HydrophobicContact CG2-CG 4.29Å
344	T	95.4	Very high	88.7	Confident	5 Å²	5	42.9 Å²	42.9	3%	0.031	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	148.2	177.8	61.4	0	0	0	0	111.4	L359 R360 W369 V592 L622 I629 R630 A631	T344-L359 WeakPolarHBondContact O-CA 3.46Å; T344-R360 PolarHBondContact N-O 2.99Å; T344-R360 PolarHBondContact O-N 3.25Å; T344-W369 HydrophobicContact CG2-CH2 3.41Å; T344-W369 VanDerWaalsContact CG2-CH2 3.41Å; T344-W369 HydrophobicContact CG2-CZ2 4.43Å; T344-W369 HydrophobicContact CG2-CZ3 3.64Å; T344-W369 WeakPolarHBondContact OG1-CZ3 3.45Å; T344-V592 HydrophobicContact CG2-CG1 3.74Å; T344-L622 HydrophobicContact CG2-CD2 4.36Å; T344-I629 HydrophobicContact CG2-CD1 4.24Å; T344-R630 CarbonylContact C-O 3.58Å; T344-R630 VanDerWaalsContact CA-O 3.23Å; T344-R630 WeakPolarHBondContact CA-O 3.41Å; T344-A631 HydrophobicContact CG2-CB 4.15Å
345	L	95.1	Very high	88.6	Confident	3 Å²	3	41.9 Å²	41.9	2%	0.016	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	136.3	-178.1	179	70.8	0	0	0	112	E358 L359 M375 I384 V393 W421 R630	L345-E358 WeakPolarHBondContact CA-O 3.34Å; L345-L359 HydrophobicContact CB-CD1 3.96Å; L345-L359 HydrophobicContact CD1-CB 3.99Å; L345-L359 HydrophobicContact CD1-CD1 3.94Å; L345-L359 HydrophobicContact CG-CD1 4.42Å; L345-M375 HydrophobicContact CD1-CG 4Å; L345-M375 HydrophobicContact CD1-SD 3.89Å; L345-M375 HydrophobicContact CD2-SD 3.89Å; L345-M375 HydrophobicContact CG-SD 4.32Å; L345-I384 HydrophobicContact CD2-CG2 4.41Å; L345-V393 HydrophobicContact CD2-CB 4.21Å; L345-V393 HydrophobicContact CD2-CG1 3.97Å; L345-V393 HydrophobicContact CD2-CG2 3.17Å; L345-W421 HydrophobicContact CD1-CH2 4.43Å; L345-W421 HydrophobicContact CD1-CZ2 4.33Å; L345-W421 HydrophobicContact CD2-CH2 4.19Å; L345-R630 PolarHBondContact N-O 2.69Å; L345-R630 PolarHBondContact O-N 3.13Å; L345-R630 VanDerWaalsContact O-N 3.09Å
346	G	92.3	Very high	88.6	Confident	2 Å²	2	42 Å²	42	2%	0.021	22%	0.218	C	C	.	.			trans	64.3	-144.7	164.2	0	0	0	0	0	113.3	S356 E358 R379	G346-S356 WeakPolarHBondContact CA-O 3.4Å; G346-E358 PolarHBondContact N-O 2.9Å; G346-R379 WeakPolarHBondContact CA-O 3.42Å
347	G	90.9	Very high	88.6	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.234	C	C	.	.			trans	96.8	-179	-173.7	0	0	0	0	0	112.5	V355 S356 R379 G627	G347-V355 CarbonylContact O-C 3.59Å; G347-V355 WeakPolarHBondContact O-CA 3.42Å; G347-V355 WeakPolarHBondContact O-CG1 3.12Å; G347-S356 PolarHBondContact O-N 2.72Å; G347-R379 PolarHBondContact N-O 3.27Å; G347-G627 CarbonylContact C-O 3.45Å; G347-G627 WeakPolarHBondContact CA-O 3.49Å
348	V	90.3	Very high	88.8	Confident	4 Å²	4	47.3 Å²	47.3	2%	0.024	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	133.4	-173.4	70.3	0	0	0	0	112	R350 V354 V355 Y380 Y400 M602 G627	V348-R350 PolarHBondContact O-N 3.14Å; V348-V354 WeakPolarHBondContact CA-O 3.36Å; V348-V354 WeakPolarHBondContact CG2-O 3.35Å; V348-V355 HydrophobicContact CB-CG2 4.38Å; V348-V355 HydrophobicContact CG2-CG2 3.94Å; V348-Y380 HydrophobicContact CB-CD2 4.21Å; V348-Y380 HydrophobicContact CB-CG 4.13Å; V348-Y380 HydrophobicContact CG1-CD2 4Å; V348-Y380 HydrophobicContact CG1-CG 4.42Å; V348-Y400 HydrophobicContact CG1-CD2 4.14Å; V348-Y400 HydrophobicContact CG1-CE2 4.48Å; V348-Y400 HydrophobicContact CG2-CD2 3.94Å; V348-M602 HydrophobicContact CG1-CE 4.05Å; V348-G627 PolarHBondContact N-O 3.06Å; V348-G627 PolarHBondContact O-N 3.21Å
349	L	84.7	Confident	89.1	Confident	31 Å²	31	42 Å²	42	16%	0.162	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	92.2	164.8	-68.1	93.8	0	0	0	108.2	Q351 Q352 L353 V354 E624 L626	L349-Q351 PolarHBondContact O-N 2.75Å; L349-Q351 VanDerWaalsContact O-N 3.13Å; L349-Q352 HydrophobicContact CB-CB 4.42Å; L349-Q352 CarbonylContact O-C 3.55Å; L349-Q352 PolarHBondContact O-N 2.97Å; L349-L353 PolarHBondContact O-N 3.17Å; L349-V354 PolarHBondContact N-O 2.87Å; L349-V354 PolarHBondContact O-N 3.3Å; L349-E624 WeakPolarHBondContact CD1-OE2 3.49Å; L349-L626 HydrophobicContact CD1-CD2 3.3Å; L349-L626 HydrophobicContact CG-CD2 3.72Å
350	R	72.4	Confident	89.3	Confident	91 Å²	91	41.4 Å²	41.4	34%	0.343	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-30.3	-172.2	-178.5	174.5	-179.8	-178.3	0.8	114.6	V348 Q352 L353 Y400 Y595 M602	V348-R350 PolarHBondContact O-N 3.14Å; R350-Q352 VanDerWaalsContact C-N 3.3Å; R350-Q352 PolarHBondContact O-N 3.01Å; R350-L353 WeakPolarHBondContact O-CD2 3.45Å; R350-Y400 HydrophobicContact CG-CE2 4.19Å; R350-Y400 PolarHBondContact NE-OH 2.83Å; R350-Y595 VanDerWaalsContact NH1-CE2 3.27Å; R350-Y595 PolarHBondContact NH1-OH 2.69Å; R350-M602 HydrophobicContact CB-CE 3.46Å; R350-M602 VanDerWaalsContact CB-CE 3.46Å; R350-M602 HydrophobicContact CB-CG 4.18Å; R350-M602 HydrophobicContact CG-CE 4.29Å
351	Q	71.3	Confident	89.4	Confident	187 Å²	187	39 Å²	39	87%	0.874	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-31.5	178.1	-69.4	171.2	-9.2	0	0	112.6	L349	L349-Q351 PolarHBondContact O-N 2.75Å; L349-Q351 VanDerWaalsContact O-N 3.13Å
352	Q	74.8	Confident	89.3	Confident	114 Å²	114	39.6 Å²	39.6	53%	0.533	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-9.3	-179.7	-61.4	175.6	1.5	0	0	112.1	L349 R350 V354	L349-Q352 HydrophobicContact CB-CB 4.42Å; L349-Q352 CarbonylContact O-C 3.55Å; L349-Q352 PolarHBondContact O-N 2.97Å; R350-Q352 VanDerWaalsContact C-N 3.3Å; R350-Q352 PolarHBondContact O-N 3.01Å; Q352-V354 HydrophobicContact CB-CB 4.28Å; Q352-V354 HydrophobicContact CB-CG2 3.83Å; Q352-V354 PolarHBondContact O-N 3.06Å
353	L	80.2	Confident	89	Confident	106 Å²	106	40.3 Å²	40.3	56%	0.555	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.1	25.1	-171.9	-56	173.3	0	0	0	113	L349 R350 Y400	L349-L353 PolarHBondContact O-N 3.17Å; R350-L353 WeakPolarHBondContact O-CD2 3.45Å; L353-Y400 HydrophobicContact CD2-CD1 3.6Å; L353-Y400 HydrophobicContact CD2-CE1 4.11Å; L353-Y400 HydrophobicContact CD2-CG 3.87Å
354	V	86	Confident	88.5	Confident	73 Å²	73	42.6 Å²	42.6	44%	0.442	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	127.4	-179.3	177.1	0	0	0	0	109.6	V348 L349 Q352	V348-V354 WeakPolarHBondContact CA-O 3.36Å; V348-V354 WeakPolarHBondContact CG2-O 3.35Å; L349-V354 PolarHBondContact N-O 2.87Å; L349-V354 PolarHBondContact O-N 3.3Å; Q352-V354 HydrophobicContact CB-CB 4.28Å; Q352-V354 HydrophobicContact CB-CG2 3.83Å; Q352-V354 PolarHBondContact O-N 3.06Å
355	V	91	Very high	88.1	Confident	15 Å²	15	50.4 Å²	50.4	9%	0.091	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	132.1	175.1	-176.1	0	0	0	0	108.8	G347 V348 P378 R379 Y380 S398	G347-V355 CarbonylContact O-C 3.59Å; G347-V355 WeakPolarHBondContact O-CA 3.42Å; G347-V355 WeakPolarHBondContact O-CG1 3.12Å; V348-V355 HydrophobicContact CB-CG2 4.38Å; V348-V355 HydrophobicContact CG2-CG2 3.94Å; V355-P378 HydrophobicContact CB-CB 3.88Å; V355-P378 HydrophobicContact CB-CG 4.43Å; V355-P378 HydrophobicContact CG1-CB 3.76Å; V355-P378 WeakPolarHBondContact O-CB 3.4Å; V355-R379 VanDerWaalsContact CG1-C 3.4Å; V355-Y380 HydrophobicContact CB-CD1 4.42Å; V355-Y380 HydrophobicContact CG1-CD1 3.81Å; V355-Y380 HydrophobicContact CG1-CG 4.29Å; V355-Y380 HydrophobicContact CG2-CD1 3.61Å; V355-Y380 HydrophobicContact CG2-CE1 4.11Å; V355-Y380 HydrophobicContact CG2-CG 4.39Å; V355-S398 WeakPolarHBondContact CB-O 3.27Å; V355-S398 VanDerWaalsContact CG2-O 3.23Å; V355-S398 WeakPolarHBondContact CG2-O 3.3Å
356	S	92.3	Very high	87.7	Confident	11 Å²	11	52.6 Å²	52.6	8%	0.077	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-80.4	148.6	179.2	-179	0	0	0	0	111.7	G346 G347 E358 P378 R379	G346-S356 WeakPolarHBondContact CA-O 3.4Å; G347-S356 PolarHBondContact O-N 2.72Å; S356-E358 PolarHBondContact OG-N 2.97Å; S356-E358 VanDerWaalsContact OG-N 3.12Å; S356-P378 WeakPolarHBondContact O-CA 3.35Å; S356-R379 PolarHBondContact O-N 2.82Å; S356-R379 VanDerWaalsContact O-N 3.1Å
357	K	93.6	Very high	87.5	Confident	88 Å²	88	59.1 Å²	59.1	38%	0.383	29%	0.286	S	S	.	.			trans	-114.2	0.4	170.6	65.6	-176.4	-172.2	167.1	0	112.3	P374 M375 P378	K357-P374 HydrophobicContact CG-CB 4.21Å; K357-M375 HydrophobicContact CB-CB 4.32Å; K357-M375 WeakPolarHBondContact CD-O 3.32Å; K357-M375 PolarHBondContact O-N 3.18Å; K357-P378 HydrophobicContact CB-CB 4.13Å
358	E	94.6	Very high	87.5	Confident	51 Å²	51	63.2 Å²	63.2	24%	0.238	31%	0.305	C	S	.	.			trans	-76.8	130.5	-169.8	-61	-56	128.3	0	0	110.9	L345 G346 S356 R360	L345-E358 WeakPolarHBondContact CA-O 3.34Å; G346-E358 PolarHBondContact N-O 2.9Å; S356-E358 PolarHBondContact OG-N 2.97Å; S356-E358 VanDerWaalsContact OG-N 3.12Å; E358-R360 HydrophobicContact CB-CG 4.39Å
359	L	95.5	Very high	87.6	Confident	0 Å²	0	65 Å²	65	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	120	167.3	-176.7	71.4	0	0	0	107.2	V343 T344 L345 L372 L391 F414 W421	V343-L359 HydrophobicContact CG1-CD1 3.4Å; V343-L359 VanDerWaalsContact CG1-CD1 3.4Å; V343-L359 HydrophobicContact CG1-CG 4.04Å; T344-L359 WeakPolarHBondContact O-CA 3.46Å; L345-L359 HydrophobicContact CB-CD1 3.96Å; L345-L359 HydrophobicContact CD1-CB 3.99Å; L345-L359 HydrophobicContact CD1-CD1 3.94Å; L345-L359 HydrophobicContact CG-CD1 4.42Å; L359-L372 HydrophobicContact CB-CB 4.2Å; L359-L372 HydrophobicContact CD2-CB 3.71Å; L359-L372 HydrophobicContact CD2-CD1 3.74Å; L359-L372 HydrophobicContact CD2-CG 4.38Å; L359-L372 HydrophobicContact CG-CB 3.94Å; L359-L372 HydrophobicContact CG-CD1 4Å; L359-L372 PolarHBondContact O-N 3Å; L359-L391 HydrophobicContact CD1-CD2 3.76Å; L359-F414 HydrophobicContact CD2-CD1 3.84Å; L359-F414 HydrophobicContact CD2-CD2 3.91Å; L359-F414 HydrophobicContact CD2-CE1 3.69Å; L359-F414 HydrophobicContact CD2-CE2 3.77Å; L359-F414 HydrophobicContact CD2-CG 3.94Å; L359-F414 HydrophobicContact CD2-CZ 3.65Å; L359-W421 HydrophobicContact CB-CZ2 4.29Å; L359-W421 HydrophobicContact CD1-CZ2 4.42Å; L359-W421 HydrophobicContact CD2-CZ2 3.82Å; L359-W421 HydrophobicContact CG-CZ2 4.4Å
360	R	95.2	Very high	88	Confident	31 Å²	31	64.6 Å²	64.6	12%	0.117	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	137.4	-176.9	-63.4	178.5	177.6	158.6	-1.7	110.4	V343 T344 E358 W369 K370 E624	V343-R360 CarbonylContact C-O 3.57Å; V343-R360 VanDerWaalsContact CA-O 3.29Å; V343-R360 WeakPolarHBondContact CA-O 3.45Å; T344-R360 PolarHBondContact N-O 2.99Å; T344-R360 PolarHBondContact O-N 3.25Å; E358-R360 HydrophobicContact CB-CG 4.39Å; R360-W369 HydrophobicContact CB-CE3 3.86Å; R360-W369 HydrophobicContact CB-CZ3 4.49Å; R360-K370 CarbonylContact C-O 3.54Å; R360-K370 WeakPolarHBondContact CA-O 3.28Å; R360-E624 IonicContact CZ-OE1 3.38Å; R360-E624 IonicContact NH1-OE1 3.42Å; R360-E624 PolarHBondContact NH1-OE1 3.29Å; R360-E624 IonicContact NH2-OE1 3.69Å; R360-E624 PolarHBondContact NH2-OE1 3.15Å
361	M	94.8	Very high	89	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	146.6	169.4	67.3	157.1	-72	0	0	110.5	H341 L342 V343 W369 K370 L372 V636 P638	H341-M361 HydrophobicContact CB-CB 4.47Å; H341-M361 HydrophobicContact CB-CE 3.79Å; H341-M361 VanDerWaalsContact CD2-CE 3.46Å; H341-M361 WeakPolarHBondContact CD2-CE 3.5Å; H341-M361 WeakPolarHBondContact ND1-CE 3.33Å; L342-M361 CarbonylContact O-C 3.52Å; L342-M361 WeakPolarHBondContact O-CA 3.45Å; V343-M361 HydrophobicContact CG2-CB 4.05Å; M361-W369 CarbonylContact O-C 3.55Å; M361-W369 WeakPolarHBondContact O-CA 3.41Å; M361-K370 HydrophobicContact CG-CB 4.14Å; M361-K370 PolarHBondContact N-O 2.88Å; M361-K370 PolarHBondContact O-N 3.33Å; M361-L372 HydrophobicContact CB-CD1 4.14Å; M361-L372 HydrophobicContact CB-CG 4.37Å; M361-L372 HydrophobicContact CG-CD1 4.45Å; M361-L372 HydrophobicContact CG-CD2 4.25Å; M361-L372 HydrophobicContact CG-CG 4.2Å; M361-L372 HydrophobicContact SD-CD2 4.35Å; M361-V636 HydrophobicContact SD-CG1 3.95Å; M361-P638 HydrophobicContact CE-CB 4.4Å; M361-P638 HydrophobicContact CE-CG 4.26Å; M361-P638 HydrophobicContact SD-CB 4.3Å
362	Y	92.9	Very high	90.1	Very high	16 Å²	16	55 Å²	55	6%	0.063	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	121.6	172	-173.1	-109.2	0	0	0	109.4	H341 L342 E364 H367 W369 F620	H341-Y362 PolarHBondContact ND1-O 3.3Å; L342-Y362 PolarHBondContact O-N 3.37Å; Y362-E364 HydrophobicContact CD1-CG 4.25Å; Y362-E364 HydrophobicContact CE1-CG 4.42Å; Y362-H367 WeakPolarHBondContact OH-CA 3.45Å; Y362-H367 PolarHBondContact OH-ND1 2.89Å; Y362-W369 HydrophobicContact CD2-CD2 4.01Å; Y362-W369 AromaticContact CD2-CE2 3.84Å; Y362-W369 HydrophobicContact CD2-CG 4.23Å; Y362-W369 HydrophobicContact CD2-CZ2 4.29Å; Y362-W369 AromaticContact CD2-NE1 3.91Å; Y362-F620 AromaticContact CD1-CE1 3.92Å; Y362-F620 HydrophobicContact CD1-CE1 3.92Å; Y362-F620 HydrophobicContact CD1-CE2 4.32Å; Y362-F620 AromaticContact CD1-CZ 3.68Å; Y362-F620 HydrophobicContact CD1-CZ 3.68Å; Y362-F620 HydrophobicContact CD2-CD2 4.3Å; Y362-F620 AromaticContact CD2-CE2 3.99Å; Y362-F620 HydrophobicContact CD2-CE2 3.99Å; Y362-F620 HydrophobicContact CD2-CZ 4.16Å; Y362-F620 AromaticContact CE1-CD1 3.9Å; Y362-F620 HydrophobicContact CE1-CD1 3.9Å; Y362-F620 AromaticContact CE1-CE1 3.35Å; Y362-F620 HydrophobicContact CE1-CE1 3.35Å; Y362-F620 HydrophobicContact CE1-CE2 4.35Å; Y362-F620 AromaticContact CE1-CZ 3.61Å; Y362-F620 HydrophobicContact CE1-CZ 3.61Å; Y362-F620 HydrophobicContact CE2-CD1 4.06Å; Y362-F620 AromaticContact CE2-CD2 3.98Å; Y362-F620 HydrophobicContact CE2-CD2 3.98Å; Y362-F620 HydrophobicContact CE2-CE1 4.14Å; Y362-F620 HydrophobicContact CE2-CE2 4.03Å; Y362-F620 AromaticContact CE2-CG 4Å; Y362-F620 HydrophobicContact CE2-CG 4Å; Y362-F620 HydrophobicContact CE2-CZ 4.12Å; Y362-F620 HydrophobicContact CG-CE2 4.14Å; Y362-F620 AromaticContact CG-CZ 3.96Å; Y362-F620 HydrophobicContact CG-CZ 3.96Å; Y362-F620 AromaticContact CZ-CD1 3.5Å; Y362-F620 AromaticContact CZ-CE1 3.47Å; Y362-F620 VanDerWaalsContact CZ-CE1 3.47Å; Y362-F620 AromaticContact CZ-CG 3.92Å; Y362-F620 AromaticContact CZ-CZ 3.84Å; Y362-F620 WeakPolarHBondContact OH-CD1 3.25Å
363	D	89.9	Confident	91.1	Very high	16 Å²	16	50.6 Å²	50.6	9%	0.086	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	108.4	172.4	-174.9	-26.1	0	0	0	108.6	K365 A366 H367 E368 K370	D363-K365 PolarHBondContact O-N 2.84Å; D363-K365 WeakPolarHBondContact OD1-CB 3.42Å; D363-K365 PolarHBondContact OD1-N 2.8Å; D363-A366 HydrophobicContact CB-CB 4.2Å; D363-A366 PolarHBondContact OD1-N 3.27Å; D363-A366 VanDerWaalsContact OD1-N 3.11Å; D363-H367 VanDerWaalsContact O-CA 3.3Å; D363-H367 WeakPolarHBondContact O-CA 3.45Å; D363-H367 PolarHBondContact O-N 2.77Å; D363-E368 HydrophobicContact CB-CG 4.47Å; D363-E368 PolarHBondContact N-O 3.21Å; D363-E368 PolarHBondContact O-N 2.79Å; D363-K370 HydrophobicContact CB-CD 4.34Å; D363-K370 HydrophobicContact CB-CG 4.5Å; D363-K370 WeakPolarHBondContact OD2-CE 3.14Å; D363-K370 IonicContact OD2-NZ 2.76Å; D363-K370 PolarHBondContact OD2-NZ 2.78Å
364	E	85.5	Confident	91.9	Very high	51 Å²	51	48 Å²	48	24%	0.238	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-23.5	-177.8	-56.7	87.6	-165.8	0	0	113	H341 Y362 H367 F585	H341-E364 IonicContact CE1-OE2 3.13Å; H341-E364 PolarHBondContact CE1-OE2 2.91Å; H341-E364 IonicContact ND1-OE1 3.98Å; H341-E364 PolarHBondContact ND1-OE1 3.3Å; H341-E364 IonicContact ND1-OE2 2.88Å; H341-E364 PolarHBondContact ND1-OE2 2.92Å; H341-E364 VanDerWaalsContact ND1-OE2 3.08Å; Y362-E364 HydrophobicContact CD1-CG 4.25Å; Y362-E364 HydrophobicContact CE1-CG 4.42Å; E364-H367 PolarHBondContact O-CE1 2.77Å; E364-H367 PolarHBondContact O-ND1 2.78Å; E364-F585 HydrophobicContact CG-CE1 4.22Å; E364-F585 HydrophobicContact CG-CZ 4.37Å; E364-F585 WeakPolarHBondContact OE1-CZ 3.43Å
365	K	86.2	Confident	92.3	Very high	169 Å²	169	44.7 Å²	44.7	74%	0.735	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-42.4	-177.5	-66.4	177.5	-178.6	168.2	0	111.5	D363 H367	D363-K365 PolarHBondContact O-N 2.84Å; D363-K365 WeakPolarHBondContact OD1-CB 3.42Å; D363-K365 PolarHBondContact OD1-N 2.8Å; K365-H367 VanDerWaalsContact C-N 3.34Å
366	A	87.4	Confident	92.3	Very high	48 Å²	48	50.8 Å²	50.8	40%	0.397	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-10.6	177	0	0	0	0	0	112.7	D363 E368	D363-A366 HydrophobicContact CB-CB 4.2Å; D363-A366 PolarHBondContact OD1-N 3.27Å; D363-A366 VanDerWaalsContact OD1-N 3.11Å; A366-E368 HydrophobicContact CB-CG 3.7Å; A366-E368 WeakPolarHBondContact CB-OE1 3.49Å; A366-E368 PolarHBondContact O-N 2.9Å
367	H	88.4	Confident	92.2	Very high	139 Å²	139	51.6 Å²	51.6	64%	0.644	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	34.6	-175.6	-66.2	-63.6	0	0	0	113.6	Y362 D363 E364 K365	Y362-H367 WeakPolarHBondContact OH-CA 3.45Å; Y362-H367 PolarHBondContact OH-ND1 2.89Å; D363-H367 VanDerWaalsContact O-CA 3.3Å; D363-H367 WeakPolarHBondContact O-CA 3.45Å; D363-H367 PolarHBondContact O-N 2.77Å; E364-H367 PolarHBondContact O-CE1 2.77Å; E364-H367 PolarHBondContact O-ND1 2.78Å; K365-H367 VanDerWaalsContact C-N 3.34Å
368	E	91.1	Very high	92.2	Very high	87 Å²	87	49.2 Å²	49.2	41%	0.407	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	157.6	-174.3	70.8	-174.1	162.5	0	0	112.6	D363 A366 K370	D363-E368 HydrophobicContact CB-CG 4.47Å; D363-E368 PolarHBondContact N-O 3.21Å; D363-E368 PolarHBondContact O-N 2.79Å; A366-E368 HydrophobicContact CB-CG 3.7Å; A366-E368 WeakPolarHBondContact CB-OE1 3.49Å; A366-E368 PolarHBondContact O-N 2.9Å; E368-K370 HydrophobicContact CG-CG 4.17Å; E368-K370 WeakPolarHBondContact OE1-CE 3.26Å; E368-K370 IonicContact OE1-NZ 3.62Å; E368-K370 PolarHBondContact OE1-NZ 2.85Å
369	W	91.4	Very high	92.1	Very high	40 Å²	40	47.2 Å²	47.2	15%	0.152	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	123.1	172.6	-70.2	94.2	0	0	0	110	L342 T344 R360 M361 Y362 F620 D621 L622 P623	L342-W369 HydrophobicContact CD2-CH2 3.85Å; L342-W369 HydrophobicContact CD2-CZ2 4.41Å; L342-W369 HydrophobicContact CG-CH2 4.14Å; T344-W369 HydrophobicContact CG2-CH2 3.41Å; T344-W369 VanDerWaalsContact CG2-CH2 3.41Å; T344-W369 HydrophobicContact CG2-CZ2 4.43Å; T344-W369 HydrophobicContact CG2-CZ3 3.64Å; T344-W369 WeakPolarHBondContact OG1-CZ3 3.45Å; R360-W369 HydrophobicContact CB-CE3 3.86Å; R360-W369 HydrophobicContact CB-CZ3 4.49Å; M361-W369 CarbonylContact O-C 3.55Å; M361-W369 WeakPolarHBondContact O-CA 3.41Å; Y362-W369 HydrophobicContact CD2-CD2 4.01Å; Y362-W369 AromaticContact CD2-CE2 3.84Å; Y362-W369 HydrophobicContact CD2-CG 4.23Å; Y362-W369 HydrophobicContact CD2-CZ2 4.29Å; Y362-W369 AromaticContact CD2-NE1 3.91Å; W369-F620 HydrophobicContact CZ2-CD2 4.25Å; W369-F620 AromaticContact CZ2-CE2 3.75Å; W369-F620 HydrophobicContact CZ2-CE2 3.75Å; W369-D621 PolarHBondContact NE1-O 3.21Å; W369-L622 HydrophobicContact CH2-CD2 4.05Å; W369-L622 HydrophobicContact CZ2-CD2 3.56Å; W369-P623 HydrophobicContact CB-CG 3.91Å; W369-P623 HydrophobicContact CG-CG 3.93Å
370	K	93.1	Very high	91.9	Very high	24 Å²	24	47.5 Å²	47.5	10%	0.104	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	139	175.6	-61.2	-169.1	176.4	-170.9	0	110.8	R360 M361 D363 E368 P639 D641	R360-K370 CarbonylContact C-O 3.54Å; R360-K370 WeakPolarHBondContact CA-O 3.28Å; M361-K370 HydrophobicContact CG-CB 4.14Å; M361-K370 PolarHBondContact N-O 2.88Å; M361-K370 PolarHBondContact O-N 3.33Å; D363-K370 HydrophobicContact CB-CD 4.34Å; D363-K370 HydrophobicContact CB-CG 4.5Å; D363-K370 WeakPolarHBondContact OD2-CE 3.14Å; D363-K370 IonicContact OD2-NZ 2.76Å; D363-K370 PolarHBondContact OD2-NZ 2.78Å; E368-K370 HydrophobicContact CG-CG 4.17Å; E368-K370 WeakPolarHBondContact OE1-CE 3.26Å; E368-K370 IonicContact OE1-NZ 3.62Å; E368-K370 PolarHBondContact OE1-NZ 2.85Å; K370-P639 HydrophobicContact CB-CG 4.16Å; K370-D641 IonicContact NZ-OD1 3.97Å; K370-D641 PolarHBondContact NZ-OD1 3.34Å; K370-D641 IonicContact NZ-OD2 2.63Å
371	S	93.5	Very high	91.8	Very high	67 Å²	67	46.2 Å²	46.2	47%	0.469	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	131.9	177.9	-64.6	0	0	0	0	111.4	P639	S371-P639 VanDerWaalsContact O-CG 3.26Å; S371-P639 WeakPolarHBondContact O-CG 3.44Å
372	L	95.6	Very high	91.9	Very high	8 Å²	8	46.2 Å²	46.2	4%	0.042	25%	0.247	C	C	.	.			trans	-94.2	-177.7	163.6	-63.7	176.8	0	0	0	109.1	L359 M361 P374 F414 V636 P639	L359-L372 HydrophobicContact CB-CB 4.2Å; L359-L372 HydrophobicContact CD2-CB 3.71Å; L359-L372 HydrophobicContact CD2-CD1 3.74Å; L359-L372 HydrophobicContact CD2-CG 4.38Å; L359-L372 HydrophobicContact CG-CB 3.94Å; L359-L372 HydrophobicContact CG-CD1 4Å; L359-L372 PolarHBondContact O-N 3Å; M361-L372 HydrophobicContact CB-CD1 4.14Å; M361-L372 HydrophobicContact CB-CG 4.37Å; M361-L372 HydrophobicContact CG-CD1 4.45Å; M361-L372 HydrophobicContact CG-CD2 4.25Å; M361-L372 HydrophobicContact CG-CG 4.2Å; M361-L372 HydrophobicContact SD-CD2 4.35Å; L372-P374 WeakPolarHBondContact O-CD 3.46Å; L372-F414 HydrophobicContact CB-CZ 4.34Å; L372-F414 HydrophobicContact CD1-CE1 4.26Å; L372-F414 HydrophobicContact CD1-CZ 4.23Å; L372-V636 HydrophobicContact CD1-CG1 4.28Å; L372-V636 HydrophobicContact CD1-CG2 4.31Å; L372-V636 HydrophobicContact CD2-CG2 4.02Å; L372-P639 HydrophobicContact CD2-CG 4.1Å
373	A	95.3	Very high	92.1	Very high	22 Å²	22	45.7 Å²	45.7	18%	0.182	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-60	123.7	176.9	0	0	0	0	0	110.1	F414 N419 W421	A373-F414 HydrophobicContact CB-CE2 4.31Å; A373-N419 WeakPolarHBondContact CB-O 3.39Å; A373-N419 WeakPolarHBondContact CB-OD1 3.38Å; A373-N419 PolarHBondContact N-ND2 2.87Å; A373-N419 PolarHBondContact N-OD1 3.49Å; A373-W421 PolarHBondContact O-NE1 3.29Å
374	P	95.7	Very high	92.5	Very high	52 Å²	52	46.2 Å²	46.2	34%	0.338	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-71.1	160.8	179.2	30.6	-35.2	0	0	0	110.7	K357 L372 W421	K357-P374 HydrophobicContact CG-CB 4.21Å; L372-P374 WeakPolarHBondContact O-CD 3.46Å; P374-W421 VanDerWaalsContact O-CD1 3.32Å; P374-W421 PolarHBondContact O-NE1 2.8Å
375	M	95.3	Very high	93.1	Very high	3 Å²	3	44.3 Å²	44.3	2%	0.015	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-69.6	153.9	168	-64.7	-173.9	69.2	0	0	110.8	L345 K357 A377 R379 V393 F412 W421	L345-M375 HydrophobicContact CD1-CG 4Å; L345-M375 HydrophobicContact CD1-SD 3.89Å; L345-M375 HydrophobicContact CD2-SD 3.89Å; L345-M375 HydrophobicContact CG-SD 4.32Å; K357-M375 HydrophobicContact CB-CB 4.32Å; K357-M375 WeakPolarHBondContact CD-O 3.32Å; K357-M375 PolarHBondContact O-N 3.18Å; M375-A377 VanDerWaalsContact C-N 3.35Å; M375-A377 WeakPolarHBondContact CB-O 3.33Å; M375-R379 HydrophobicContact CE-CG 3.7Å; M375-R379 HydrophobicContact SD-CB 4.33Å; M375-R379 HydrophobicContact SD-CG 3.88Å; M375-V393 HydrophobicContact CE-CB 4.2Å; M375-V393 HydrophobicContact CE-CG1 3.81Å; M375-V393 HydrophobicContact SD-CB 4.42Å; M375-V393 HydrophobicContact SD-CG1 3.91Å; M375-V393 HydrophobicContact SD-CG2 4.31Å; M375-F412 HydrophobicContact CE-CB 4.04Å; M375-F412 HydrophobicContact CE-CD2 3.58Å; M375-F412 HydrophobicContact CE-CE2 4.27Å; M375-F412 HydrophobicContact CE-CG 3.93Å; M375-W421 HydrophobicContact CG-CD2 4.26Å; M375-W421 HydrophobicContact CG-CE3 4.47Å; M375-W421 HydrophobicContact CG-CH2 3.86Å; M375-W421 HydrophobicContact CG-CZ2 3.59Å; M375-W421 HydrophobicContact CG-CZ3 4.29Å; M375-W421 HydrophobicContact SD-CH2 4.24Å
376	D	91.6	Very high	93.7	Very high	143 Å²	143	38.4 Å²	38.4	77%	0.765	22%	0.22	S	C	*	.	S	Bend	trans	-66	-40.1	173.2	-66.5	-30.5	0	0	0	111.8
377	A	90.7	Very high	94.2	Very high	28 Å²	28	36.7 Å²	36.7	23%	0.231	20%	0.204	C	C	.	.	S	Bend	trans	-116.6	139.4	179.7	0	0	0	0	0	111.3	M375	M375-A377 VanDerWaalsContact C-N 3.35Å; M375-A377 WeakPolarHBondContact CB-O 3.33Å
378	P	92.7	Very high	94.5	Very high	38 Å²	38	31.4 Å²	31.4	25%	0.247	19%	0.187	C	C	.	.			trans	-69.7	151.4	178.7	31.4	-36.8	0	0	0	112	V355 S356 K357 S398	V355-P378 HydrophobicContact CB-CB 3.88Å; V355-P378 HydrophobicContact CB-CG 4.43Å; V355-P378 HydrophobicContact CG1-CB 3.76Å; V355-P378 WeakPolarHBondContact O-CB 3.4Å; S356-P378 WeakPolarHBondContact O-CA 3.35Å; K357-P378 HydrophobicContact CB-CB 4.13Å; P378-S398 WeakPolarHBondContact O-CA 3.34Å; P378-S398 PolarHBondContact O-OG 3.01Å
379	R	93	Very high	94.8	Very high	10 Å²	10	29.2 Å²	29.2	4%	0.038	18%	0.178	C	C	.	.			trans	-142.9	129.6	-175.3	-67.9	-78.2	170.3	-103.9	5.5	111.2	G346 G347 V355 S356 M375 H382 V393 G395 Q397 S398 T410	G346-R379 WeakPolarHBondContact CA-O 3.42Å; G347-R379 PolarHBondContact N-O 3.27Å; V355-R379 VanDerWaalsContact CG1-C 3.4Å; S356-R379 PolarHBondContact O-N 2.82Å; S356-R379 VanDerWaalsContact O-N 3.1Å; M375-R379 HydrophobicContact CE-CG 3.7Å; M375-R379 HydrophobicContact SD-CB 4.33Å; M375-R379 HydrophobicContact SD-CG 3.88Å; R379-H382 HydrophobicContact CB-CB 4.36Å; R379-H382 PolarHBondContact O-ND1 2.83Å; R379-V393 HydrophobicContact CG-CG1 4.25Å; R379-G395 WeakPolarHBondContact CD-O 3.48Å; R379-Q397 WeakPolarHBondContact CA-O 3.2Å; R379-S398 PolarHBondContact NH1-OG 3.25Å; R379-T410 PolarHBondContact NH2-OG1 3.23Å
380	Y	90.9	Very high	95.1	Very high	5 Å²	5	27.5 Å²	27.5	2%	0.02	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-134.1	158.3	161.5	81.7	-66	0	0	0	110.3	V348 V355 H382 Q397 N399 D401	V348-Y380 HydrophobicContact CB-CD2 4.21Å; V348-Y380 HydrophobicContact CB-CG 4.13Å; V348-Y380 HydrophobicContact CG1-CD2 4Å; V348-Y380 HydrophobicContact CG1-CG 4.42Å; V355-Y380 HydrophobicContact CB-CD1 4.42Å; V355-Y380 HydrophobicContact CG1-CD1 3.81Å; V355-Y380 HydrophobicContact CG1-CG 4.29Å; V355-Y380 HydrophobicContact CG2-CD1 3.61Å; V355-Y380 HydrophobicContact CG2-CE1 4.11Å; V355-Y380 HydrophobicContact CG2-CG 4.39Å; Y380-H382 PolarHBondContact O-N 2.86Å; Y380-H382 VanDerWaalsContact O-N 3.1Å; Y380-Q397 HydrophobicContact CD1-CB 4.03Å; Y380-Q397 VanDerWaalsContact CD1-O 3.3Å; Y380-Q397 WeakPolarHBondContact CD1-O 3.43Å; Y380-Q397 HydrophobicContact CE1-CB 3.35Å; Y380-Q397 HydrophobicContact CE1-CG 4.45Å; Y380-Q397 PolarHBondContact N-O 2.91Å; Y380-Q397 PolarHBondContact O-N 3.08Å; Y380-Q397 PolarHBondContact OH-NE2 3.27Å; Y380-N399 VanDerWaalsContact CE1-O 3.26Å; Y380-N399 WeakPolarHBondContact CE1-O 3.48Å; Y380-N399 PolarHBondContact OH-O 2.97Å; Y380-D401 PolarHBondContact OH-N 3.21Å; Y380-D401 PolarHBondContact OH-O 3.38Å
381	Q	93.5	Very high	95.4	Very high	5 Å²	5	26.4 Å²	26.4	2%	0.023	17%	0.167	C	C	.	.	S	Bend	trans	55	25.2	-174.9	-62.9	-66.4	-3.4	0	0	114.7	T432 F433 D579	Q381-T432 VanDerWaalsContact CB-OG1 3.29Å; Q381-T432 WeakPolarHBondContact CB-OG1 3.36Å; Q381-T432 PolarHBondContact O-OG1 2.96Å; Q381-F433 HydrophobicContact CB-CD1 4.41Å; Q381-F433 HydrophobicContact CB-CD2 4.5Å; Q381-F433 HydrophobicContact CB-CE1 4.4Å; Q381-F433 HydrophobicContact CB-CE2 4.46Å; Q381-F433 HydrophobicContact CB-CG 4.47Å; Q381-F433 HydrophobicContact CB-CZ 4.42Å; Q381-F433 HydrophobicContact CG-CD1 3.99Å; Q381-F433 HydrophobicContact CG-CE1 3.57Å; Q381-F433 HydrophobicContact CG-CE2 4.16Å; Q381-F433 HydrophobicContact CG-CG 4.47Å; Q381-F433 HydrophobicContact CG-CZ 3.66Å; Q381-F433 VanDerWaalsContact NE2-CE1 3.3Å; Q381-F433 PolarHBondContact O-N 3.06Å; Q381-D579 PolarHBondContact NE2-OD1 3.16Å; Q381-D579 PolarHBondContact NE2-OD2 2.81Å; Q381-D579 VanDerWaalsContact NE2-OD2 3.13Å
382	H	96.3	Very high	95.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	15%	0.145	C	C	.	.			trans	-80.3	162.2	173.1	58.6	-86.7	0	0	0	110.3	R379 Y380 I384 V393 V394 R630	R379-H382 HydrophobicContact CB-CB 4.36Å; R379-H382 PolarHBondContact O-ND1 2.83Å; Y380-H382 PolarHBondContact O-N 2.86Å; Y380-H382 VanDerWaalsContact O-N 3.1Å; H382-I384 WeakPolarHBondContact CD2-CG2 3.3Å; H382-I384 WeakPolarHBondContact NE2-CG2 3.45Å; H382-V393 HydrophobicContact CB-CG1 4.27Å; H382-V394 WeakPolarHBondContact CB-O 3.22Å; H382-R630 WeakPolarHBondContact NE2-CG 3.26Å; H382-R630 PolarHBondContact O-NE 2.92Å; H382-R630 PolarHBondContact O-NH2 3.14Å
383	G	97.3	Very high	95.8	Very high	4 Å²	4	22.8 Å²	22.8	4%	0.041	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	143.7	167.7	0	0	0	0	0	110.5	V393 V394	G383-V393 WeakPolarHBondContact O-CA 3.44Å; G383-V394 PolarHBondContact N-O 2.93Å; G383-V394 PolarHBondContact O-N 2.74Å
384	I	97.6	Very high	95.9	Very high	27 Å²	27	21.8 Å²	21.8	14%	0.138	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	148.8	166.6	65.7	166.1	0	0	0	111.8	L345 H382 L391 Y392 V393 R630 A631 C632	L345-I384 HydrophobicContact CD2-CG2 4.41Å; H382-I384 WeakPolarHBondContact CD2-CG2 3.3Å; H382-I384 WeakPolarHBondContact NE2-CG2 3.45Å; I384-L391 HydrophobicContact CB-CD1 3.93Å; I384-L391 HydrophobicContact CD1-CD1 4.46Å; I384-L391 HydrophobicContact CG2-CD1 4.26Å; I384-Y392 VanDerWaalsContact CA-O 3.23Å; I384-Y392 WeakPolarHBondContact CA-O 3.42Å; I384-V393 HydrophobicContact CG2-CG2 4.33Å; I384-R630 HydrophobicContact CB-CB 4.42Å; I384-R630 HydrophobicContact CD1-CB 3.54Å; I384-R630 HydrophobicContact CG1-CB 3.79Å; I384-R630 HydrophobicContact CG1-CG 4.35Å; I384-R630 HydrophobicContact CG2-CB 3.78Å; I384-R630 HydrophobicContact CG2-CG 4.12Å; I384-A631 VanDerWaalsContact CD1-O 3.25Å; I384-A631 WeakPolarHBondContact CD1-O 3.42Å; I384-C632 HydrophobicContact CD1-CB 3.88Å
385	A	98.3	Very high	96	Very high	11 Å²	11	19.3 Å²	19.3	9%	0.091	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	156.4	176.4	0	0	0	0	0	109.3	Y392 L436 A438 L443	A385-Y392 PolarHBondContact N-O 3.38Å; A385-Y392 PolarHBondContact O-N 3.41Å; A385-L436 HydrophobicContact CB-CD2 3.73Å; A385-L436 HydrophobicContact CB-CG 3.96Å; A385-A438 HydrophobicContact CB-CB 4.25Å; A385-L443 HydrophobicContact CB-CD2 3.57Å
386	V	98.4	Very high	96.1	Very high	46 Å²	46	19.1 Å²	19.1	28%	0.279	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	126.8	179.6	-179	0	0	0	0	109.3	F390 L391 A438 C632 L634	V386-F390 VanDerWaalsContact CA-O 3.3Å; V386-F390 WeakPolarHBondContact CA-O 3.13Å; V386-L391 HydrophobicContact CG2-CD1 4.38Å; V386-A438 WeakPolarHBondContact O-CB 3.25Å; V386-C632 HydrophobicContact CG2-CB 4.14Å; V386-L634 HydrophobicContact CG1-CD2 3.82Å; V386-L634 HydrophobicContact CG2-CD2 3.8Å
387	I	98.1	Very high	96.1	Very high	11 Å²	11	12.3 Å²	12.3	6%	0.056	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	122.8	169.7	-58.9	175.9	0	0	0	107.2	P326 V327 N389 F390 Y392 A438 L443 P463	P326-I387 HydrophobicContact CB-CB 3.95Å; P326-I387 HydrophobicContact CB-CG2 3.65Å; P326-I387 WeakPolarHBondContact CB-O 3.42Å; V327-I387 HydrophobicContact CG1-CG2 4.05Å; I387-N389 VanDerWaalsContact C-N 3.26Å; I387-N389 PolarHBondContact O-N 2.79Å; I387-F390 PolarHBondContact N-O 2.8Å; I387-F390 WeakPolarHBondContact O-CB 3.45Å; I387-F390 WeakPolarHBondContact O-CD2 3.47Å; I387-F390 PolarHBondContact O-N 2.89Å; I387-Y392 HydrophobicContact CB-CE2 4.17Å; I387-Y392 HydrophobicContact CD1-CE2 4.33Å; I387-Y392 HydrophobicContact CG1-CE2 4.4Å; I387-A438 HydrophobicContact CD1-CB 4.44Å; I387-A438 HydrophobicContact CG1-CB 3.7Å; I387-L443 HydrophobicContact CD1-CD2 3.41Å; I387-L443 VanDerWaalsContact CD1-CD2 3.41Å; I387-L443 HydrophobicContact CD1-CG 3.65Å; I387-L443 HydrophobicContact CG1-CD2 3.81Å; I387-P463 HydrophobicContact CD1-CG 4.34Å
388	G	96.2	Very high	96.1	Very high	29 Å²	29	12.5 Å²	12.5	30%	0.299	8%	0.081	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	38.1	175.4	0	0	0	0	0	114.3	P326 F390	P326-G388 WeakPolarHBondContact O-CA 3.33Å; G388-F390 WeakPolarHBondContact O-CD2 3.32Å; G388-F390 WeakPolarHBondContact O-CE2 3.25Å; G388-F390 PolarHBondContact O-N 2.89Å
389	N	97.1	Very high	95.8	Very high	41 Å²	41	15.7 Å²	15.7	22%	0.219	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	11.8	-173.9	-163	49.1	0	0	0	115.3	I387 P416 T635	I387-N389 VanDerWaalsContact C-N 3.26Å; I387-N389 PolarHBondContact O-N 2.79Å; N389-P416 WeakPolarHBondContact ND2-CG 3.46Å; N389-P416 VanDerWaalsContact O-CD 3.32Å; N389-P416 WeakPolarHBondContact O-CD 3.36Å; N389-P416 WeakPolarHBondContact O-CG 3.37Å; N389-T635 PolarHBondContact ND2-O 2.87Å; N389-T635 PolarHBondContact OD1-N 2.97Å
390	F	98.1	Very high	95.4	Very high	3 Å²	3	18.6 Å²	18.6	1%	0.013	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	128.4	168.4	-63.3	-99.9	0	0	0	109.9	Q325 P326 V386 I387 G388 Y392 R413 D415	Q325-F390 HydrophobicContact CB-CE2 4.31Å; Q325-F390 HydrophobicContact CB-CZ 3.9Å; P326-F390 HydrophobicContact CB-CB 4.45Å; P326-F390 HydrophobicContact CB-CD2 3.8Å; P326-F390 HydrophobicContact CB-CE2 4.4Å; P326-F390 HydrophobicContact CB-CG 4.32Å; P326-F390 HydrophobicContact CG-CB 4.13Å; P326-F390 HydrophobicContact CG-CD1 4.45Å; P326-F390 HydrophobicContact CG-CD2 3.66Å; P326-F390 HydrophobicContact CG-CE2 4.15Å; P326-F390 HydrophobicContact CG-CG 3.84Å; V386-F390 VanDerWaalsContact CA-O 3.3Å; V386-F390 WeakPolarHBondContact CA-O 3.13Å; I387-F390 PolarHBondContact N-O 2.8Å; I387-F390 WeakPolarHBondContact O-CB 3.45Å; I387-F390 WeakPolarHBondContact O-CD2 3.47Å; I387-F390 PolarHBondContact O-N 2.89Å; G388-F390 WeakPolarHBondContact O-CD2 3.32Å; G388-F390 WeakPolarHBondContact O-CE2 3.25Å; G388-F390 PolarHBondContact O-N 2.89Å; F390-Y392 HydrophobicContact CB-CE2 4.22Å; F390-R413 HydrophobicContact CB-CG 3.96Å; F390-R413 HydrophobicContact CD1-CG 4.31Å; F390-D415 HydrophobicContact CD1-CB 4.11Å; F390-D415 HydrophobicContact CE1-CB 3.99Å; F390-D415 VanDerWaalsContact CE1-CG 3.46Å; F390-D415 WeakPolarHBondContact CE1-OD2 3.34Å
391	L	98.6	Very high	95.3	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	128.6	176.4	165.7	66.7	0	0	0	110.1	L359 I384 V386 V393 R413 F414 W421 L634	L359-L391 HydrophobicContact CD1-CD2 3.76Å; I384-L391 HydrophobicContact CB-CD1 3.93Å; I384-L391 HydrophobicContact CD1-CD1 4.46Å; I384-L391 HydrophobicContact CG2-CD1 4.26Å; V386-L391 HydrophobicContact CG2-CD1 4.38Å; L391-V393 HydrophobicContact CG-CG2 4.4Å; L391-R413 CarbonylContact O-C 3.51Å; L391-R413 VanDerWaalsContact O-CA 3.3Å; L391-R413 WeakPolarHBondContact O-CA 3.49Å; L391-F414 HydrophobicContact CB-CB 4.15Å; L391-F414 PolarHBondContact N-O 3.4Å; L391-F414 PolarHBondContact O-N 2.84Å; L391-W421 HydrophobicContact CD2-CH2 4.23Å; L391-L634 HydrophobicContact CB-CD1 3.81Å; L391-L634 HydrophobicContact CB-CD2 4.19Å; L391-L634 HydrophobicContact CD2-CD1 4.11Å
392	Y	98.7	Very high	94.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	141	172.3	-74.9	-97.3	0	0	0	110.9	P326 I384 A385 I387 F390 V411 F412 R413 V424 L443 Y461	P326-Y392 HydrophobicContact CG-CE2 4.33Å; P326-Y392 WeakPolarHBondContact CG-OH 3.28Å; I384-Y392 VanDerWaalsContact CA-O 3.23Å; I384-Y392 WeakPolarHBondContact CA-O 3.42Å; A385-Y392 PolarHBondContact N-O 3.38Å; A385-Y392 PolarHBondContact O-N 3.41Å; I387-Y392 HydrophobicContact CB-CE2 4.17Å; I387-Y392 HydrophobicContact CD1-CE2 4.33Å; I387-Y392 HydrophobicContact CG1-CE2 4.4Å; F390-Y392 HydrophobicContact CB-CE2 4.22Å; Y392-V411 HydrophobicContact CD1-CG1 4.24Å; Y392-F412 CarbonylContact C-O 3.26Å; Y392-F412 WeakPolarHBondContact CA-O 3.14Å; Y392-R413 HydrophobicContact CD1-CB 4.15Å; Y392-R413 HydrophobicContact CD1-CG 4.29Å; Y392-R413 HydrophobicContact CD2-CG 4.34Å; Y392-R413 HydrophobicContact CE1-CB 4Å; Y392-R413 HydrophobicContact CE1-CG 3.99Å; Y392-R413 HydrophobicContact CE2-CG 4.02Å; Y392-R413 HydrophobicContact CG-CG 4.49Å; Y392-V424 HydrophobicContact CD1-CG2 4.48Å; Y392-V424 HydrophobicContact CE1-CG2 4.24Å; Y392-L443 HydrophobicContact CD1-CD1 3.51Å; Y392-L443 HydrophobicContact CD2-CD1 4.13Å; Y392-L443 HydrophobicContact CD2-CD2 4.49Å; Y392-L443 HydrophobicContact CE1-CD1 3.98Å; Y392-L443 HydrophobicContact CG-CD1 3.56Å; Y392-Y461 HydrophobicContact CE1-CD1 4.45Å; Y392-Y461 AromaticContact CE1-CE1 3.89Å; Y392-Y461 HydrophobicContact CE1-CE1 3.89Å
393	V	98.3	Very high	94.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	112.2	176.5	-178.7	0	0	0	0	107.5	L345 M375 R379 H382 G383 I384 L391 V411 F412 W421	L345-V393 HydrophobicContact CD2-CB 4.21Å; L345-V393 HydrophobicContact CD2-CG1 3.97Å; L345-V393 HydrophobicContact CD2-CG2 3.17Å; M375-V393 HydrophobicContact CE-CB 4.2Å; M375-V393 HydrophobicContact CE-CG1 3.81Å; M375-V393 HydrophobicContact SD-CB 4.42Å; M375-V393 HydrophobicContact SD-CG1 3.91Å; M375-V393 HydrophobicContact SD-CG2 4.31Å; R379-V393 HydrophobicContact CG-CG1 4.25Å; H382-V393 HydrophobicContact CB-CG1 4.27Å; G383-V393 WeakPolarHBondContact O-CA 3.44Å; I384-V393 HydrophobicContact CG2-CG2 4.33Å; L391-V393 HydrophobicContact CG-CG2 4.4Å; V393-V411 WeakPolarHBondContact O-CA 3.35Å; V393-F412 PolarHBondContact N-O 3.08Å; V393-F412 PolarHBondContact O-N 3.2Å; V393-W421 HydrophobicContact CB-CZ3 4.32Å; V393-W421 HydrophobicContact CG2-CH2 3.6Å; V393-W421 HydrophobicContact CG2-CZ3 3.56Å
394	V	98.5	Very high	93.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	132.7	-170	179.3	0	0	0	0	109.3	H382 G383 V411 L427 F434 L436 L443 W468	H382-V394 WeakPolarHBondContact CB-O 3.22Å; G383-V394 PolarHBondContact N-O 2.93Å; G383-V394 PolarHBondContact O-N 2.74Å; V394-V411 HydrophobicContact CB-CG1 4.47Å; V394-V411 HydrophobicContact CB-CG2 4.31Å; V394-V411 HydrophobicContact CG1-CG2 3.92Å; V394-V411 HydrophobicContact CG2-CG1 3.63Å; V394-V411 HydrophobicContact CG2-CG2 4.16Å; V394-L427 HydrophobicContact CG1-CD1 3.61Å; V394-L427 HydrophobicContact CG1-CD2 3.92Å; V394-L427 HydrophobicContact CG1-CG 3.85Å; V394-F434 HydrophobicContact CB-CE2 4.45Å; V394-F434 HydrophobicContact CB-CZ 3.94Å; V394-F434 HydrophobicContact CG1-CE2 4.08Å; V394-F434 HydrophobicContact CG1-CZ 3.72Å; V394-F434 WeakPolarHBondContact O-CE1 3.25Å; V394-F434 WeakPolarHBondContact O-CZ 3.39Å; V394-L436 HydrophobicContact CB-CD1 4.21Å; V394-L436 HydrophobicContact CB-CD2 3.83Å; V394-L436 HydrophobicContact CG1-CD1 4.34Å; V394-L436 HydrophobicContact CG2-CD1 3.92Å; V394-L436 HydrophobicContact CG2-CD2 3.43Å; V394-L436 VanDerWaalsContact CG2-CD2 3.43Å; V394-L436 HydrophobicContact CG2-CG 4.37Å; V394-L443 HydrophobicContact CG2-CD1 4.46Å; V394-W468 HydrophobicContact CG1-CH2 4.09Å; V394-W468 HydrophobicContact CG1-CZ2 4.02Å; V394-W468 HydrophobicContact CG2-CH2 4.29Å; V394-W468 HydrophobicContact CG2-CZ2 4.11Å
395	G	97.8	Very high	93.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.183	C	C	.	.			trans	57.7	-140	171	0	0	0	0	0	114	R379 V408 T410	R379-G395 WeakPolarHBondContact CD-O 3.48Å; G395-V408 WeakPolarHBondContact CA-O 3.19Å; G395-T410 PolarHBondContact N-O 2.84Å; G395-T410 VanDerWaalsContact N-O 3.13Å
396	G	96.1	Very high	93.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.192	C	C	.	.			trans	83.5	-150.5	-175.6	0	0	0	0	0	111.9	A407 V408 R431	G396-A407 CarbonylContact O-C 3.16Å; G396-A407 WeakPolarHBondContact O-CA 3.48Å; G396-V408 WeakPolarHBondContact O-CG2 3.33Å; G396-V408 PolarHBondContact O-N 3.15Å; G396-R431 PolarHBondContact N-O 2.96Å
397	Q	92.7	Very high	93.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-143.7	145.5	-174.8	-65.9	178	111.5	0	0	110.7	R379 Y380 D401 G404 T406 T432	R379-Q397 WeakPolarHBondContact CA-O 3.2Å; Y380-Q397 HydrophobicContact CD1-CB 4.03Å; Y380-Q397 VanDerWaalsContact CD1-O 3.3Å; Y380-Q397 WeakPolarHBondContact CD1-O 3.43Å; Y380-Q397 HydrophobicContact CE1-CB 3.35Å; Y380-Q397 HydrophobicContact CE1-CG 4.45Å; Y380-Q397 PolarHBondContact N-O 2.91Å; Y380-Q397 PolarHBondContact O-N 3.08Å; Y380-Q397 PolarHBondContact OH-NE2 3.27Å; Q397-D401 PolarHBondContact NE2-O 3.46Å; Q397-D401 VanDerWaalsContact NE2-O 3.14Å; Q397-G404 VanDerWaalsContact OE1-CA 3.32Å; Q397-T406 PolarHBondContact OE1-OG1 3.48Å; Q397-T432 HydrophobicContact CG-CG2 4.13Å; Q397-T432 PolarHBondContact NE2-OG1 3.27Å
398	S	89.2	Confident	93.2	Very high	32 Å²	32	35.5 Å²	35.5	22%	0.224	19%	0.188	C	C	.	.	S	Bend	trans	-87.6	-25.7	173.8	-76.5	0	0	0	0	113.8	V355 P378 R379	V355-S398 WeakPolarHBondContact CB-O 3.27Å; V355-S398 VanDerWaalsContact CG2-O 3.23Å; V355-S398 WeakPolarHBondContact CG2-O 3.3Å; P378-S398 WeakPolarHBondContact O-CA 3.34Å; P378-S398 PolarHBondContact O-OG 3.01Å; R379-S398 PolarHBondContact NH1-OG 3.25Å
399	N	86.9	Confident	93.3	Very high	104 Å²	104	36.2 Å²	36.2	56%	0.556	19%	0.186	S	C	*	.	S	Bend	trans	-124.4	142.3	-175.7	-62.7	-27.3	0	0	0	109.3	Y380 D401 T406	Y380-N399 VanDerWaalsContact CE1-O 3.26Å; Y380-N399 WeakPolarHBondContact CE1-O 3.48Å; Y380-N399 PolarHBondContact OH-O 2.97Å; N399-D401 PolarHBondContact O-N 3.36Å; N399-D401 VanDerWaalsContact O-N 3.11Å; N399-T406 HydrophobicContact CB-CG2 4.43Å; N399-T406 PolarHBondContact O-OG1 2.99Å; N399-T406 VanDerWaalsContact O-OG1 3.13Å
400	Y	85.9	Confident	93.3	Very high	72 Å²	72	35.6 Å²	35.6	28%	0.282	18%	0.183	S	C	.	.			trans	-59.2	114.7	178.9	-179.2	-91.4	0	0	0	112.2	V348 R350 L353 T402	V348-Y400 HydrophobicContact CG1-CD2 4.14Å; V348-Y400 HydrophobicContact CG1-CE2 4.48Å; V348-Y400 HydrophobicContact CG2-CD2 3.94Å; R350-Y400 HydrophobicContact CG-CE2 4.19Å; R350-Y400 PolarHBondContact NE-OH 2.83Å; L353-Y400 HydrophobicContact CD2-CD1 3.6Å; L353-Y400 HydrophobicContact CD2-CE1 4.11Å; L353-Y400 HydrophobicContact CD2-CG 3.87Å; Y400-T402 HydrophobicContact CE1-CG2 4.23Å
401	D	87.1	Confident	93.4	Very high	30 Å²	30	35.4 Å²	35.4	16%	0.16	18%	0.182	C	C	.	.			trans	-149.5	132.9	173.5	-179.5	74.4	0	0	0	110.6	Y380 Q397 N399 K403 G404 K405 T406	Y380-D401 PolarHBondContact OH-N 3.21Å; Y380-D401 PolarHBondContact OH-O 3.38Å; Q397-D401 PolarHBondContact NE2-O 3.46Å; Q397-D401 VanDerWaalsContact NE2-O 3.14Å; N399-D401 PolarHBondContact O-N 3.36Å; N399-D401 VanDerWaalsContact O-N 3.11Å; D401-K403 VanDerWaalsContact OD2-C 3.29Å; D401-K403 WeakPolarHBondContact OD2-CA 3.44Å; D401-K403 PolarHBondContact OD2-N 3.48Å; D401-G404 WeakPolarHBondContact OD2-CA 3.32Å; D401-G404 PolarHBondContact OD2-N 2.87Å; D401-K405 PolarHBondContact OD2-N 3.08Å; D401-T406 HydrophobicContact CB-CG2 4.25Å
402	T	83.3	Confident	93.3	Very high	79 Å²	79	36.4 Å²	36.4	49%	0.485	19%	0.187	S	C	.	.	S	Bend	trans	-93.7	-6.3	-178.9	56.1	0	0	0	0	113.2	Y400	Y400-T402 HydrophobicContact CE1-CG2 4.23Å
403	K	86.3	Confident	93.3	Very high	125 Å²	125	36.6 Å²	36.6	54%	0.543	19%	0.187	S	C	.	.	S	Bend	trans	-107.2	-4.3	-173.2	-65.7	-166.9	177.1	-169.2	0	114	D401 K405 R449	D401-K403 VanDerWaalsContact OD2-C 3.29Å; D401-K403 WeakPolarHBondContact OD2-CA 3.44Å; D401-K403 PolarHBondContact OD2-N 3.48Å; K403-K405 HydrophobicContact CB-CG 4.37Å; K403-R449 VanDerWaalsContact C-NE 3.27Å; K403-R449 PolarHBondContact O-NE 2.89Å; K403-R449 PolarHBondContact O-NH2 3.35Å
404	G	88.1	Confident	93.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	83.2	12.3	-178.7	0	0	0	0	0	114.7	Q397 D401 T406 A407 N450 A451	Q397-G404 VanDerWaalsContact OE1-CA 3.32Å; D401-G404 WeakPolarHBondContact OD2-CA 3.32Å; D401-G404 PolarHBondContact OD2-N 2.87Å; G404-T406 PolarHBondContact O-N 2.88Å; G404-A407 WeakPolarHBondContact O-CB 3.15Å; G404-A407 PolarHBondContact O-N 3.16Å; G404-N450 CarbonylContact O-C 3.59Å; G404-N450 VanDerWaalsContact O-CA 3.25Å; G404-N450 WeakPolarHBondContact O-CA 3.38Å; G404-A451 PolarHBondContact O-N 3.37Å; G404-A451 VanDerWaalsContact O-N 3.13Å
405	K	91.2	Very high	93.2	Very high	143 Å²	143	37.2 Å²	37.2	62%	0.622	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-28.3	-176	-68.5	-177.1	176.8	-175.6	0	113.1	D401 K403	D401-K405 PolarHBondContact OD2-N 3.08Å; K403-K405 HydrophobicContact CB-CG 4.37Å
406	T	94.1	Very high	93	Very high	47 Å²	47	37.5 Å²	37.5	29%	0.288	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	19.2	-177.5	60.7	0	0	0	0	112.1	Q397 N399 D401 G404	Q397-T406 PolarHBondContact OE1-OG1 3.48Å; N399-T406 HydrophobicContact CB-CG2 4.43Å; N399-T406 PolarHBondContact O-OG1 2.99Å; N399-T406 VanDerWaalsContact O-OG1 3.13Å; D401-T406 HydrophobicContact CB-CG2 4.25Å; G404-T406 PolarHBondContact O-N 2.88Å
407	A	96.8	Very high	92.8	Very high	10 Å²	10	39 Å²	39	8%	0.083	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-55.2	142.2	177	0	0	0	0	0	111.2	G396 G404 K430 T432 N450	G396-A407 CarbonylContact O-C 3.16Å; G396-A407 WeakPolarHBondContact O-CA 3.48Å; G404-A407 WeakPolarHBondContact O-CB 3.15Å; G404-A407 PolarHBondContact O-N 3.16Å; A407-K430 HydrophobicContact CB-CB 4.02Å; A407-K430 WeakPolarHBondContact O-CD 3.31Å; A407-T432 HydrophobicContact CB-CG2 4.2Å; A407-N450 HydrophobicContact CB-CB 3.93Å
408	V	97.2	Very high	92.6	Very high	29 Å²	29	42.6 Å²	42.6	18%	0.176	21%	0.212	C	C	.	.			trans	-119.5	164.8	175.5	-60	0	0	0	0	111	G395 G396 R431	G395-V408 WeakPolarHBondContact CA-O 3.19Å; G396-V408 WeakPolarHBondContact O-CG2 3.33Å; G396-V408 PolarHBondContact O-N 3.15Å; V408-R431 PolarHBondContact O-N 2.98Å
409	D	97.6	Very high	92.8	Very high	45 Å²	45	44.1 Å²	44.1	24%	0.241	22%	0.218	C	C	.	.			trans	-111.5	-11.9	-179.9	46.4	25.4	0	0	0	112.4	S426 L427 K430	D409-S426 CarbonylContact O-C 3.58Å; D409-S426 VanDerWaalsContact O-CA 3.29Å; D409-S426 WeakPolarHBondContact O-CA 3.47Å; D409-S426 WeakPolarHBondContact O-CB 3.23Å; D409-L427 HydrophobicContact CB-CB 4.05Å; D409-L427 PolarHBondContact O-N 2.67Å; D409-K430 HydrophobicContact CB-CG 3.83Å; D409-K430 VanDerWaalsContact OD2-CE 3.31Å; D409-K430 WeakPolarHBondContact OD2-CE 3.49Å
410	T	98.1	Very high	93.1	Very high	27 Å²	27	46 Å²	46	17%	0.166	22%	0.221	C	C	.	.			trans	-59.9	142	-176	60.3	0	0	0	0	112	R379 G395	R379-T410 PolarHBondContact NH2-OG1 3.23Å; G395-T410 PolarHBondContact N-O 2.84Å; G395-T410 VanDerWaalsContact N-O 3.13Å
411	V	98.3	Very high	93.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	129.3	176.5	-174.3	0	0	0	0	110.4	Y392 V393 V394 Q423 V424 A425 L427 W468	Y392-V411 HydrophobicContact CD1-CG1 4.24Å; V393-V411 WeakPolarHBondContact O-CA 3.35Å; V394-V411 HydrophobicContact CB-CG1 4.47Å; V394-V411 HydrophobicContact CB-CG2 4.31Å; V394-V411 HydrophobicContact CG1-CG2 3.92Å; V394-V411 HydrophobicContact CG2-CG1 3.63Å; V394-V411 HydrophobicContact CG2-CG2 4.16Å; V411-Q423 WeakPolarHBondContact O-CA 3.48Å; V411-Q423 WeakPolarHBondContact O-CG 3.49Å; V411-V424 HydrophobicContact CB-CG2 3.66Å; V411-V424 HydrophobicContact CG1-CG2 3.36Å; V411-V424 PolarHBondContact O-N 3.16Å; V411-A425 WeakPolarHBondContact CB-O 3.48Å; V411-A425 WeakPolarHBondContact CG2-O 3.38Å; V411-L427 HydrophobicContact CG2-CG 4.39Å; V411-W468 HydrophobicContact CG2-CZ2 4Å
412	F	98.1	Very high	94.2	Very high	22 Å²	22	45.7 Å²	45.7	10%	0.096	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	144.8	177.5	-63.6	-86.8	0	0	0	110.5	M375 Y392 V393 W421 M422 Q423	M375-F412 HydrophobicContact CE-CB 4.04Å; M375-F412 HydrophobicContact CE-CD2 3.58Å; M375-F412 HydrophobicContact CE-CE2 4.27Å; M375-F412 HydrophobicContact CE-CG 3.93Å; Y392-F412 CarbonylContact C-O 3.26Å; Y392-F412 WeakPolarHBondContact CA-O 3.14Å; V393-F412 PolarHBondContact N-O 3.08Å; V393-F412 PolarHBondContact O-N 3.2Å; F412-W421 HydrophobicContact CB-CE3 3.84Å; F412-W421 HydrophobicContact CB-CZ3 4.13Å; F412-M422 CarbonylContact C-O 3.58Å; F412-M422 WeakPolarHBondContact CA-O 3.47Å; F412-Q423 HydrophobicContact CD1-CB 4.04Å; F412-Q423 HydrophobicContact CD1-CG 4.38Å; F412-Q423 HydrophobicContact CE1-CB 3.9Å; F412-Q423 HydrophobicContact CE1-CG 4.09Å; F412-Q423 HydrophobicContact CZ-CG 4.49Å
413	R	98	Very high	94.8	Very high	3 Å²	3	46.8 Å²	46.8	1%	0.011	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	126.7	173.9	-173.4	-171.7	75.6	172.5	8.6	109.5	P322 P326 F390 L391 Y392 W421 M422 V424	P322-R413 VanDerWaalsContact O-CZ 3.3Å; P322-R413 PolarHBondContact O-NH1 3.14Å; P322-R413 PolarHBondContact O-NH2 2.68Å; P326-R413 VanDerWaalsContact CD-NH1 3.3Å; P326-R413 VanDerWaalsContact CG-NH1 3.32Å; F390-R413 HydrophobicContact CB-CG 3.96Å; F390-R413 HydrophobicContact CD1-CG 4.31Å; L391-R413 CarbonylContact O-C 3.51Å; L391-R413 VanDerWaalsContact O-CA 3.3Å; L391-R413 WeakPolarHBondContact O-CA 3.49Å; Y392-R413 HydrophobicContact CD1-CB 4.15Å; Y392-R413 HydrophobicContact CD1-CG 4.29Å; Y392-R413 HydrophobicContact CD2-CG 4.34Å; Y392-R413 HydrophobicContact CE1-CB 4Å; Y392-R413 HydrophobicContact CE1-CG 3.99Å; Y392-R413 HydrophobicContact CE2-CG 4.02Å; Y392-R413 HydrophobicContact CG-CG 4.49Å; R413-W421 CarbonylContact O-C 3.56Å; R413-W421 WeakPolarHBondContact O-CA 3.18Å; R413-M422 HydrophobicContact CB-CG 4.15Å; R413-M422 PolarHBondContact N-O 2.98Å; R413-M422 PolarHBondContact NH2-SD 3.28Å; R413-M422 PolarHBondContact O-N 3.22Å; R413-V424 HydrophobicContact CB-CG1 4.18Å
414	F	98.2	Very high	95.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	131.3	170.6	-179.6	-109.8	0	0	0	110.5	L359 L372 A373 L391 P416 N419 W421 L634	L359-F414 HydrophobicContact CD2-CD1 3.84Å; L359-F414 HydrophobicContact CD2-CD2 3.91Å; L359-F414 HydrophobicContact CD2-CE1 3.69Å; L359-F414 HydrophobicContact CD2-CE2 3.77Å; L359-F414 HydrophobicContact CD2-CG 3.94Å; L359-F414 HydrophobicContact CD2-CZ 3.65Å; L372-F414 HydrophobicContact CB-CZ 4.34Å; L372-F414 HydrophobicContact CD1-CE1 4.26Å; L372-F414 HydrophobicContact CD1-CZ 4.23Å; A373-F414 HydrophobicContact CB-CE2 4.31Å; L391-F414 HydrophobicContact CB-CB 4.15Å; L391-F414 PolarHBondContact N-O 3.4Å; L391-F414 PolarHBondContact O-N 2.84Å; F414-P416 HydrophobicContact CD1-CB 4.41Å; F414-P416 HydrophobicContact CE1-CB 3.92Å; F414-N419 WeakPolarHBondContact CE2-OD1 3.26Å; F414-N419 WeakPolarHBondContact CZ-OD1 3.45Å; F414-W421 HydrophobicContact CB-CD2 3.87Å; F414-W421 HydrophobicContact CB-CE3 3.62Å; F414-W421 HydrophobicContact CB-CH2 3.65Å; F414-W421 HydrophobicContact CB-CZ2 3.89Å; F414-W421 HydrophobicContact CB-CZ3 3.52Å; F414-W421 AromaticContact CD2-CD2 3.88Å; F414-W421 HydrophobicContact CD2-CD2 3.88Å; F414-W421 AromaticContact CD2-CE2 3.56Å; F414-W421 HydrophobicContact CD2-CG 4.18Å; F414-W421 AromaticContact CD2-CZ2 3.97Å; F414-W421 HydrophobicContact CD2-CZ2 3.97Å; F414-W421 AromaticContact CD2-NE1 3.62Å; F414-W421 HydrophobicContact CG-CD2 4.36Å; F414-W421 HydrophobicContact CG-CH2 4.36Å; F414-W421 HydrophobicContact CG-CZ2 4.13Å; F414-L634 HydrophobicContact CD1-CD1 4.32Å
415	D	95.9	Very high	95.9	Very high	14 Å²	14	42.2 Å²	42.2	8%	0.075	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	105.4	172.9	-171.4	-18.9	0	0	0	109.7	F390 R417 Y418 N419 K420	F390-D415 HydrophobicContact CD1-CB 4.11Å; F390-D415 HydrophobicContact CE1-CB 3.99Å; F390-D415 VanDerWaalsContact CE1-CG 3.46Å; F390-D415 WeakPolarHBondContact CE1-OD2 3.34Å; D415-R417 PolarHBondContact O-N 2.68Å; D415-R417 VanDerWaalsContact O-N 3.16Å; D415-R417 WeakPolarHBondContact OD1-CB 3.35Å; D415-R417 VanDerWaalsContact OD1-CG 3.31Å; D415-R417 WeakPolarHBondContact OD1-CG 3.43Å; D415-R417 IonicContact OD1-CZ 3.81Å; D415-R417 PolarHBondContact OD1-N 3.04Å; D415-R417 IonicContact OD1-NE 2.63Å; D415-R417 PolarHBondContact OD1-NE 3.04Å; D415-R417 IonicContact OD1-NH2 2.62Å; D415-R417 IonicContact OD2-CZ 2.95Å; D415-R417 IonicContact OD2-NE 3.08Å; D415-R417 PolarHBondContact OD2-NE 2.68Å; D415-R417 IonicContact OD2-NH2 2.69Å; D415-R417 PolarHBondContact OD2-NH2 3.29Å; D415-Y418 PolarHBondContact O-N 3.5Å; D415-Y418 WeakPolarHBondContact OD2-CD2 3.45Å; D415-N419 PolarHBondContact O-N 3.26Å; D415-K420 PolarHBondContact N-O 3.37Å; D415-K420 PolarHBondContact O-N 2.89Å
416	P	94.9	Very high	96.3	Very high	5 Å²	5	37.6 Å²	37.6	3%	0.032	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-12.1	-178.1	28.7	-35.4	0	0	0	113.4	I335 N389 F414 V636	I335-P416 HydrophobicContact CD1-CB 3.94Å; I335-P416 HydrophobicContact CD1-CG 3.97Å; N389-P416 WeakPolarHBondContact ND2-CG 3.46Å; N389-P416 VanDerWaalsContact O-CD 3.32Å; N389-P416 WeakPolarHBondContact O-CD 3.36Å; N389-P416 WeakPolarHBondContact O-CG 3.37Å; F414-P416 HydrophobicContact CD1-CB 4.41Å; F414-P416 HydrophobicContact CE1-CB 3.92Å; P416-V636 HydrophobicContact CB-CB 3.87Å; P416-V636 HydrophobicContact CB-CG2 3.81Å
417	R	90.1	Very high	96.5	Very high	31 Å²	31	35.8 Å²	35.8	12%	0.117	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-33.6	-179	-57.7	170.1	-58.7	156.4	5	111.4	L286 Y318 I335 D415	L286-R417 HydrophobicContact CD2-CG 4.44Å; Y318-R417 PolarHBondContact OH-NH1 2.82Å; I335-R417 HydrophobicContact CD1-CB 4.36Å; I335-R417 HydrophobicContact CD1-CG 3.72Å; I335-R417 HydrophobicContact CG1-CB 4.23Å; I335-R417 HydrophobicContact CG1-CG 3.43Å; I335-R417 VanDerWaalsContact CG1-CG 3.43Å; D415-R417 PolarHBondContact O-N 2.68Å; D415-R417 VanDerWaalsContact O-N 3.16Å; D415-R417 WeakPolarHBondContact OD1-CB 3.35Å; D415-R417 VanDerWaalsContact OD1-CG 3.31Å; D415-R417 WeakPolarHBondContact OD1-CG 3.43Å; D415-R417 IonicContact OD1-CZ 3.81Å; D415-R417 PolarHBondContact OD1-N 3.04Å; D415-R417 IonicContact OD1-NE 2.63Å; D415-R417 PolarHBondContact OD1-NE 3.04Å; D415-R417 IonicContact OD1-NH2 2.62Å; D415-R417 IonicContact OD2-CZ 2.95Å; D415-R417 IonicContact OD2-NE 3.08Å; D415-R417 PolarHBondContact OD2-NE 2.68Å; D415-R417 IonicContact OD2-NH2 2.69Å; D415-R417 PolarHBondContact OD2-NH2 3.29Å
418	Y	89.2	Confident	96.5	Very high	77 Å²	77	39.4 Å²	39.4	30%	0.302	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.1	1.7	-176.4	-51.2	-62.5	0	0	0	112.9	L286 D415 K420	L286-Y418 VanDerWaalsContact C-OH 3.24Å; L286-Y418 WeakPolarHBondContact CA-OH 3.35Å; L286-Y418 PolarHBondContact O-OH 3.25Å; D415-Y418 PolarHBondContact O-N 3.5Å; D415-Y418 WeakPolarHBondContact OD2-CD2 3.45Å; Y418-K420 VanDerWaalsContact C-N 3.33Å; Y418-K420 WeakPolarHBondContact O-CG 3.21Å; Y418-K420 PolarHBondContact O-N 3.06Å
419	N	93.4	Very high	96.5	Very high	63 Å²	63	40.5 Å²	40.5	34%	0.337	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	51	-174.3	-168.4	30.2	0	0	0	111.5	A373 F414 D415	A373-N419 WeakPolarHBondContact CB-O 3.39Å; A373-N419 WeakPolarHBondContact CB-OD1 3.38Å; A373-N419 PolarHBondContact N-ND2 2.87Å; A373-N419 PolarHBondContact N-OD1 3.49Å; F414-N419 WeakPolarHBondContact CE2-OD1 3.26Å; F414-N419 WeakPolarHBondContact CZ-OD1 3.45Å; D415-N419 PolarHBondContact O-N 3.26Å
420	K	94.5	Very high	96.5	Very high	143 Å²	143	43.4 Å²	43.4	62%	0.622	21%	0.211	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-135.2	147.1	-173	-79.9	176.8	-176.3	-178.5	0	112.4	D415 Y418	D415-K420 PolarHBondContact N-O 3.37Å; D415-K420 PolarHBondContact O-N 2.89Å; Y418-K420 VanDerWaalsContact C-N 3.33Å; Y418-K420 WeakPolarHBondContact O-CG 3.21Å; Y418-K420 PolarHBondContact O-N 3.06Å
421	W	97.4	Very high	96.5	Very high	43 Å²	43	42.1 Å²	42.1	16%	0.163	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	150.7	172.9	-66.6	94.6	0	0	0	111.2	L345 L359 A373 P374 M375 L391 V393 F412 R413 F414	L345-W421 HydrophobicContact CD1-CH2 4.43Å; L345-W421 HydrophobicContact CD1-CZ2 4.33Å; L345-W421 HydrophobicContact CD2-CH2 4.19Å; L359-W421 HydrophobicContact CB-CZ2 4.29Å; L359-W421 HydrophobicContact CD1-CZ2 4.42Å; L359-W421 HydrophobicContact CD2-CZ2 3.82Å; L359-W421 HydrophobicContact CG-CZ2 4.4Å; A373-W421 PolarHBondContact O-NE1 3.29Å; P374-W421 VanDerWaalsContact O-CD1 3.32Å; P374-W421 PolarHBondContact O-NE1 2.8Å; M375-W421 HydrophobicContact CG-CD2 4.26Å; M375-W421 HydrophobicContact CG-CE3 4.47Å; M375-W421 HydrophobicContact CG-CH2 3.86Å; M375-W421 HydrophobicContact CG-CZ2 3.59Å; M375-W421 HydrophobicContact CG-CZ3 4.29Å; M375-W421 HydrophobicContact SD-CH2 4.24Å; L391-W421 HydrophobicContact CD2-CH2 4.23Å; V393-W421 HydrophobicContact CB-CZ3 4.32Å; V393-W421 HydrophobicContact CG2-CH2 3.6Å; V393-W421 HydrophobicContact CG2-CZ3 3.56Å; F412-W421 HydrophobicContact CB-CE3 3.84Å; F412-W421 HydrophobicContact CB-CZ3 4.13Å; R413-W421 CarbonylContact O-C 3.56Å; R413-W421 WeakPolarHBondContact O-CA 3.18Å; F414-W421 HydrophobicContact CB-CD2 3.87Å; F414-W421 HydrophobicContact CB-CE3 3.62Å; F414-W421 HydrophobicContact CB-CH2 3.65Å; F414-W421 HydrophobicContact CB-CZ2 3.89Å; F414-W421 HydrophobicContact CB-CZ3 3.52Å; F414-W421 AromaticContact CD2-CD2 3.88Å; F414-W421 HydrophobicContact CD2-CD2 3.88Å; F414-W421 AromaticContact CD2-CE2 3.56Å; F414-W421 HydrophobicContact CD2-CG 4.18Å; F414-W421 AromaticContact CD2-CZ2 3.97Å; F414-W421 HydrophobicContact CD2-CZ2 3.97Å; F414-W421 AromaticContact CD2-NE1 3.62Å; F414-W421 HydrophobicContact CG-CD2 4.36Å; F414-W421 HydrophobicContact CG-CH2 4.36Å; F414-W421 HydrophobicContact CG-CZ2 4.13Å
422	M	96.6	Very high	96.4	Very high	53 Å²	53	42.1 Å²	42.1	26%	0.261	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	146.8	164.4	68	-178.4	-64.7	0	0	110.3	P322 Y323 F412 R413	P322-M422 HydrophobicContact CB-CE 4.34Å; Y323-M422 HydrophobicContact CD1-CE 3.95Å; Y323-M422 HydrophobicContact CE1-CE 3.56Å; F412-M422 CarbonylContact C-O 3.58Å; F412-M422 WeakPolarHBondContact CA-O 3.47Å; R413-M422 HydrophobicContact CB-CG 4.15Å; R413-M422 PolarHBondContact N-O 2.98Å; R413-M422 PolarHBondContact NH2-SD 3.28Å; R413-M422 PolarHBondContact O-N 3.22Å
423	Q	97.6	Very high	96.3	Very high	102 Å²	102	42 Å²	42	48%	0.477	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	139.2	171.1	-168.6	171	-8.5	0	0	110	V411 F412	V411-Q423 WeakPolarHBondContact O-CA 3.48Å; V411-Q423 WeakPolarHBondContact O-CG 3.49Å; F412-Q423 HydrophobicContact CD1-CB 4.04Å; F412-Q423 HydrophobicContact CD1-CG 4.38Å; F412-Q423 HydrophobicContact CE1-CB 3.9Å; F412-Q423 HydrophobicContact CE1-CG 4.09Å; F412-Q423 HydrophobicContact CZ-CG 4.49Å
424	V	98.3	Very high	96.3	Very high	7 Å²	7	42.2 Å²	42.2	4%	0.042	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	-178.4	171.3	-59.3	0	0	0	0	108.9	Y323 Y392 V411 R413 S426 N466	Y323-V424 HydrophobicContact CD1-CG1 4.07Å; Y323-V424 HydrophobicContact CE1-CG1 4.34Å; Y392-V424 HydrophobicContact CD1-CG2 4.48Å; Y392-V424 HydrophobicContact CE1-CG2 4.24Å; V411-V424 HydrophobicContact CB-CG2 3.66Å; V411-V424 HydrophobicContact CG1-CG2 3.36Å; V411-V424 PolarHBondContact O-N 3.16Å; R413-V424 HydrophobicContact CB-CG1 4.18Å; V424-S426 PolarHBondContact O-N 2.81Å; V424-N466 WeakPolarHBondContact CB-OD1 3.41Å
425	A	98.5	Very high	96.3	Very high	23 Å²	23	43.2 Å²	43.2	19%	0.19	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-55.6	135.3	-178.6	0	0	0	0	0	112.5	V411 Y461 N466 W468	V411-A425 WeakPolarHBondContact CB-O 3.48Å; V411-A425 WeakPolarHBondContact CG2-O 3.38Å; A425-Y461 HydrophobicContact CB-CE2 4.35Å; A425-N466 WeakPolarHBondContact CB-O 3.47Å; A425-N466 PolarHBondContact N-OD1 2.89Å; A425-W468 PolarHBondContact O-NE1 2.76Å
426	S	98.5	Very high	96.4	Very high	46 Å²	46	43.1 Å²	43.1	32%	0.322	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-71.2	154.3	175.6	-63.1	0	0	0	0	111.1	D409 V424	D409-S426 CarbonylContact O-C 3.58Å; D409-S426 VanDerWaalsContact O-CA 3.29Å; D409-S426 WeakPolarHBondContact O-CA 3.47Å; D409-S426 WeakPolarHBondContact O-CB 3.23Å; V424-S426 PolarHBondContact O-N 2.81Å
427	L	98.6	Very high	96.6	Very high	8 Å²	8	43.5 Å²	43.5	4%	0.042	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-56.4	153.4	169.1	-68.4	165.3	0	0	0	111.3	V394 D409 V411 E429 R431 A445 E459 W468	V394-L427 HydrophobicContact CG1-CD1 3.61Å; V394-L427 HydrophobicContact CG1-CD2 3.92Å; V394-L427 HydrophobicContact CG1-CG 3.85Å; D409-L427 HydrophobicContact CB-CB 4.05Å; D409-L427 PolarHBondContact O-N 2.67Å; V411-L427 HydrophobicContact CG2-CG 4.39Å; L427-E429 VanDerWaalsContact CB-O 3.28Å; L427-E429 WeakPolarHBondContact CB-O 3.4Å; L427-R431 HydrophobicContact CD1-CB 4.3Å; L427-R431 HydrophobicContact CD1-CG 4.47Å; L427-A445 HydrophobicContact CD2-CB 3.95Å; L427-E459 HydrophobicContact CD2-CB 4.48Å; L427-W468 HydrophobicContact CD2-CD2 3.73Å; L427-W468 HydrophobicContact CD2-CE3 3.73Å; L427-W468 HydrophobicContact CD2-CG 4.45Å; L427-W468 HydrophobicContact CD2-CH2 3.77Å; L427-W468 HydrophobicContact CD2-CZ2 3.77Å; L427-W468 HydrophobicContact CD2-CZ3 3.75Å; L427-W468 HydrophobicContact CG-CZ2 4.46Å
428	N	98.4	Very high	97	Very high	86 Å²	86	43.6 Å²	43.6	46%	0.46	22%	0.217	S	C	.	.	S	Bend	trans	-71.6	-34.7	170.5	-60.9	-79	0	0	0	111.2	E459 W468 Y470	N428-E459 VanDerWaalsContact CB-OE2 3.24Å; N428-E459 WeakPolarHBondContact CB-OE2 3.32Å; N428-E459 PolarHBondContact N-OE2 2.86Å; N428-E459 PolarHBondContact ND2-OE2 3.2Å; N428-W468 VanDerWaalsContact ND2-CB 3.34Å; N428-W468 WeakPolarHBondContact ND2-CB 3.46Å; N428-W468 PolarHBondContact ND2-O 3.03Å; N428-Y470 HydrophobicContact CB-CE2 3.82Å; N428-Y470 WeakPolarHBondContact CB-OH 3.3Å
429	E	96.6	Very high	97.4	Very high	52 Å²	52	40.1 Å²	40.1	24%	0.243	20%	0.204	C	C	.	.	S	Bend	trans	-119.8	133.8	174.6	-81.9	165.1	-152.9	0	0	111.4	L427 R431 T457 E459 Y470	L427-E429 VanDerWaalsContact CB-O 3.28Å; L427-E429 WeakPolarHBondContact CB-O 3.4Å; E429-R431 WeakPolarHBondContact O-CG 3.19Å; E429-R431 PolarHBondContact O-N 2.79Å; E429-R431 IonicContact OE2-CZ 2.78Å; E429-R431 IonicContact OE2-NH2 3.58Å; E429-R431 PolarHBondContact OE2-NH2 2.81Å; E429-T457 PolarHBondContact OE2-OG1 2.81Å; E429-E459 PolarHBondContact N-OE1 3.34Å; E429-Y470 VanDerWaalsContact CD-OH 3.3Å; E429-Y470 WeakPolarHBondContact CG-OH 3.32Å; E429-Y470 PolarHBondContact OE1-OH 2.88Å
430	K	97.8	Very high	97.6	Very high	107 Å²	107	41.9 Å²	41.9	47%	0.465	21%	0.208	S	C	.	.			trans	-61.4	135.7	171.2	-64.2	172.3	177.4	-173.4	0	109.5	A407 D409 N450	A407-K430 HydrophobicContact CB-CB 4.02Å; A407-K430 WeakPolarHBondContact O-CD 3.31Å; D409-K430 HydrophobicContact CB-CG 3.83Å; D409-K430 VanDerWaalsContact OD2-CE 3.31Å; D409-K430 WeakPolarHBondContact OD2-CE 3.49Å; K430-N450 HydrophobicContact CB-CB 4.49Å; K430-N450 WeakPolarHBondContact O-CB 3.33Å; K430-N450 PolarHBondContact O-ND2 3.08Å
431	R	97.4	Very high	97.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.192	C	C	.	.			trans	-143.8	141.4	-175.3	-66.6	169.1	-167.5	-88.8	-3	112.3	G396 V408 L427 E429 F434 G447 L455 T457 E459	G396-R431 PolarHBondContact N-O 2.96Å; V408-R431 PolarHBondContact O-N 2.98Å; L427-R431 HydrophobicContact CD1-CB 4.3Å; L427-R431 HydrophobicContact CD1-CG 4.47Å; E429-R431 WeakPolarHBondContact O-CG 3.19Å; E429-R431 PolarHBondContact O-N 2.79Å; E429-R431 IonicContact OE2-CZ 2.78Å; E429-R431 IonicContact OE2-NH2 3.58Å; E429-R431 PolarHBondContact OE2-NH2 2.81Å; R431-F434 HydrophobicContact CB-CB 4.39Å; R431-F434 HydrophobicContact CB-CD1 3.66Å; R431-F434 HydrophobicContact CB-CE1 4.06Å; R431-F434 HydrophobicContact CB-CG 4.02Å; R431-G447 PolarHBondContact NH1-O 3.36Å; R431-L455 HydrophobicContact CG-CD1 3.62Å; R431-T457 PolarHBondContact NH1-O 2.84Å; R431-T457 PolarHBondContact NH1-OG1 3.39Å; R431-T457 VanDerWaalsContact NH1-OG1 3.12Å; R431-T457 VanDerWaalsContact NH2-CB 3.31Å; R431-T457 PolarHBondContact NH2-OG1 2.85Å; R431-E459 IonicContact CZ-OE1 3.27Å; R431-E459 VanDerWaalsContact CZ-OE1 3.25Å; R431-E459 IonicContact NE-OE1 3.97Å; R431-E459 PolarHBondContact NE-OE1 3.5Å; R431-E459 IonicContact NH2-OE1 3.73Å; R431-E459 PolarHBondContact NH2-OE1 2.95Å
432	T	97.1	Very high	97.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-137.1	163.2	165.3	-176	0	0	0	0	109.4	Q381 Q397 A407 F434 G448 R449	Q381-T432 VanDerWaalsContact CB-OG1 3.29Å; Q381-T432 WeakPolarHBondContact CB-OG1 3.36Å; Q381-T432 PolarHBondContact O-OG1 2.96Å; Q397-T432 HydrophobicContact CG-CG2 4.13Å; Q397-T432 PolarHBondContact NE2-OG1 3.27Å; A407-T432 HydrophobicContact CB-CG2 4.2Å; T432-F434 PolarHBondContact O-N 3.3Å; T432-G448 CarbonylContact O-C 3.6Å; T432-G448 VanDerWaalsContact O-CA 3.29Å; T432-G448 WeakPolarHBondContact O-CA 3.18Å; T432-R449 HydrophobicContact CG2-CG 3.87Å; T432-R449 WeakPolarHBondContact CG2-O 3.34Å; T432-R449 PolarHBondContact N-O 3.46Å; T432-R449 PolarHBondContact O-N 3.46Å
433	F	96.1	Very high	97.8	Very high	18 Å²	18	34.1 Å²	34.1	8%	0.079	18%	0.183	C	C	.	.	S	Bend	trans	53.2	35.4	-178.1	-61.8	-85.1	0	0	0	113.4	Q381 R449 Y479 G480 L527	Q381-F433 HydrophobicContact CB-CD1 4.41Å; Q381-F433 HydrophobicContact CB-CD2 4.5Å; Q381-F433 HydrophobicContact CB-CE1 4.4Å; Q381-F433 HydrophobicContact CB-CE2 4.46Å; Q381-F433 HydrophobicContact CB-CG 4.47Å; Q381-F433 HydrophobicContact CB-CZ 4.42Å; Q381-F433 HydrophobicContact CG-CD1 3.99Å; Q381-F433 HydrophobicContact CG-CE1 3.57Å; Q381-F433 HydrophobicContact CG-CE2 4.16Å; Q381-F433 HydrophobicContact CG-CG 4.47Å; Q381-F433 HydrophobicContact CG-CZ 3.66Å; Q381-F433 VanDerWaalsContact NE2-CE1 3.3Å; Q381-F433 PolarHBondContact O-N 3.06Å; F433-R449 HydrophobicContact CB-CG 4.48Å; F433-R449 HydrophobicContact CD2-CG 4.11Å; F433-Y479 HydrophobicContact CB-CD2 4.13Å; F433-Y479 HydrophobicContact CG-CD2 4.43Å; F433-Y479 WeakPolarHBondContact O-CA 3.44Å; F433-G480 PolarHBondContact O-N 3.05Å; F433-L527 HydrophobicContact CD1-CD2 3.72Å; F433-L527 HydrophobicContact CE1-CD2 3.98Å
434	F	97.8	Very high	97.9	Very high	9 Å²	9	30.1 Å²	30.1	4%	0.039	16%	0.163	C	C	.	.			trans	-108.2	163.4	-179.1	71.8	-81.7	0	0	0	109.9	V394 R431 T432 L436 A445 V446 G447	V394-F434 HydrophobicContact CB-CE2 4.45Å; V394-F434 HydrophobicContact CB-CZ 3.94Å; V394-F434 HydrophobicContact CG1-CE2 4.08Å; V394-F434 HydrophobicContact CG1-CZ 3.72Å; V394-F434 WeakPolarHBondContact O-CE1 3.25Å; V394-F434 WeakPolarHBondContact O-CZ 3.39Å; R431-F434 HydrophobicContact CB-CB 4.39Å; R431-F434 HydrophobicContact CB-CD1 3.66Å; R431-F434 HydrophobicContact CB-CE1 4.06Å; R431-F434 HydrophobicContact CB-CG 4.02Å; T432-F434 PolarHBondContact O-N 3.3Å; F434-L436 HydrophobicContact CE2-CB 3.95Å; F434-L436 HydrophobicContact CE2-CD1 4.15Å; F434-A445 HydrophobicContact CD2-CB 3.96Å; F434-A445 HydrophobicContact CE2-CB 3.79Å; F434-V446 WeakPolarHBondContact CB-O 3.44Å; F434-G447 WeakPolarHBondContact CB-O 3.32Å
435	H	97.8	Very high	97.9	Very high	21 Å²	21	29.8 Å²	29.8	10%	0.097	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	137.5	171.6	177.9	65.5	0	0	0	111.4	S437 A445 V446 H481 G483 I492	H435-S437 PolarHBondContact CE1-OG 2.75Å; H435-S437 WeakPolarHBondContact NE2-CB 3.12Å; H435-S437 PolarHBondContact NE2-OG 3.37Å; H435-A445 WeakPolarHBondContact O-CA 3.44Å; H435-V446 HydrophobicContact CB-CB 4.39Å; H435-V446 PolarHBondContact N-O 2.89Å; H435-V446 PolarHBondContact O-N 2.83Å; H435-H481 VanDerWaalsContact CB-CD2 3.5Å; H435-H481 WeakPolarHBondContact CB-CD2 3.32Å; H435-H481 WeakPolarHBondContact CB-NE2 3.38Å; H435-H481 PolarHBondContact N-NE2 3.22Å; H435-G483 WeakPolarHBondContact CE1-CA 3.37Å; H435-G483 PolarHBondContact CE1-O 3.18Å; H435-G483 PolarHBondContact ND1-N 3.03Å; H435-I492 HydrophobicContact CB-CD1 4.04Å; H435-I492 WeakPolarHBondContact CD2-CD1 3.49Å
436	L	98.6	Very high	97.9	Very high	11 Å²	11	28.7 Å²	28.7	6%	0.058	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	130.8	171.2	-171.7	76.3	0	0	0	109.4	A385 V394 F434 L443 Y444 A445 W468	A385-L436 HydrophobicContact CB-CD2 3.73Å; A385-L436 HydrophobicContact CB-CG 3.96Å; V394-L436 HydrophobicContact CB-CD1 4.21Å; V394-L436 HydrophobicContact CB-CD2 3.83Å; V394-L436 HydrophobicContact CG1-CD1 4.34Å; V394-L436 HydrophobicContact CG2-CD1 3.92Å; V394-L436 HydrophobicContact CG2-CD2 3.43Å; V394-L436 VanDerWaalsContact CG2-CD2 3.43Å; V394-L436 HydrophobicContact CG2-CG 4.37Å; F434-L436 HydrophobicContact CE2-CB 3.95Å; F434-L436 HydrophobicContact CE2-CD1 4.15Å; L436-L443 HydrophobicContact CD1-CB 4.19Å; L436-Y444 WeakPolarHBondContact CA-O 3.28Å; L436-A445 HydrophobicContact CD1-CB 4.09Å; L436-W468 HydrophobicContact CD1-CH2 4.19Å
437	S	97.8	Very high	97.9	Very high	14 Å²	14	26.5 Å²	26.5	10%	0.098	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	147.1	172.1	-91.9	0	0	0	0	112	H435 L443 Y444	H435-S437 PolarHBondContact CE1-OG 2.75Å; H435-S437 WeakPolarHBondContact NE2-CB 3.12Å; H435-S437 PolarHBondContact NE2-OG 3.37Å; S437-L443 WeakPolarHBondContact O-CA 3.39Å; S437-Y444 PolarHBondContact N-O 3Å; S437-Y444 VanDerWaalsContact N-O 3.16Å; S437-Y444 PolarHBondContact O-N 2.82Å
438	A	98.4	Very high	97.8	Very high	32 Å²	32	26.1 Å²	26.1	26%	0.264	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	123.7	164.5	0	0	0	0	0	109.5	A385 V386 I387 H442 L443	A385-A438 HydrophobicContact CB-CB 4.25Å; V386-A438 WeakPolarHBondContact O-CB 3.25Å; I387-A438 HydrophobicContact CD1-CB 4.44Å; I387-A438 HydrophobicContact CG1-CB 3.7Å; A438-H442 CarbonylContact C-O 3.57Å; A438-H442 VanDerWaalsContact CA-O 3.32Å; A438-H442 WeakPolarHBondContact CA-O 2.93Å; A438-L443 HydrophobicContact CB-CD2 4.14Å
439	L	98.4	Very high	97.7	Very high	4 Å²	4	23.7 Å²	23.7	2%	0.021	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	125.7	-179.6	173.8	62.3	0	0	0	109.8	G441 H442 Y444 V485 G488 M490 P510	L439-G441 PolarHBondContact O-N 3.36Å; L439-G441 VanDerWaalsContact O-N 3.15Å; L439-H442 PolarHBondContact N-O 2.82Å; L439-H442 PolarHBondContact O-N 2.96Å; L439-Y444 HydrophobicContact CB-CD2 3.8Å; L439-Y444 HydrophobicContact CB-CE2 3.76Å; L439-Y444 HydrophobicContact CD2-CD2 4.39Å; L439-Y444 HydrophobicContact CD2-CE2 4.14Å; L439-Y444 HydrophobicContact CG-CE2 4.15Å; L439-V485 HydrophobicContact CB-CG2 4.11Å; L439-V485 HydrophobicContact CD1-CG1 3.54Å; L439-V485 HydrophobicContact CD1-CG2 4.34Å; L439-G488 WeakPolarHBondContact CD1-O 3.22Å; L439-M490 HydrophobicContact CD2-CB 4.03Å; L439-P510 HydrophobicContact CD2-CB 4.17Å; L439-P510 HydrophobicContact CD2-CG 3.65Å; L439-P510 HydrophobicContact CG-CG 4.18Å
440	K	96.8	Very high	97.7	Very high	100 Å²	100	22.3 Å²	22.3	44%	0.435	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.6	42.9	-179.8	-59.7	-175.8	-174.2	173.5	0	113.3	H442 G488 P510 D511	K440-H442 VanDerWaalsContact C-N 3.28Å; K440-H442 PolarHBondContact O-N 3.05Å; K440-H442 PolarHBondContact O-ND1 3Å; K440-G488 WeakPolarHBondContact CE-O 3.33Å; K440-P510 HydrophobicContact CD-CG 4.03Å; K440-D511 IonicContact NZ-OD1 2.73Å; K440-D511 PolarHBondContact NZ-OD1 2.93Å; K440-D511 IonicContact NZ-OD2 3.32Å; K440-D511 PolarHBondContact NZ-OD2 3.45Å
441	G	97.1	Very high	97.6	Very high	27 Å²	27	21 Å²	21	28%	0.278	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	75	9.5	178.7	0	0	0	0	0	115.7	V327 L439 P463	V327-G441 WeakPolarHBondContact CG1-O 3.39Å; L439-G441 PolarHBondContact O-N 3.36Å; L439-G441 VanDerWaalsContact O-N 3.15Å; G441-P463 WeakPolarHBondContact O-CD 3.42Å; G441-P463 WeakPolarHBondContact O-CG 3.34Å
442	H	98.6	Very high	97.4	Very high	50 Å²	50	25.9 Å²	25.9	23%	0.231	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	163.1	176.7	-62.9	77.2	0	0	0	110.1	A438 L439 K440 Y444 Y461	A438-H442 CarbonylContact C-O 3.57Å; A438-H442 VanDerWaalsContact CA-O 3.32Å; A438-H442 WeakPolarHBondContact CA-O 2.93Å; L439-H442 PolarHBondContact N-O 2.82Å; L439-H442 PolarHBondContact O-N 2.96Å; K440-H442 VanDerWaalsContact C-N 3.28Å; K440-H442 PolarHBondContact O-N 3.05Å; K440-H442 PolarHBondContact O-ND1 3Å; H442-Y444 HydrophobicContact CB-CE2 3.8Å; H442-Y461 WeakPolarHBondContact CA-O 3.46Å; H442-Y461 WeakPolarHBondContact CB-O 3.47Å; H442-Y461 PolarHBondContact CD2-O 3.32Å
443	L	98.9	Very high	97.3	Very high	0 Å²	0	27 Å²	27	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	139.5	170.1	-54.9	171.5	0	0	0	110	A385 I387 Y392 V394 L436 S437 A438 C460 Y461 W468	A385-L443 HydrophobicContact CB-CD2 3.57Å; I387-L443 HydrophobicContact CD1-CD2 3.41Å; I387-L443 VanDerWaalsContact CD1-CD2 3.41Å; I387-L443 HydrophobicContact CD1-CG 3.65Å; I387-L443 HydrophobicContact CG1-CD2 3.81Å; Y392-L443 HydrophobicContact CD1-CD1 3.51Å; Y392-L443 HydrophobicContact CD2-CD1 4.13Å; Y392-L443 HydrophobicContact CD2-CD2 4.49Å; Y392-L443 HydrophobicContact CE1-CD1 3.98Å; Y392-L443 HydrophobicContact CG-CD1 3.56Å; V394-L443 HydrophobicContact CG2-CD1 4.46Å; L436-L443 HydrophobicContact CD1-CB 4.19Å; S437-L443 WeakPolarHBondContact O-CA 3.39Å; A438-L443 HydrophobicContact CB-CD2 4.14Å; L443-C460 CarbonylContact O-C 3.45Å; L443-C460 VanDerWaalsContact O-CA 3.24Å; L443-C460 WeakPolarHBondContact O-CA 3.42Å; L443-Y461 HydrophobicContact CD1-CD1 3.84Å; L443-Y461 HydrophobicContact CD1-CG 4.39Å; L443-Y461 HydrophobicContact CG-CD1 4.16Å; L443-Y461 PolarHBondContact N-O 3.35Å; L443-Y461 PolarHBondContact O-N 2.8Å; L443-W468 HydrophobicContact CB-CH2 4.01Å; L443-W468 HydrophobicContact CB-CZ3 4.46Å
444	Y	98.8	Very high	97.3	Very high	17 Å²	17	28.4 Å²	28.4	7%	0.067	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	117.4	175.8	-68.4	-98	0	0	0	109.8	L436 S437 L439 H442 E459 C460 V471 M490 F508 P510	L436-Y444 WeakPolarHBondContact CA-O 3.28Å; S437-Y444 PolarHBondContact N-O 3Å; S437-Y444 VanDerWaalsContact N-O 3.16Å; S437-Y444 PolarHBondContact O-N 2.82Å; L439-Y444 HydrophobicContact CB-CD2 3.8Å; L439-Y444 HydrophobicContact CB-CE2 3.76Å; L439-Y444 HydrophobicContact CD2-CD2 4.39Å; L439-Y444 HydrophobicContact CD2-CE2 4.14Å; L439-Y444 HydrophobicContact CG-CE2 4.15Å; H442-Y444 HydrophobicContact CB-CE2 3.8Å; Y444-E459 CarbonylContact C-O 3.5Å; Y444-E459 VanDerWaalsContact CA-O 3.3Å; Y444-E459 WeakPolarHBondContact CA-O 3.32Å; Y444-C460 HydrophobicContact CD1-CB 4.04Å; Y444-C460 HydrophobicContact CE1-CB 3.76Å; Y444-V471 HydrophobicContact CD1-CG2 4.33Å; Y444-V471 HydrophobicContact CE1-CG2 4.4Å; Y444-M490 HydrophobicContact CD1-CE 4.49Å; Y444-M490 HydrophobicContact CG-CE 4.33Å; Y444-F508 AromaticContact CD1-CE1 3.95Å; Y444-F508 HydrophobicContact CD1-CE1 3.95Å; Y444-F508 AromaticContact CE1-CE1 3.63Å; Y444-F508 HydrophobicContact CE1-CE1 3.63Å; Y444-F508 HydrophobicContact CE1-CZ 4.33Å; Y444-P510 HydrophobicContact CE1-CB 4.5Å; Y444-P510 WeakPolarHBondContact OH-CB 3.29Å
445	A	98.8	Very high	97.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	113.6	174	0	0	0	0	0	109.1	L427 F434 H435 L436 V458 E459 W468	L427-A445 HydrophobicContact CD2-CB 3.95Å; F434-A445 HydrophobicContact CD2-CB 3.96Å; F434-A445 HydrophobicContact CE2-CB 3.79Å; H435-A445 WeakPolarHBondContact O-CA 3.44Å; L436-A445 HydrophobicContact CD1-CB 4.09Å; A445-V458 WeakPolarHBondContact O-CA 3.3Å; A445-E459 PolarHBondContact N-O 3.32Å; A445-E459 PolarHBondContact O-N 2.85Å; A445-W468 HydrophobicContact CB-CH2 4.17Å; A445-W468 HydrophobicContact CB-CZ3 3.86Å
446	V	98.6	Very high	97.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	119.1	-170.1	-177.8	0	0	0	0	110.5	F434 H435 V458 M474 H481 M490 I492 W515	F434-V446 WeakPolarHBondContact CB-O 3.44Å; H435-V446 HydrophobicContact CB-CB 4.39Å; H435-V446 PolarHBondContact N-O 2.89Å; H435-V446 PolarHBondContact O-N 2.83Å; V446-V458 HydrophobicContact CG1-CG2 4.11Å; V446-V458 HydrophobicContact CG2-CG1 3.93Å; V446-V458 HydrophobicContact CG2-CG2 4.5Å; V446-M474 HydrophobicContact CG1-CE 4.02Å; V446-M474 HydrophobicContact CG1-CG 4.2Å; V446-M474 HydrophobicContact CG1-SD 3.55Å; V446-M474 VanDerWaalsContact CG1-SD 3.55Å; V446-H481 PolarHBondContact O-CE1 3.44Å; V446-H481 PolarHBondContact O-NE2 3.28Å; V446-M490 HydrophobicContact CG2-CE 3.42Å; V446-M490 VanDerWaalsContact CG2-CE 3.42Å; V446-M490 HydrophobicContact CG2-SD 3.76Å; V446-I492 HydrophobicContact CB-CD1 4.36Å; V446-I492 HydrophobicContact CG1-CD1 4.24Å; V446-I492 HydrophobicContact CG1-CG1 4.2Å; V446-I492 HydrophobicContact CG2-CD1 4.26Å; V446-W515 HydrophobicContact CG1-CH2 4.05Å; V446-W515 HydrophobicContact CG1-CZ2 4.26Å; V446-W515 HydrophobicContact CG2-CH2 4.48Å
447	G	97.9	Very high	97.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	20%	0.195	C	C	.	.			trans	59.9	-135.6	172	0	0	0	0	0	114.2	R431 F434 L455 T457	R431-G447 PolarHBondContact NH1-O 3.36Å; F434-G447 WeakPolarHBondContact CB-O 3.32Å; G447-L455 WeakPolarHBondContact CA-O 3.26Å; G447-T457 PolarHBondContact N-O 3.11Å
448	G	97.2	Very high	97.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	19%	0.191	C	C	.	.			trans	97.5	-156.9	-175.4	0	0	0	0	0	112.7	T432 L455 H478	T432-G448 CarbonylContact O-C 3.6Å; T432-G448 VanDerWaalsContact O-CA 3.29Å; T432-G448 WeakPolarHBondContact O-CA 3.18Å; G448-L455 PolarHBondContact O-N 2.81Å; G448-H478 PolarHBondContact N-O 2.88Å
449	R	95.9	Very high	97.3	Very high	36 Å²	36	27.8 Å²	27.8	14%	0.136	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	159.7	175.6	63.3	-174.1	-64.6	154.6	5.4	111.7	K403 T432 F433 G453 Y479	K403-R449 VanDerWaalsContact C-NE 3.27Å; K403-R449 PolarHBondContact O-NE 2.89Å; K403-R449 PolarHBondContact O-NH2 3.35Å; T432-R449 HydrophobicContact CG2-CG 3.87Å; T432-R449 WeakPolarHBondContact CG2-O 3.34Å; T432-R449 PolarHBondContact N-O 3.46Å; T432-R449 PolarHBondContact O-N 3.46Å; F433-R449 HydrophobicContact CB-CG 4.48Å; F433-R449 HydrophobicContact CD2-CG 4.11Å; R449-G453 CarbonylContact C-O 3.56Å; R449-G453 WeakPolarHBondContact CA-O 3.23Å; R449-G453 WeakPolarHBondContact CB-O 3.49Å; R449-Y479 HydrophobicContact CB-CG 4.47Å; R449-Y479 HydrophobicContact CG-CG 4.31Å; R449-Y479 PolarHBondContact NH1-OH 2.84Å
450	N	96.4	Very high	97.3	Very high	22 Å²	22	28 Å²	28	12%	0.118	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	-164.6	172.5	65.9	25.1	0	0	0	111	G404 A407 K430 A452 G453 L455	G404-N450 CarbonylContact O-C 3.59Å; G404-N450 VanDerWaalsContact O-CA 3.25Å; G404-N450 WeakPolarHBondContact O-CA 3.38Å; A407-N450 HydrophobicContact CB-CB 3.93Å; K430-N450 HydrophobicContact CB-CB 4.49Å; K430-N450 WeakPolarHBondContact O-CB 3.33Å; K430-N450 PolarHBondContact O-ND2 3.08Å; N450-A452 PolarHBondContact O-N 2.86Å; N450-A452 WeakPolarHBondContact OD1-CA 3.5Å; N450-A452 WeakPolarHBondContact OD1-CB 3.46Å; N450-A452 PolarHBondContact OD1-N 3.32Å; N450-G453 PolarHBondContact N-O 3.34Å; N450-G453 PolarHBondContact O-N 3Å; N450-G453 VanDerWaalsContact O-N 3.15Å; N450-G453 PolarHBondContact OD1-N 3.39Å; N450-L455 HydrophobicContact CB-CD1 4.5Å
451	A	95	Very high	97.4	Very high	81 Å²	81	23.3 Å²	23.3	67%	0.669	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-24.1	-179.3	0	0	0	0	0	114.1	G404	G404-A451 PolarHBondContact O-N 3.37Å; G404-A451 VanDerWaalsContact O-N 3.13Å
452	A	94.4	Very high	97.5	Very high	101 Å²	101	23.4 Å²	23.4	84%	0.835	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-19.2	178.1	0	0	0	0	0	113.2	N450	N450-A452 PolarHBondContact O-N 2.86Å; N450-A452 WeakPolarHBondContact OD1-CA 3.5Å; N450-A452 WeakPolarHBondContact OD1-CB 3.46Å; N450-A452 PolarHBondContact OD1-N 3.32Å
453	G	94.3	Very high	97.4	Very high	25 Å²	25	21.1 Å²	21.1	26%	0.258	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	135.7	-156.1	179.1	0	0	0	0	0	113.4	R449 N450	R449-G453 CarbonylContact C-O 3.56Å; R449-G453 WeakPolarHBondContact CA-O 3.23Å; R449-G453 WeakPolarHBondContact CB-O 3.49Å; N450-G453 PolarHBondContact N-O 3.34Å; N450-G453 PolarHBondContact O-N 3Å; N450-G453 VanDerWaalsContact O-N 3.15Å; N450-G453 PolarHBondContact OD1-N 3.39Å
454	E	95.8	Very high	97.3	Very high	46 Å²	46	28.3 Å²	28.3	22%	0.215	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	145.6	177.4	-52.7	172.7	156.2	0	0	110.2	P477 Y479 H498	E454-P477 HydrophobicContact CB-CB 3.66Å; E454-P477 HydrophobicContact CB-CG 4.1Å; E454-Y479 HydrophobicContact CG-CD1 3.94Å; E454-Y479 HydrophobicContact CG-CE1 4.21Å; E454-Y479 WeakPolarHBondContact OE1-CE1 3.39Å; E454-H498 PolarHBondContact OE1-N 3.41Å; E454-H498 IonicContact OE2-CE1 3.87Å; E454-H498 PolarHBondContact OE2-N 3.28Å; E454-H498 VanDerWaalsContact OE2-N 3.16Å; E454-H498 IonicContact OE2-ND1 3.92Å; E454-H498 PolarHBondContact OE2-ND1 2.7Å; E454-H498 VanDerWaalsContact OE2-ND1 3.13Å
455	L	97.1	Very high	97.2	Very high	19 Å²	19	32.8 Å²	32.8	10%	0.099	19%	0.193	C	C	.	.			trans	-117.3	135.7	-174	-59.1	170.5	0	0	0	111.2	R431 G447 G448 N450 P477 H478	R431-L455 HydrophobicContact CG-CD1 3.62Å; G447-L455 WeakPolarHBondContact CA-O 3.26Å; G448-L455 PolarHBondContact O-N 2.81Å; N450-L455 HydrophobicContact CB-CD1 4.5Å; L455-P477 WeakPolarHBondContact O-CA 3.35Å; L455-H478 PolarHBondContact O-N 3.26Å
456	A	97.4	Very high	97.1	Very high	20 Å²	20	34.3 Å²	34.3	17%	0.165	20%	0.201	C	C	.	.			trans	-102.2	-14.2	170.4	0	0	0	0	0	112.5	K473 M474 P477	A456-K473 WeakPolarHBondContact O-CA 3.43Å; A456-K473 WeakPolarHBondContact O-CB 3.34Å; A456-M474 HydrophobicContact CB-CB 4.43Å; A456-M474 PolarHBondContact O-N 2.77Å; A456-P477 HydrophobicContact CB-CB 4.18Å
457	T	98.4	Very high	97.1	Very high	34 Å²	34	39.5 Å²	39.5	21%	0.209	23%	0.226	C	C	.	.			trans	-64.4	147.1	-176.1	43.6	0	0	0	0	111.3	E429 R431 G447 Y470	E429-T457 PolarHBondContact OE2-OG1 2.81Å; R431-T457 PolarHBondContact NH1-O 2.84Å; R431-T457 PolarHBondContact NH1-OG1 3.39Å; R431-T457 VanDerWaalsContact NH1-OG1 3.12Å; R431-T457 VanDerWaalsContact NH2-CB 3.31Å; R431-T457 PolarHBondContact NH2-OG1 2.85Å; G447-T457 PolarHBondContact N-O 3.11Å; T457-Y470 HydrophobicContact CG2-CD1 4.44Å; T457-Y470 HydrophobicContact CG2-CE1 4.15Å
458	V	98.6	Very high	97.2	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	132.2	176.8	-175.1	0	0	0	0	108.1	A445 V446 Y470 V471 A472 M474 W515	A445-V458 WeakPolarHBondContact O-CA 3.3Å; V446-V458 HydrophobicContact CG1-CG2 4.11Å; V446-V458 HydrophobicContact CG2-CG1 3.93Å; V446-V458 HydrophobicContact CG2-CG2 4.5Å; V458-Y470 WeakPolarHBondContact O-CA 3.35Å; V458-V471 HydrophobicContact CB-CG2 3.71Å; V458-V471 HydrophobicContact CG1-CG2 3.44Å; V458-V471 VanDerWaalsContact CG1-CG2 3.44Å; V458-V471 PolarHBondContact O-N 2.86Å; V458-A472 WeakPolarHBondContact CG2-O 3.3Å; V458-M474 HydrophobicContact CG2-CG 4.41Å; V458-W515 HydrophobicContact CG2-CZ2 3.97Å
459	E	98.7	Very high	97.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	139.4	-179.9	-63.1	179.4	-117.4	0	0	110.7	L427 N428 E429 R431 Y444 A445 W468 S469 Y470	L427-E459 HydrophobicContact CD2-CB 4.48Å; N428-E459 VanDerWaalsContact CB-OE2 3.24Å; N428-E459 WeakPolarHBondContact CB-OE2 3.32Å; N428-E459 PolarHBondContact N-OE2 2.86Å; N428-E459 PolarHBondContact ND2-OE2 3.2Å; E429-E459 PolarHBondContact N-OE1 3.34Å; R431-E459 IonicContact CZ-OE1 3.27Å; R431-E459 VanDerWaalsContact CZ-OE1 3.25Å; R431-E459 IonicContact NE-OE1 3.97Å; R431-E459 PolarHBondContact NE-OE1 3.5Å; R431-E459 IonicContact NH2-OE1 3.73Å; R431-E459 PolarHBondContact NH2-OE1 2.95Å; Y444-E459 CarbonylContact C-O 3.5Å; Y444-E459 VanDerWaalsContact CA-O 3.3Å; Y444-E459 WeakPolarHBondContact CA-O 3.32Å; A445-E459 PolarHBondContact N-O 3.32Å; A445-E459 PolarHBondContact O-N 2.85Å; E459-W468 HydrophobicContact CB-CE3 3.66Å; E459-W468 HydrophobicContact CB-CZ3 4.18Å; E459-S469 CarbonylContact C-O 3.5Å; E459-S469 VanDerWaalsContact CA-O 3.32Å; E459-S469 WeakPolarHBondContact CA-O 2.99Å; E459-Y470 HydrophobicContact CG-CD1 3.79Å; E459-Y470 HydrophobicContact CG-CE1 3.82Å
460	C	98.8	Very high	97.4	Very high	10 Å²	10	46.7 Å²	46.7	7%	0.068	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	119.4	177.5	175.4	0	0	0	0	110.4	L443 Y444 W468 S469 V471	L443-C460 CarbonylContact O-C 3.45Å; L443-C460 VanDerWaalsContact O-CA 3.24Å; L443-C460 WeakPolarHBondContact O-CA 3.42Å; Y444-C460 HydrophobicContact CD1-CB 4.04Å; Y444-C460 HydrophobicContact CE1-CB 3.76Å; C460-W468 WeakPolarHBondContact O-CA 3.4Å; C460-S469 PolarHBondContact N-O 2.98Å; C460-S469 PolarHBondContact O-N 2.85Å; C460-S469 PolarHBondContact O-OG 2.81Å; C460-V471 HydrophobicContact CB-CG1 3.65Å
461	Y	98.8	Very high	97.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	127.5	172.3	-179.2	-113.4	0	0	0	110.8	Y392 A425 H442 L443 P463 N466 E467 W468	Y392-Y461 HydrophobicContact CE1-CD1 4.45Å; Y392-Y461 AromaticContact CE1-CE1 3.89Å; Y392-Y461 HydrophobicContact CE1-CE1 3.89Å; A425-Y461 HydrophobicContact CB-CE2 4.35Å; H442-Y461 WeakPolarHBondContact CA-O 3.46Å; H442-Y461 WeakPolarHBondContact CB-O 3.47Å; H442-Y461 PolarHBondContact CD2-O 3.32Å; L443-Y461 HydrophobicContact CD1-CD1 3.84Å; L443-Y461 HydrophobicContact CD1-CG 4.39Å; L443-Y461 HydrophobicContact CG-CD1 4.16Å; L443-Y461 PolarHBondContact N-O 3.35Å; L443-Y461 PolarHBondContact O-N 2.8Å; Y461-P463 HydrophobicContact CD1-CG 3.99Å; Y461-P463 HydrophobicContact CE1-CB 4.06Å; Y461-P463 HydrophobicContact CE1-CG 3.81Å; Y461-P463 WeakPolarHBondContact O-CD 3.47Å; Y461-N466 PolarHBondContact OH-OD1 2.92Å; Y461-E467 WeakPolarHBondContact CA-O 3.42Å; Y461-E467 WeakPolarHBondContact CD2-O 3.47Å; Y461-W468 AromaticContact CD2-CD1 3.74Å; Y461-W468 HydrophobicContact CD2-CD2 4.08Å; Y461-W468 AromaticContact CD2-CE2 3.73Å; Y461-W468 HydrophobicContact CD2-CG 4.11Å; Y461-W468 HydrophobicContact CD2-CZ2 4.3Å; Y461-W468 AromaticContact CD2-NE1 3.47Å; Y461-W468 HydrophobicContact CG-CD2 4.28Å; Y461-W468 AromaticContact CG-CE2 3.92Å; Y461-W468 HydrophobicContact CG-CZ2 4.09Å; Y461-W468 VanDerWaalsContact N-CE3 3.3Å
462	N	98.1	Very high	97.6	Very high	30 Å²	30	44.6 Å²	44.6	16%	0.16	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	108.8	171.8	-173.5	-20	0	0	0	110.6	R464 M465 N466 E467	N462-R464 PolarHBondContact O-N 3.07Å; N462-R464 VanDerWaalsContact O-N 3.08Å; N462-R464 WeakPolarHBondContact OD1-CA 3.29Å; N462-R464 VanDerWaalsContact OD1-CB 3.22Å; N462-R464 WeakPolarHBondContact OD1-CB 3.44Å; N462-R464 PolarHBondContact OD1-N 2.93Å; N462-M465 HydrophobicContact CB-CE 4.31Å; N462-M465 PolarHBondContact O-N 2.91Å; N462-M465 VanDerWaalsContact O-N 3.16Å; N462-N466 PolarHBondContact O-N 3.39Å; N462-E467 PolarHBondContact N-O 3.13Å
463	P	97.8	Very high	97.8	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.006	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-20.9	177.6	-23.6	33.3	0	0	0	114.5	Y323 V327 I387 G441 Y461	Y323-P463 CarbonylContact C-O 3.53Å; Y323-P463 VanDerWaalsContact C-O 3.26Å; Y323-P463 WeakPolarHBondContact CB-O 3.35Å; Y323-P463 WeakPolarHBondContact O-CB 3.45Å; V327-P463 HydrophobicContact CG1-CB 4.39Å; V327-P463 HydrophobicContact CG1-CG 4.16Å; I387-P463 HydrophobicContact CD1-CG 4.34Å; G441-P463 WeakPolarHBondContact O-CD 3.42Å; G441-P463 WeakPolarHBondContact O-CG 3.34Å; Y461-P463 HydrophobicContact CD1-CG 3.99Å; Y461-P463 HydrophobicContact CE1-CB 4.06Å; Y461-P463 HydrophobicContact CE1-CG 3.81Å; Y461-P463 WeakPolarHBondContact O-CD 3.47Å
464	R	95.9	Very high	97.9	Very high	152 Å²	152	45.7 Å²	45.7	57%	0.574	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-37.6	177.7	-57	-177.1	-180	-92.7	-3.3	113.2	M324 V327 N462	M324-R464 HydrophobicContact CE-CG 4.09Å; M324-R464 VanDerWaalsContact CE-NH1 3.28Å; M324-R464 HydrophobicContact CG-CB 4.2Å; M324-R464 HydrophobicContact CG-CG 4.19Å; M324-R464 HydrophobicContact SD-CB 4.2Å; M324-R464 HydrophobicContact SD-CG 4.28Å; V327-R464 HydrophobicContact CG2-CG 4.43Å; N462-R464 PolarHBondContact O-N 3.07Å; N462-R464 VanDerWaalsContact O-N 3.08Å; N462-R464 WeakPolarHBondContact OD1-CA 3.29Å; N462-R464 VanDerWaalsContact OD1-CB 3.22Å; N462-R464 WeakPolarHBondContact OD1-CB 3.44Å; N462-R464 PolarHBondContact OD1-N 2.93Å
465	M	96.7	Very high	97.7	Very high	110 Å²	110	49.8 Å²	49.8	54%	0.542	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-15.1	-179.4	-55.5	-168.8	-49.5	0	0	111.6	N462 E467	N462-M465 HydrophobicContact CB-CE 4.31Å; N462-M465 PolarHBondContact O-N 2.91Å; N462-M465 VanDerWaalsContact O-N 3.16Å; M465-E467 VanDerWaalsContact C-N 3.31Å; M465-E467 HydrophobicContact CB-CB 4.15Å; M465-E467 HydrophobicContact CB-CG 4.25Å
466	N	98.2	Very high	97.5	Very high	32 Å²	32	53.6 Å²	53.6	17%	0.171	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	51.4	-169	-179.3	46.1	0	0	0	110.3	Y323 V424 A425 Y461 N462	Y323-N466 HydrophobicContact CD1-CB 4.18Å; Y323-N466 HydrophobicContact CD2-CB 3.88Å; Y323-N466 HydrophobicContact CE2-CB 4.37Å; Y323-N466 HydrophobicContact CG-CB 3.78Å; V424-N466 WeakPolarHBondContact CB-OD1 3.41Å; A425-N466 WeakPolarHBondContact CB-O 3.47Å; A425-N466 PolarHBondContact N-OD1 2.89Å; Y461-N466 PolarHBondContact OH-OD1 2.92Å; N462-N466 PolarHBondContact O-N 3.39Å
467	E	98.4	Very high	97.3	Very high	110 Å²	110	53.7 Å²	53.7	51%	0.514	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	149.4	-174.9	-73.9	177.2	177.4	0	0	110.9	Y461 N462 M465	Y461-E467 WeakPolarHBondContact CA-O 3.42Å; Y461-E467 WeakPolarHBondContact CD2-O 3.47Å; N462-E467 PolarHBondContact N-O 3.13Å; M465-E467 VanDerWaalsContact C-N 3.31Å; M465-E467 HydrophobicContact CB-CB 4.15Å; M465-E467 HydrophobicContact CB-CG 4.25Å
468	W	98.8	Very high	97	Very high	18 Å²	18	53.5 Å²	53.5	7%	0.068	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	135.9	171.8	-70.5	89.9	0	0	0	110.1	V394 V411 A425 L427 N428 L436 L443 A445 E459 C460 Y461	V394-W468 HydrophobicContact CG1-CH2 4.09Å; V394-W468 HydrophobicContact CG1-CZ2 4.02Å; V394-W468 HydrophobicContact CG2-CH2 4.29Å; V394-W468 HydrophobicContact CG2-CZ2 4.11Å; V411-W468 HydrophobicContact CG2-CZ2 4Å; A425-W468 PolarHBondContact O-NE1 2.76Å; L427-W468 HydrophobicContact CD2-CD2 3.73Å; L427-W468 HydrophobicContact CD2-CE3 3.73Å; L427-W468 HydrophobicContact CD2-CG 4.45Å; L427-W468 HydrophobicContact CD2-CH2 3.77Å; L427-W468 HydrophobicContact CD2-CZ2 3.77Å; L427-W468 HydrophobicContact CD2-CZ3 3.75Å; L427-W468 HydrophobicContact CG-CZ2 4.46Å; N428-W468 VanDerWaalsContact ND2-CB 3.34Å; N428-W468 WeakPolarHBondContact ND2-CB 3.46Å; N428-W468 PolarHBondContact ND2-O 3.03Å; L436-W468 HydrophobicContact CD1-CH2 4.19Å; L443-W468 HydrophobicContact CB-CH2 4.01Å; L443-W468 HydrophobicContact CB-CZ3 4.46Å; A445-W468 HydrophobicContact CB-CH2 4.17Å; A445-W468 HydrophobicContact CB-CZ3 3.86Å; E459-W468 HydrophobicContact CB-CE3 3.66Å; E459-W468 HydrophobicContact CB-CZ3 4.18Å; C460-W468 WeakPolarHBondContact O-CA 3.4Å; Y461-W468 AromaticContact CD2-CD1 3.74Å; Y461-W468 HydrophobicContact CD2-CD2 4.08Å; Y461-W468 AromaticContact CD2-CE2 3.73Å; Y461-W468 HydrophobicContact CD2-CG 4.11Å; Y461-W468 HydrophobicContact CD2-CZ2 4.3Å; Y461-W468 AromaticContact CD2-NE1 3.47Å; Y461-W468 HydrophobicContact CG-CD2 4.28Å; Y461-W468 AromaticContact CG-CE2 3.92Å; Y461-W468 HydrophobicContact CG-CZ2 4.09Å; Y461-W468 VanDerWaalsContact N-CE3 3.3Å
469	S	98.5	Very high	96.9	Very high	58 Å²	58	54.6 Å²	54.6	41%	0.406	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	149.4	176.2	56.1	0	0	0	0	110.4	E459 C460	E459-S469 CarbonylContact C-O 3.5Å; E459-S469 VanDerWaalsContact CA-O 3.32Å; E459-S469 WeakPolarHBondContact CA-O 2.99Å; C460-S469 PolarHBondContact N-O 2.98Å; C460-S469 PolarHBondContact O-N 2.85Å; C460-S469 PolarHBondContact O-OG 2.81Å
470	Y	98.7	Very high	96.8	Very high	111 Å²	111	54.8 Å²	54.8	44%	0.435	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	140.8	174.4	-67.5	-81.6	0	0	0	111	N428 E429 T457 V458 E459	N428-Y470 HydrophobicContact CB-CE2 3.82Å; N428-Y470 WeakPolarHBondContact CB-OH 3.3Å; E429-Y470 VanDerWaalsContact CD-OH 3.3Å; E429-Y470 WeakPolarHBondContact CG-OH 3.32Å; E429-Y470 PolarHBondContact OE1-OH 2.88Å; T457-Y470 HydrophobicContact CG2-CD1 4.44Å; T457-Y470 HydrophobicContact CG2-CE1 4.15Å; V458-Y470 WeakPolarHBondContact O-CA 3.35Å; E459-Y470 HydrophobicContact CG-CD1 3.79Å; E459-Y470 HydrophobicContact CG-CE1 3.82Å
471	V	98.6	Very high	96.7	Very high	33 Å²	33	54.9 Å²	54.9	20%	0.2	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	-175.3	172	-59.6	0	0	0	0	109.3	Y444 V458 C460 K473 F508 D513	Y444-V471 HydrophobicContact CD1-CG2 4.33Å; Y444-V471 HydrophobicContact CE1-CG2 4.4Å; V458-V471 HydrophobicContact CB-CG2 3.71Å; V458-V471 HydrophobicContact CG1-CG2 3.44Å; V458-V471 VanDerWaalsContact CG1-CG2 3.44Å; V458-V471 PolarHBondContact O-N 2.86Å; C460-V471 HydrophobicContact CB-CG1 3.65Å; V471-K473 PolarHBondContact O-N 3.16Å; V471-K473 VanDerWaalsContact O-N 3.13Å; V471-F508 HydrophobicContact CB-CZ 4.34Å; V471-F508 HydrophobicContact CG2-CZ 4.04Å; V471-D513 WeakPolarHBondContact CB-OD1 3.37Å
472	A	98.4	Very high	96.7	Very high	26 Å²	26	55.1 Å²	55.1	22%	0.215	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-54.3	123.5	-178.9	0	0	0	0	0	112	V458 F508 D513 W515	V458-A472 WeakPolarHBondContact CG2-O 3.3Å; A472-F508 HydrophobicContact CB-CE2 4.2Å; A472-D513 WeakPolarHBondContact CB-O 3.48Å; A472-D513 VanDerWaalsContact CB-OD1 3.26Å; A472-D513 WeakPolarHBondContact CB-OD1 3.24Å; A472-D513 PolarHBondContact N-OD1 2.98Å; A472-D513 PolarHBondContact N-OD2 2.87Å; A472-W515 PolarHBondContact O-NE1 2.86Å
473	K	98.1	Very high	96.6	Very high	140 Å²	140	54 Å²	54	61%	0.609	26%	0.264	S	S	*	.	P	Polyproline II helix	trans	-71.5	160.4	177.5	64	172.9	-174.6	173.2	0	111.8	A456 V471 W515	A456-K473 WeakPolarHBondContact O-CA 3.43Å; A456-K473 WeakPolarHBondContact O-CB 3.34Å; V471-K473 PolarHBondContact O-N 3.16Å; V471-K473 VanDerWaalsContact O-N 3.13Å; K473-W515 VanDerWaalsContact O-CD1 3.31Å; K473-W515 PolarHBondContact O-NE1 2.76Å
474	M	96.1	Very high	96.7	Very high	9 Å²	9	54.8 Å²	54.8	4%	0.044	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-67.6	157.9	165.1	-62.2	-175.5	-63	0	0	110.5	V446 A456 V458 E476 H478 W515	V446-M474 HydrophobicContact CG1-CE 4.02Å; V446-M474 HydrophobicContact CG1-CG 4.2Å; V446-M474 HydrophobicContact CG1-SD 3.55Å; V446-M474 VanDerWaalsContact CG1-SD 3.55Å; A456-M474 HydrophobicContact CB-CB 4.43Å; A456-M474 PolarHBondContact O-N 2.77Å; V458-M474 HydrophobicContact CG2-CG 4.41Å; M474-E476 WeakPolarHBondContact CB-O 3.49Å; M474-H478 HydrophobicContact CE-CB 4.04Å; M474-W515 HydrophobicContact CG-CH2 4.45Å; M474-W515 HydrophobicContact CG-CZ2 4.11Å
475	N	92.1	Very high	96.8	Very high	132 Å²	132	49.4 Å²	49.4	71%	0.706	25%	0.252	S	S	*	.	S	Bend	trans	-66.6	-44.3	177.6	-71.4	-14.4	0	0	0	111.5
476	E	92	Very high	96.9	Very high	98 Å²	98	47.5 Å²	47.5	46%	0.458	24%	0.24	S	C	.	.	S	Bend	trans	-117.1	155.9	177.5	-65.7	-58.9	154.3	0	0	110.3	M474 H478 T497 H498	M474-E476 WeakPolarHBondContact CB-O 3.49Å; E476-H478 PolarHBondContact O-CD2 3.43Å; E476-T497 HydrophobicContact CB-CG2 4.19Å; E476-H498 IonicContact OE2-NE2 3.13Å
477	P	93.8	Very high	96.8	Very high	23 Å²	23	49.1 Å²	49.1	15%	0.149	26%	0.264	C	S	.	.			trans	-76.4	137.7	173.2	32.5	-34.2	0	0	0	110.7	E454 L455 A456 T497	E454-P477 HydrophobicContact CB-CB 3.66Å; E454-P477 HydrophobicContact CB-CG 4.1Å; L455-P477 WeakPolarHBondContact O-CA 3.35Å; A456-P477 HydrophobicContact CB-CB 4.18Å; P477-T497 WeakPolarHBondContact O-CB 3.41Å; P477-T497 VanDerWaalsContact O-CG2 3.31Å; P477-T497 WeakPolarHBondContact O-CG2 3.3Å; P477-T497 PolarHBondContact O-OG1 2.83Å
478	H	92.2	Very high	96.8	Very high	29 Å²	29	45.1 Å²	45.1	13%	0.134	25%	0.252	C	S	.	.			trans	-137.9	142.6	-178.9	-63.6	-98.7	0	0	0	110.9	G448 L455 M474 E476 H481 I496 T497	G448-H478 PolarHBondContact N-O 2.88Å; L455-H478 PolarHBondContact O-N 3.26Å; M474-H478 HydrophobicContact CE-CB 4.04Å; E476-H478 PolarHBondContact O-CD2 3.43Å; H478-H481 PolarHBondContact O-CE1 3.17Å; H478-H481 PolarHBondContact O-ND1 3.31Å; H478-I496 WeakPolarHBondContact CA-O 3.41Å; H478-T497 PolarHBondContact CE1-OG1 3.02Å; H478-T497 VanDerWaalsContact CG-OG1 3.31Å; H478-T497 PolarHBondContact ND1-OG1 2.81Å
479	Y	96.5	Very high	96.8	Very high	24 Å²	24	46.4 Å²	46.4	9%	0.094	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-131.2	161	165.6	74.4	-84.4	0	0	0	111	F433 R449 E454 H481 I496	F433-Y479 HydrophobicContact CB-CD2 4.13Å; F433-Y479 HydrophobicContact CG-CD2 4.43Å; F433-Y479 WeakPolarHBondContact O-CA 3.44Å; R449-Y479 HydrophobicContact CB-CG 4.47Å; R449-Y479 HydrophobicContact CG-CG 4.31Å; R449-Y479 PolarHBondContact NH1-OH 2.84Å; E454-Y479 HydrophobicContact CG-CD1 3.94Å; E454-Y479 HydrophobicContact CG-CE1 4.21Å; E454-Y479 WeakPolarHBondContact OE1-CE1 3.39Å; Y479-H481 PolarHBondContact O-N 3.38Å; Y479-H481 VanDerWaalsContact O-N 3.16Å; Y479-I496 HydrophobicContact CD1-CB 4.23Å; Y479-I496 HydrophobicContact CE1-CB 3.75Å; Y479-I496 HydrophobicContact CE1-CG2 3.66Å; Y479-I496 HydrophobicContact CE2-CB 4.2Å; Y479-I496 HydrophobicContact CE2-CD1 3.74Å; Y479-I496 PolarHBondContact N-O 3.1Å; Y479-I496 VanDerWaalsContact N-O 3.08Å; Y479-I496 PolarHBondContact O-N 3.06Å
480	G	95.8	Very high	96.8	Very high	5 Å²	5	43.7 Å²	43.7	5%	0.052	24%	0.241	C	C	.	.	S	Bend	trans	65	17.4	-179.7	0	0	0	0	0	114	F433 L527	F433-G480 PolarHBondContact O-N 3.05Å; G480-L527 PolarHBondContact O-N 2.91Å
481	H	97.5	Very high	96.8	Very high	11 Å²	11	39 Å²	39	5%	0.051	22%	0.223	C	C	.	.			trans	-78.6	162.1	170.4	56.6	-92.3	0	0	0	110	H435 V446 H478 Y479 I492 S493 G494	H435-H481 VanDerWaalsContact CB-CD2 3.5Å; H435-H481 WeakPolarHBondContact CB-CD2 3.32Å; H435-H481 WeakPolarHBondContact CB-NE2 3.38Å; H435-H481 PolarHBondContact N-NE2 3.22Å; V446-H481 PolarHBondContact O-CE1 3.44Å; V446-H481 PolarHBondContact O-NE2 3.28Å; H478-H481 PolarHBondContact O-CE1 3.17Å; H478-H481 PolarHBondContact O-ND1 3.31Å; Y479-H481 PolarHBondContact O-N 3.38Å; Y479-H481 VanDerWaalsContact O-N 3.16Å; H481-I492 HydrophobicContact CB-CG2 3.98Å; H481-I492 WeakPolarHBondContact CD2-CG2 3.36Å; H481-S493 WeakPolarHBondContact CB-O 3.35Å; H481-G494 WeakPolarHBondContact CB-O 3.25Å
482	A	97.6	Very high	96.8	Very high	6 Å²	6	37.7 Å²	37.7	5%	0.05	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	157.2	174.4	0	0	0	0	0	110.5	I492 S493 H528 M530	A482-I492 CarbonylContact O-C 3.55Å; A482-I492 WeakPolarHBondContact O-CA 3.41Å; A482-S493 PolarHBondContact N-O 2.85Å; A482-S493 PolarHBondContact O-N 3.44Å; A482-S493 PolarHBondContact O-OG 3.4Å; A482-H528 VanDerWaalsContact CB-CD2 3.43Å; A482-H528 WeakPolarHBondContact CB-CD2 3.45Å; A482-H528 WeakPolarHBondContact CB-NE2 3.41Å; A482-H528 WeakPolarHBondContact CB-O 3.24Å; A482-M530 HydrophobicContact CB-CB 3.73Å
483	G	97.7	Very high	96.8	Very high	6 Å²	6	36.5 Å²	36.5	6%	0.062	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	171.3	179.7	0	0	0	0	0	113.2	H435 Y491	H435-G483 WeakPolarHBondContact CE1-CA 3.37Å; H435-G483 PolarHBondContact CE1-O 3.18Å; H435-G483 PolarHBondContact ND1-N 3.03Å; G483-Y491 CarbonylContact C-O 3.58Å; G483-Y491 WeakPolarHBondContact CA-O 3.17Å
484	T	98.6	Very high	96.7	Very high	18 Å²	18	30 Å²	30	11%	0.11	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	176.1	176.3	-170.4	0	0	0	0	109.7	Y491 M530 T532 L537	T484-Y491 PolarHBondContact N-O 3.02Å; T484-Y491 PolarHBondContact O-N 2.97Å; T484-M530 HydrophobicContact CG2-CE 3.81Å; T484-M530 HydrophobicContact CG2-CG 3.69Å; T484-M530 HydrophobicContact CG2-SD 3.95Å; T484-T532 VanDerWaalsContact CG2-OG1 3.25Å; T484-T532 WeakPolarHBondContact CG2-OG1 3.28Å; T484-T532 PolarHBondContact OG1-N 3.21Å; T484-T532 PolarHBondContact OG1-OG1 3.19Å; T484-L537 HydrophobicContact CG2-CB 3.99Å; T484-L537 HydrophobicContact CG2-CD2 3.28Å; T484-L537 HydrophobicContact CG2-CG 4.09Å
485	V	98.5	Very high	96.8	Very high	38 Å²	38	29.6 Å²	29.6	23%	0.23	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	132.9	-175.4	167.8	0	0	0	0	110.3	L439 L489 M490 T532	L439-V485 HydrophobicContact CB-CG2 4.11Å; L439-V485 HydrophobicContact CD1-CG1 3.54Å; L439-V485 HydrophobicContact CD1-CG2 4.34Å; V485-L489 WeakPolarHBondContact CA-O 3.36Å; V485-M490 HydrophobicContact CG2-CB 4.24Å; V485-M490 HydrophobicContact CG2-CG 4.49Å; V485-T532 PolarHBondContact O-OG1 2.91Å
486	Y	98.4	Very high	96.9	Very high	70 Å²	70	23.7 Å²	23.7	28%	0.275	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	140.7	173.2	177.6	-100.1	0	0	0	110.6	G488 L489 T532 G534 D535 P562	Y486-G488 PolarHBondContact O-N 3.13Å; Y486-G488 VanDerWaalsContact O-N 3.17Å; Y486-L489 PolarHBondContact N-O 3.11Å; Y486-L489 PolarHBondContact O-N 3.01Å; Y486-T532 HydrophobicContact CD2-CG2 3.86Å; Y486-T532 HydrophobicContact CG-CG2 4.42Å; Y486-G534 WeakPolarHBondContact CE2-O 3.5Å; Y486-D535 HydrophobicContact CE2-CB 4.16Å; Y486-D535 WeakPolarHBondContact OH-CB 3.23Å; Y486-P562 HydrophobicContact CD1-CB 4.12Å; Y486-P562 HydrophobicContact CD1-CG 3.62Å; Y486-P562 HydrophobicContact CE1-CB 4.1Å; Y486-P562 HydrophobicContact CE1-CG 3.85Å; Y486-P562 HydrophobicContact CG-CG 4.48Å
487	G	97.4	Very high	97	Very high	67 Å²	67	19.5 Å²	19.5	69%	0.691	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.7	26.9	175.2	0	0	0	0	0	114.7	L489	G487-L489 VanDerWaalsContact C-N 3.28Å; G487-L489 PolarHBondContact O-N 2.86Å
488	G	97.9	Very high	96.8	Very high	25 Å²	25	24 Å²	24	26%	0.258	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	12.9	-176.5	0	0	0	0	0	114.7	L439 K440 Y486	L439-G488 WeakPolarHBondContact CD1-O 3.22Å; K440-G488 WeakPolarHBondContact CE-O 3.33Å; Y486-G488 PolarHBondContact O-N 3.13Å; Y486-G488 VanDerWaalsContact O-N 3.17Å
489	L	98.6	Very high	96.6	Very high	46 Å²	46	28.6 Å²	28.6	24%	0.241	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	152.5	177.5	-56.7	174.8	0	0	0	110.1	V485 Y486 G487 Y491 D509	V485-L489 WeakPolarHBondContact CA-O 3.36Å; Y486-L489 PolarHBondContact N-O 3.11Å; Y486-L489 PolarHBondContact O-N 3.01Å; G487-L489 VanDerWaalsContact C-N 3.28Å; G487-L489 PolarHBondContact O-N 2.86Å; L489-Y491 HydrophobicContact CB-CE2 3.84Å; L489-D509 HydrophobicContact CD2-CB 3.6Å
490	M	98.8	Very high	96.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	135.3	173.8	175.8	172	60.3	0	0	110.1	L439 Y444 V446 V485 I492 C507 F508 W515	L439-M490 HydrophobicContact CD2-CB 4.03Å; Y444-M490 HydrophobicContact CD1-CE 4.49Å; Y444-M490 HydrophobicContact CG-CE 4.33Å; V446-M490 HydrophobicContact CG2-CE 3.42Å; V446-M490 VanDerWaalsContact CG2-CE 3.42Å; V446-M490 HydrophobicContact CG2-SD 3.76Å; V485-M490 HydrophobicContact CG2-CB 4.24Å; V485-M490 HydrophobicContact CG2-CG 4.49Å; M490-I492 HydrophobicContact CG-CD1 4.09Å; M490-I492 HydrophobicContact CG-CG1 4.48Å; M490-I492 HydrophobicContact SD-CD1 4.24Å; M490-C507 CarbonylContact O-C 3.25Å; M490-C507 VanDerWaalsContact O-CA 3.32Å; M490-C507 WeakPolarHBondContact O-CA 3.41Å; M490-F508 HydrophobicContact CB-CB 4.32Å; M490-F508 HydrophobicContact CE-CB 4.01Å; M490-F508 HydrophobicContact CE-CD1 3.72Å; M490-F508 HydrophobicContact CE-CG 4.11Å; M490-F508 PolarHBondContact N-O 2.9Å; M490-F508 PolarHBondContact O-N 3.33Å; M490-W515 HydrophobicContact CE-CH2 3.98Å; M490-W515 HydrophobicContact CE-CZ2 4.28Å
491	Y	98.8	Very high	96.4	Very high	12 Å²	12	31.8 Å²	31.8	5%	0.047	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	132.5	-179.9	-65.7	-96.5	0	0	0	109.3	G483 T484 L489 L505 M506 C507 L537 Y560	G483-Y491 CarbonylContact C-O 3.58Å; G483-Y491 WeakPolarHBondContact CA-O 3.17Å; T484-Y491 PolarHBondContact N-O 3.02Å; T484-Y491 PolarHBondContact O-N 2.97Å; L489-Y491 HydrophobicContact CB-CE2 3.84Å; Y491-L505 HydrophobicContact CD1-CD1 4.38Å; Y491-L505 HydrophobicContact CD1-CD2 4.36Å; Y491-L505 HydrophobicContact CD1-CG 4.47Å; Y491-M506 CarbonylContact C-O 3.41Å; Y491-M506 WeakPolarHBondContact CA-O 3.23Å; Y491-C507 HydrophobicContact CD1-CB 3.91Å; Y491-C507 HydrophobicContact CE1-CB 3.85Å; Y491-C507 VanDerWaalsContact CE1-SG 3.56Å; Y491-L537 HydrophobicContact CD2-CD2 3.6Å; Y491-L537 HydrophobicContact CE2-CD2 4.17Å; Y491-L537 HydrophobicContact CG-CD2 3.94Å; Y491-Y560 HydrophobicContact CD1-CE1 4.42Å; Y491-Y560 HydrophobicContact CE1-CE1 4.07Å
492	I	98.4	Very high	96.3	Very high	7 Å²	7	33.1 Å²	33.1	4%	0.036	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	127.8	179.5	-56	-61.8	0	0	0	108.8	H435 V446 H481 A482 M490 L505 M506 W515	H435-I492 HydrophobicContact CB-CD1 4.04Å; H435-I492 WeakPolarHBondContact CD2-CD1 3.49Å; V446-I492 HydrophobicContact CB-CD1 4.36Å; V446-I492 HydrophobicContact CG1-CD1 4.24Å; V446-I492 HydrophobicContact CG1-CG1 4.2Å; V446-I492 HydrophobicContact CG2-CD1 4.26Å; H481-I492 HydrophobicContact CB-CG2 3.98Å; H481-I492 WeakPolarHBondContact CD2-CG2 3.36Å; A482-I492 CarbonylContact O-C 3.55Å; A482-I492 WeakPolarHBondContact O-CA 3.41Å; M490-I492 HydrophobicContact CG-CD1 4.09Å; M490-I492 HydrophobicContact CG-CG1 4.48Å; M490-I492 HydrophobicContact SD-CD1 4.24Å; I492-L505 CarbonylContact O-C 3.57Å; I492-L505 WeakPolarHBondContact O-CA 3.47Å; I492-M506 PolarHBondContact N-O 3.4Å; I492-M506 PolarHBondContact O-N 3.3Å; I492-W515 HydrophobicContact CB-CZ3 4.27Å; I492-W515 HydrophobicContact CG1-CH2 3.61Å; I492-W515 HydrophobicContact CG1-CZ3 3.7Å
493	S	97.9	Very high	96.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	142.7	-178.2	59.2	0	0	0	0	112.4	H481 A482 E504 H528 M530	H481-S493 WeakPolarHBondContact CB-O 3.35Å; A482-S493 PolarHBondContact N-O 2.85Å; A482-S493 PolarHBondContact O-N 3.44Å; A482-S493 PolarHBondContact O-OG 3.4Å; S493-E504 WeakPolarHBondContact CA-O 3.43Å; S493-H528 PolarHBondContact O-CE1 2.81Å; S493-H528 PolarHBondContact O-NE2 3.24Å; S493-H528 VanDerWaalsContact O-NE2 3.13Å; S493-H528 PolarHBondContact OG-NE2 2.89Å; S493-M530 PolarHBondContact OG-SD 3.43Å; S493-M530 VanDerWaalsContact OG-SD 3.36Å
494	G	97.1	Very high	96.3	Very high	5 Å²	5	39.3 Å²	39.3	5%	0.052	22%	0.221	C	C	.	.			trans	57.8	-139.7	168.4	0	0	0	0	0	114.2	H481 Q502 E504	H481-G494 WeakPolarHBondContact CB-O 3.25Å; G494-Q502 WeakPolarHBondContact CA-O 3.32Å; G494-E504 PolarHBondContact N-O 2.83Å
495	G	96.6	Very high	96.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.215	C	C	.	.			trans	93.2	-163.7	-174.4	0	0	0	0	0	112.6	Q502 R525	G495-Q502 PolarHBondContact O-N 3.03Å; G495-R525 PolarHBondContact N-O 2.77Å
496	I	95.4	Very high	96.3	Very high	8 Å²	8	38.2 Å²	38.2	4%	0.041	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	132.6	-174	-56.2	162.6	0	0	0	109	H478 Y479 T500 F501	H478-I496 WeakPolarHBondContact CA-O 3.41Å; Y479-I496 HydrophobicContact CD1-CB 4.23Å; Y479-I496 HydrophobicContact CE1-CB 3.75Å; Y479-I496 HydrophobicContact CE1-CG2 3.66Å; Y479-I496 HydrophobicContact CE2-CB 4.2Å; Y479-I496 HydrophobicContact CE2-CD1 3.74Å; Y479-I496 PolarHBondContact N-O 3.1Å; Y479-I496 VanDerWaalsContact N-O 3.08Å; Y479-I496 PolarHBondContact O-N 3.06Å; I496-T500 WeakPolarHBondContact CA-O 3.38Å; I496-F501 HydrophobicContact CD1-CD1 4.4Å; I496-F501 HydrophobicContact CD1-CE1 3.84Å; I496-F501 HydrophobicContact CD1-CZ 4.25Å; I496-F501 HydrophobicContact CG1-CD1 3.81Å; I496-F501 HydrophobicContact CG1-CE1 3.77Å; I496-F501 HydrophobicContact CG1-CZ 4.45Å
497	T	94	Very high	96.3	Very high	10 Å²	10	35 Å²	35	6%	0.061	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	126.8	174.1	-63.1	0	0	0	0	108	E476 P477 H478 D499 T500	E476-T497 HydrophobicContact CB-CG2 4.19Å; P477-T497 WeakPolarHBondContact O-CB 3.41Å; P477-T497 VanDerWaalsContact O-CG2 3.31Å; P477-T497 WeakPolarHBondContact O-CG2 3.3Å; P477-T497 PolarHBondContact O-OG1 2.83Å; H478-T497 PolarHBondContact CE1-OG1 3.02Å; H478-T497 VanDerWaalsContact CG-OG1 3.31Å; H478-T497 PolarHBondContact ND1-OG1 2.81Å; T497-D499 VanDerWaalsContact C-N 3.26Å; T497-D499 PolarHBondContact O-N 2.8Å; T497-T500 PolarHBondContact N-O 2.95Å; T497-T500 WeakPolarHBondContact O-CB 3.49Å; T497-T500 PolarHBondContact O-N 2.85Å
498	H	90.3	Very high	96.3	Very high	118 Å²	118	31.9 Å²	31.9	55%	0.546	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	49.8	178.3	-53.8	-28.2	0	0	0	111.9	E454 E476 T500	E454-H498 PolarHBondContact OE1-N 3.41Å; E454-H498 IonicContact OE2-CE1 3.87Å; E454-H498 PolarHBondContact OE2-N 3.28Å; E454-H498 VanDerWaalsContact OE2-N 3.16Å; E454-H498 IonicContact OE2-ND1 3.92Å; E454-H498 PolarHBondContact OE2-ND1 2.7Å; E454-H498 VanDerWaalsContact OE2-ND1 3.13Å; E476-H498 IonicContact OE2-NE2 3.13Å; H498-T500 PolarHBondContact O-N 2.73Å; H498-T500 PolarHBondContact O-OG1 2.84Å; H498-T500 VanDerWaalsContact O-OG1 3.11Å
499	D	86.4	Confident	96.4	Very high	124 Å²	124	32.6 Å²	32.6	66%	0.663	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.6	16.2	-177.8	-60.8	-48.5	0	0	0	115.4	T497	T497-D499 VanDerWaalsContact C-N 3.26Å; T497-D499 PolarHBondContact O-N 2.8Å
500	T	92.8	Very high	96.3	Very high	80 Å²	80	31.5 Å²	31.5	49%	0.491	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	130.2	-178.9	-43.8	0	0	0	0	111	I496 T497 H498 Q502	I496-T500 WeakPolarHBondContact CA-O 3.38Å; T497-T500 PolarHBondContact N-O 2.95Å; T497-T500 WeakPolarHBondContact O-CB 3.49Å; T497-T500 PolarHBondContact O-N 2.85Å; H498-T500 PolarHBondContact O-N 2.73Å; H498-T500 PolarHBondContact O-OG1 2.84Å; H498-T500 VanDerWaalsContact O-OG1 3.11Å; T500-Q502 PolarHBondContact O-NE2 3.37Å
501	F	95.4	Very high	96.3	Very high	17 Å²	17	37.3 Å²	37.3	8%	0.075	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	136	175.9	-71.5	-82.8	0	0	0	111.8	I496 V524 N543 H544 F545 Y551	I496-F501 HydrophobicContact CD1-CD1 4.4Å; I496-F501 HydrophobicContact CD1-CE1 3.84Å; I496-F501 HydrophobicContact CD1-CZ 4.25Å; I496-F501 HydrophobicContact CG1-CD1 3.81Å; I496-F501 HydrophobicContact CG1-CE1 3.77Å; I496-F501 HydrophobicContact CG1-CZ 4.45Å; F501-V524 HydrophobicContact CB-CB 3.9Å; F501-V524 HydrophobicContact CB-CG2 4.06Å; F501-N543 WeakPolarHBondContact CD1-O 3.26Å; F501-N543 WeakPolarHBondContact CE1-O 3.19Å; F501-N543 VanDerWaalsContact CE1-OD1 3.25Å; F501-N543 WeakPolarHBondContact CE1-OD1 3.41Å; F501-H544 HydrophobicContact CD1-CB 4.48Å; F501-H544 HydrophobicContact CD2-CB 4.23Å; F501-H544 HydrophobicContact CE2-CB 4.46Å; F501-H544 HydrophobicContact CG-CB 4.22Å; F501-F545 AromaticContact CD2-CD2 3.72Å; F501-F545 HydrophobicContact CD2-CD2 3.72Å; F501-F545 AromaticContact CD2-CE2 3.92Å; F501-F545 HydrophobicContact CD2-CE2 3.92Å; F501-F545 HydrophobicContact CD2-CG 4.26Å; F501-F545 HydrophobicContact CE2-CD1 4.07Å; F501-F545 AromaticContact CE2-CD2 3.57Å; F501-F545 HydrophobicContact CE2-CD2 3.57Å; F501-F545 HydrophobicContact CE2-CE1 4.08Å; F501-F545 AromaticContact CE2-CE2 3.58Å; F501-F545 HydrophobicContact CE2-CE2 3.58Å; F501-F545 AromaticContact CE2-CG 3.81Å; F501-F545 HydrophobicContact CE2-CG 3.81Å; F501-F545 AromaticContact CE2-CZ 3.84Å; F501-F545 HydrophobicContact CE2-CZ 3.84Å; F501-Y551 HydrophobicContact CE2-CE1 4.4Å; F501-Y551 HydrophobicContact CZ-CD1 4.2Å; F501-Y551 AromaticContact CZ-CE1 3.89Å; F501-Y551 HydrophobicContact CZ-CE1 3.89Å
502	Q	96.6	Very high	96.2	Very high	38 Å²	38	40.4 Å²	40.4	18%	0.178	21%	0.212	C	C	.	.			trans	-106.7	159.2	-175.6	-56.7	-55.1	-49.4	0	0	110.8	G494 G495 T500 E504 V524 R525	G494-Q502 WeakPolarHBondContact CA-O 3.32Å; G495-Q502 PolarHBondContact O-N 3.03Å; T500-Q502 PolarHBondContact O-NE2 3.37Å; Q502-E504 WeakPolarHBondContact CB-OE2 3.43Å; Q502-E504 PolarHBondContact OE1-OE2 2.92Å; Q502-V524 WeakPolarHBondContact O-CA 3.36Å; Q502-R525 PolarHBondContact O-N 3.49Å; Q502-R525 VanDerWaalsContact O-N 3.11Å
503	K	96.9	Very high	96.2	Very high	82 Å²	82	43.4 Å²	43.4	36%	0.357	23%	0.229	S	C	.	.			trans	-129.3	-1.8	174.6	61	177	-175.4	174.2	0	113.5	P520 M521 V524	K503-P520 HydrophobicContact CD-CB 4.45Å; K503-P520 HydrophobicContact CG-CB 4.15Å; K503-P520 CarbonylContact O-C 3.57Å; K503-P520 WeakPolarHBondContact O-CA 3.18Å; K503-M521 HydrophobicContact CB-CB 4.17Å; K503-M521 HydrophobicContact CB-CE 4.46Å; K503-M521 WeakPolarHBondContact O-CB 3.44Å; K503-M521 PolarHBondContact O-N 2.81Å; K503-V524 HydrophobicContact CB-CG1 3.89Å; K503-V524 HydrophobicContact CD-CG1 4.16Å; K503-V524 HydrophobicContact CG-CG1 4.09Å
504	E	97.5	Very high	96.2	Very high	60 Å²	60	49.9 Å²	49.9	28%	0.28	26%	0.257	S	S	.	.			trans	-63.8	146.4	-176	-70	64.9	-149.6	0	0	110.4	S493 G494 Q502	S493-E504 WeakPolarHBondContact CA-O 3.43Å; G494-E504 PolarHBondContact N-O 2.83Å; Q502-E504 WeakPolarHBondContact CB-OE2 3.43Å; Q502-E504 PolarHBondContact OE1-OE2 2.92Å
505	L	98.2	Very high	96.3	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	118.5	170.8	179.7	66.4	0	0	0	108.1	Y491 I492 K518 A519 M530 Y560 W567	Y491-L505 HydrophobicContact CD1-CD1 4.38Å; Y491-L505 HydrophobicContact CD1-CD2 4.36Å; Y491-L505 HydrophobicContact CD1-CG 4.47Å; I492-L505 CarbonylContact O-C 3.57Å; I492-L505 WeakPolarHBondContact O-CA 3.47Å; L505-K518 HydrophobicContact CB-CB 4.12Å; L505-K518 HydrophobicContact CD2-CB 3.67Å; L505-K518 HydrophobicContact CD2-CG 4.38Å; L505-K518 HydrophobicContact CG-CB 3.89Å; L505-K518 PolarHBondContact O-N 2.97Å; L505-A519 WeakPolarHBondContact CB-O 3.2Å; L505-M530 HydrophobicContact CD1-CE 4.14Å; L505-Y560 HydrophobicContact CD2-CD1 3.8Å; L505-Y560 HydrophobicContact CD2-CD2 3.69Å; L505-Y560 HydrophobicContact CD2-CE1 3.73Å; L505-Y560 HydrophobicContact CD2-CE2 3.62Å; L505-Y560 HydrophobicContact CD2-CG 3.77Å; L505-W567 HydrophobicContact CB-CZ2 4.34Å; L505-W567 HydrophobicContact CD1-CZ2 4.17Å; L505-W567 HydrophobicContact CD2-CZ2 3.81Å; L505-W567 HydrophobicContact CG-CZ2 4.33Å
506	M	98.1	Very high	96.4	Very high	34 Å²	34	54.6 Å²	54.6	17%	0.167	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	135.9	177.3	-60.8	-56.7	-63.4	0	0	109.7	Y491 I492 W515 Q517	Y491-M506 CarbonylContact C-O 3.41Å; Y491-M506 WeakPolarHBondContact CA-O 3.23Å; I492-M506 PolarHBondContact N-O 3.4Å; I492-M506 PolarHBondContact O-N 3.3Å; M506-W515 HydrophobicContact CB-CE3 3.68Å; M506-W515 HydrophobicContact CB-CZ3 3.87Å; M506-W515 HydrophobicContact CE-CB 4.14Å; M506-Q517 HydrophobicContact CE-CB 4.27Å; M506-Q517 HydrophobicContact SD-CB 3.9Å; M506-Q517 HydrophobicContact SD-CG 4.01Å
507	C	98.4	Very high	96.5	Very high	3 Å²	3	60.4 Å²	60.4	2%	0.02	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	119.4	-179.2	178.6	0	0	0	0	109.8	M490 Y491 W515 T516 K518	M490-C507 CarbonylContact O-C 3.25Å; M490-C507 VanDerWaalsContact O-CA 3.32Å; M490-C507 WeakPolarHBondContact O-CA 3.41Å; Y491-C507 HydrophobicContact CD1-CB 3.91Å; Y491-C507 HydrophobicContact CE1-CB 3.85Å; Y491-C507 VanDerWaalsContact CE1-SG 3.56Å; C507-W515 CarbonylContact O-C 3.51Å; C507-W515 WeakPolarHBondContact O-CA 3.47Å; C507-T516 PolarHBondContact N-O 2.88Å; C507-T516 PolarHBondContact O-N 2.91Å; C507-T516 PolarHBondContact O-OG1 3.35Å; C507-K518 HydrophobicContact CB-CG 3.84Å
508	F	98.7	Very high	96.7	Very high	1 Å²	1	62.9 Å²	62.9	0%	0.004	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	128.3	177.1	179.4	-109.3	0	0	0	111.1	Y444 V471 A472 M490 P510 D513 K514 W515	Y444-F508 AromaticContact CD1-CE1 3.95Å; Y444-F508 HydrophobicContact CD1-CE1 3.95Å; Y444-F508 AromaticContact CE1-CE1 3.63Å; Y444-F508 HydrophobicContact CE1-CE1 3.63Å; Y444-F508 HydrophobicContact CE1-CZ 4.33Å; V471-F508 HydrophobicContact CB-CZ 4.34Å; V471-F508 HydrophobicContact CG2-CZ 4.04Å; A472-F508 HydrophobicContact CB-CE2 4.2Å; M490-F508 HydrophobicContact CB-CB 4.32Å; M490-F508 HydrophobicContact CE-CB 4.01Å; M490-F508 HydrophobicContact CE-CD1 3.72Å; M490-F508 HydrophobicContact CE-CG 4.11Å; M490-F508 PolarHBondContact N-O 2.9Å; M490-F508 PolarHBondContact O-N 3.33Å; F508-P510 HydrophobicContact CE1-CB 3.88Å; F508-D513 WeakPolarHBondContact CE2-OD1 3.34Å; F508-D513 WeakPolarHBondContact CZ-OD1 3.5Å; F508-K514 WeakPolarHBondContact CA-O 2.87Å; F508-W515 HydrophobicContact CB-CD2 3.82Å; F508-W515 HydrophobicContact CB-CE3 3.66Å; F508-W515 HydrophobicContact CB-CH2 3.63Å; F508-W515 HydrophobicContact CB-CZ2 3.74Å; F508-W515 HydrophobicContact CB-CZ3 3.59Å; F508-W515 AromaticContact CD2-CD1 3.89Å; F508-W515 AromaticContact CD2-CD2 3.93Å; F508-W515 HydrophobicContact CD2-CD2 3.93Å; F508-W515 AromaticContact CD2-CE2 3.55Å; F508-W515 HydrophobicContact CD2-CG 4.15Å; F508-W515 AromaticContact CD2-CZ2 3.97Å; F508-W515 HydrophobicContact CD2-CZ2 3.97Å; F508-W515 AromaticContact CD2-NE1 3.5Å; F508-W515 HydrophobicContact CG-CD2 4.32Å; F508-W515 AromaticContact CG-CE2 3.96Å; F508-W515 HydrophobicContact CG-CH2 4.33Å; F508-W515 AromaticContact CG-CZ2 3.96Å; F508-W515 HydrophobicContact CG-CZ2 3.96Å
509	D	98.4	Very high	97.1	Very high	39 Å²	39	58.5 Å²	58.5	21%	0.209	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	112.5	170.2	177.7	6.6	0	0	0	109.9	L489 D511 T512 D513 K514	L489-D509 HydrophobicContact CD2-CB 3.6Å; D509-D511 VanDerWaalsContact C-N 3.26Å; D509-D511 PolarHBondContact O-N 3.02Å; D509-D511 WeakPolarHBondContact OD1-CB 3.35Å; D509-D511 PolarHBondContact OD1-N 3.16Å; D509-T512 WeakPolarHBondContact CB-OG1 3.36Å; D509-T512 VanDerWaalsContact CG-OG1 3.23Å; D509-T512 VanDerWaalsContact OD2-CG2 3.29Å; D509-T512 WeakPolarHBondContact OD2-CG2 3.37Å; D509-T512 PolarHBondContact OD2-OG1 3.49Å; D509-D513 WeakPolarHBondContact O-CA 3.2Å; D509-D513 PolarHBondContact O-N 2.8Å; D509-K514 PolarHBondContact N-O 3.24Å; D509-K514 PolarHBondContact O-N 2.78Å
510	P	97.8	Very high	97.7	Very high	24 Å²	24	55.4 Å²	55.4	16%	0.156	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-19.2	-180	32.4	-39	0	0	0	113.5	L439 K440 Y444 F508	L439-P510 HydrophobicContact CD2-CB 4.17Å; L439-P510 HydrophobicContact CD2-CG 3.65Å; L439-P510 HydrophobicContact CG-CG 4.18Å; K440-P510 HydrophobicContact CD-CG 4.03Å; Y444-P510 HydrophobicContact CE1-CB 4.5Å; Y444-P510 WeakPolarHBondContact OH-CB 3.29Å; F508-P510 HydrophobicContact CE1-CB 3.88Å
511	D	97.8	Very high	97.9	Very high	121 Å²	121	51.7 Å²	51.7	65%	0.647	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-33.3	-178.9	-64.5	-14.2	0	0	0	111.3	K440 D509	K440-D511 IonicContact NZ-OD1 2.73Å; K440-D511 PolarHBondContact NZ-OD1 2.93Å; K440-D511 IonicContact NZ-OD2 3.32Å; K440-D511 PolarHBondContact NZ-OD2 3.45Å; D509-D511 VanDerWaalsContact C-N 3.26Å; D509-D511 PolarHBondContact O-N 3.02Å; D509-D511 WeakPolarHBondContact OD1-CB 3.35Å; D509-D511 PolarHBondContact OD1-N 3.16Å
512	T	98	Very high	98	Very high	78 Å²	78	55.8 Å²	55.8	48%	0.479	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-6.6	177.5	60.6	0	0	0	0	113.7	D509 K514	D509-T512 WeakPolarHBondContact CB-OG1 3.36Å; D509-T512 VanDerWaalsContact CG-OG1 3.23Å; D509-T512 VanDerWaalsContact OD2-CG2 3.29Å; D509-T512 WeakPolarHBondContact OD2-CG2 3.37Å; D509-T512 PolarHBondContact OD2-OG1 3.49Å; T512-K514 VanDerWaalsContact C-N 3.34Å; T512-K514 WeakPolarHBondContact O-CG 3.41Å; T512-K514 PolarHBondContact O-N 2.78Å
513	D	98.2	Very high	97.9	Very high	70 Å²	70	55.9 Å²	55.9	37%	0.374	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	50.1	-175.1	-166.1	31.3	0	0	0	112.3	V471 A472 F508 D509	V471-D513 WeakPolarHBondContact CB-OD1 3.37Å; A472-D513 WeakPolarHBondContact CB-O 3.48Å; A472-D513 VanDerWaalsContact CB-OD1 3.26Å; A472-D513 WeakPolarHBondContact CB-OD1 3.24Å; A472-D513 PolarHBondContact N-OD1 2.98Å; A472-D513 PolarHBondContact N-OD2 2.87Å; F508-D513 WeakPolarHBondContact CE2-OD1 3.34Å; F508-D513 WeakPolarHBondContact CZ-OD1 3.5Å; D509-D513 WeakPolarHBondContact O-CA 3.2Å; D509-D513 PolarHBondContact O-N 2.8Å
514	K	98.1	Very high	97.8	Very high	135 Å²	135	54.4 Å²	54.4	59%	0.587	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.1	145.4	-173.9	-77	176.1	-174.1	180	0	113	F508 D509 T512	F508-K514 WeakPolarHBondContact CA-O 2.87Å; D509-K514 PolarHBondContact N-O 3.24Å; D509-K514 PolarHBondContact O-N 2.78Å; T512-K514 VanDerWaalsContact C-N 3.34Å; T512-K514 WeakPolarHBondContact O-CG 3.41Å; T512-K514 PolarHBondContact O-N 2.78Å
515	W	98.4	Very high	97.8	Very high	37 Å²	37	51.6 Å²	51.6	14%	0.14	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	137.2	170.5	-68.9	92.6	0	0	0	110.8	V446 V458 A472 K473 M474 M490 I492 M506 C507 F508	V446-W515 HydrophobicContact CG1-CH2 4.05Å; V446-W515 HydrophobicContact CG1-CZ2 4.26Å; V446-W515 HydrophobicContact CG2-CH2 4.48Å; V458-W515 HydrophobicContact CG2-CZ2 3.97Å; A472-W515 PolarHBondContact O-NE1 2.86Å; K473-W515 VanDerWaalsContact O-CD1 3.31Å; K473-W515 PolarHBondContact O-NE1 2.76Å; M474-W515 HydrophobicContact CG-CH2 4.45Å; M474-W515 HydrophobicContact CG-CZ2 4.11Å; M490-W515 HydrophobicContact CE-CH2 3.98Å; M490-W515 HydrophobicContact CE-CZ2 4.28Å; I492-W515 HydrophobicContact CB-CZ3 4.27Å; I492-W515 HydrophobicContact CG1-CH2 3.61Å; I492-W515 HydrophobicContact CG1-CZ3 3.7Å; M506-W515 HydrophobicContact CB-CE3 3.68Å; M506-W515 HydrophobicContact CB-CZ3 3.87Å; M506-W515 HydrophobicContact CE-CB 4.14Å; C507-W515 CarbonylContact O-C 3.51Å; C507-W515 WeakPolarHBondContact O-CA 3.47Å; F508-W515 HydrophobicContact CB-CD2 3.82Å; F508-W515 HydrophobicContact CB-CE3 3.66Å; F508-W515 HydrophobicContact CB-CH2 3.63Å; F508-W515 HydrophobicContact CB-CZ2 3.74Å; F508-W515 HydrophobicContact CB-CZ3 3.59Å; F508-W515 AromaticContact CD2-CD1 3.89Å; F508-W515 AromaticContact CD2-CD2 3.93Å; F508-W515 HydrophobicContact CD2-CD2 3.93Å; F508-W515 AromaticContact CD2-CE2 3.55Å; F508-W515 HydrophobicContact CD2-CG 4.15Å; F508-W515 AromaticContact CD2-CZ2 3.97Å; F508-W515 HydrophobicContact CD2-CZ2 3.97Å; F508-W515 AromaticContact CD2-NE1 3.5Å; F508-W515 HydrophobicContact CG-CD2 4.32Å; F508-W515 AromaticContact CG-CE2 3.96Å; F508-W515 HydrophobicContact CG-CH2 4.33Å; F508-W515 AromaticContact CG-CZ2 3.96Å; F508-W515 HydrophobicContact CG-CZ2 3.96Å
516	T	98	Very high	97.7	Very high	67 Å²	67	51.6 Å²	51.6	41%	0.411	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	136.3	173.7	57.9	0	0	0	0	109.6	C507	C507-T516 PolarHBondContact N-O 2.88Å; C507-T516 PolarHBondContact O-N 2.91Å; C507-T516 PolarHBondContact O-OG1 3.35Å
517	Q	98.1	Very high	97.5	Very high	130 Å²	130	50.9 Å²	50.9	61%	0.607	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.3	139.5	174.6	-173	172.2	-10.8	0	0	110	M506	M506-Q517 HydrophobicContact CE-CB 4.27Å; M506-Q517 HydrophobicContact SD-CB 3.9Å; M506-Q517 HydrophobicContact SD-CG 4.01Å
518	K	98.4	Very high	97.5	Very high	63 Å²	63	51.4 Å²	51.4	27%	0.274	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	176.6	175.6	-63.3	-59.2	-176.7	179.2	0	110.5	L505 C507	L505-K518 HydrophobicContact CB-CB 4.12Å; L505-K518 HydrophobicContact CD2-CB 3.67Å; L505-K518 HydrophobicContact CD2-CG 4.38Å; L505-K518 HydrophobicContact CG-CB 3.89Å; L505-K518 PolarHBondContact O-N 2.97Å; C507-K518 HydrophobicContact CB-CG 3.84Å
519	A	98.4	Very high	97.4	Very high	25 Å²	25	51.8 Å²	51.8	21%	0.207	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-55.5	129.3	177	0	0	0	0	0	110.8	L505 Y560 D565 W567	L505-A519 WeakPolarHBondContact CB-O 3.2Å; A519-Y560 HydrophobicContact CB-CE2 4.35Å; A519-D565 WeakPolarHBondContact CB-O 3.2Å; A519-D565 VanDerWaalsContact CB-OD1 3.29Å; A519-D565 WeakPolarHBondContact CB-OD1 3.15Å; A519-D565 PolarHBondContact N-OD1 2.78Å; A519-W567 PolarHBondContact O-NE1 3Å
520	P	98.3	Very high	97.4	Very high	59 Å²	59	50.3 Å²	50.3	38%	0.383	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-73.1	155.2	-179	31	-35.1	0	0	0	111.2	K503 W567	K503-P520 HydrophobicContact CD-CB 4.45Å; K503-P520 HydrophobicContact CG-CB 4.15Å; K503-P520 CarbonylContact O-C 3.57Å; K503-P520 WeakPolarHBondContact O-CA 3.18Å; P520-W567 PolarHBondContact O-NE1 3.01Å
521	M	98.1	Very high	97.4	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.015	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-58	161.8	170.1	-72.1	-176.6	-57.6	0	0	112	K503 R525 V539 E558 W567	K503-M521 HydrophobicContact CB-CB 4.17Å; K503-M521 HydrophobicContact CB-CE 4.46Å; K503-M521 WeakPolarHBondContact O-CB 3.44Å; K503-M521 PolarHBondContact O-N 2.81Å; M521-R525 HydrophobicContact CE-CG 3.64Å; M521-R525 HydrophobicContact SD-CG 4.18Å; M521-V539 HydrophobicContact SD-CB 4.19Å; M521-V539 HydrophobicContact SD-CG1 3.66Å; M521-V539 HydrophobicContact SD-CG2 4.01Å; M521-E558 VanDerWaalsContact CB-OE1 3.23Å; M521-E558 WeakPolarHBondContact CB-OE1 3.46Å; M521-W567 HydrophobicContact CG-CD2 4.08Å; M521-W567 HydrophobicContact CG-CE3 4.35Å; M521-W567 HydrophobicContact CG-CH2 3.76Å; M521-W567 HydrophobicContact CG-CZ2 3.39Å; M521-W567 HydrophobicContact CG-CZ3 4.22Å; M521-W567 HydrophobicContact SD-CH2 4.25Å; M521-W567 HydrophobicContact SD-CZ2 4.36Å
522	T	96.4	Very high	97.4	Very high	103 Å²	103	45.3 Å²	45.3	63%	0.632	25%	0.246	S	C	*	.	S	Bend	trans	-73.8	-37.6	176.2	-44.7	0	0	0	0	111.4	E558	T522-E558 VanDerWaalsContact CB-OE2 3.28Å; T522-E558 WeakPolarHBondContact CB-OE2 3.48Å; T522-E558 PolarHBondContact N-OE1 3.48Å; T522-E558 PolarHBondContact N-OE2 3.26Å; T522-E558 PolarHBondContact OG1-OE2 2.87Å
523	T	94.7	Very high	97.4	Very high	39 Å²	39	42.3 Å²	42.3	24%	0.239	23%	0.228	C	C	.	.	S	Bend	trans	-119.2	131.8	-173	-54.6	0	0	0	0	110.6	V554	T523-V554 HydrophobicContact CG2-CG1 4.27Å
524	V	95.9	Very high	97.3	Very high	52 Å²	52	42.1 Å²	42.1	32%	0.315	24%	0.242	S	C	.	.			trans	-64.8	137.9	170.3	-63.5	0	0	0	0	109.9	F501 Q502 K503 H544	F501-V524 HydrophobicContact CB-CB 3.9Å; F501-V524 HydrophobicContact CB-CG2 4.06Å; Q502-V524 WeakPolarHBondContact O-CA 3.36Å; K503-V524 HydrophobicContact CB-CG1 3.89Å; K503-V524 HydrophobicContact CD-CG1 4.16Å; K503-V524 HydrophobicContact CG-CG1 4.09Å; V524-H544 HydrophobicContact CG2-CB 4.17Å
525	R	96.6	Very high	97.3	Very high	1 Å²	1	39.5 Å²	39.5	0%	0.004	24%	0.235	C	C	.	.			trans	-159.1	148.9	-177.9	59.3	-179.7	89	-150	9.7	112.3	G495 Q502 M521 H528 G541 N543 V554 S556 E558	G495-R525 PolarHBondContact N-O 2.77Å; Q502-R525 PolarHBondContact O-N 3.49Å; Q502-R525 VanDerWaalsContact O-N 3.11Å; M521-R525 HydrophobicContact CE-CG 3.64Å; M521-R525 HydrophobicContact SD-CG 4.18Å; R525-H528 HydrophobicContact CG-CB 4.28Å; R525-G541 PolarHBondContact NH1-O 3.12Å; R525-N543 WeakPolarHBondContact CA-O 3.01Å; R525-V554 HydrophobicContact CB-CG2 4.01Å; R525-V554 VanDerWaalsContact NH1-CG1 3.32Å; R525-S556 PolarHBondContact NH1-O 2.83Å; R525-S556 PolarHBondContact NH2-O 3.03Å; R525-E558 IonicContact CZ-OE1 3.25Å; R525-E558 IonicContact NH2-OE1 2.86Å; R525-E558 PolarHBondContact NH2-OE1 3.15Å
526	G	95.9	Very high	97.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-133.8	164.5	169.5	0	0	0	0	0	110.6	H528 G542 N543	G526-H528 PolarHBondContact O-N 2.9Å; G526-G542 CarbonylContact O-C 3.58Å; G526-G542 WeakPolarHBondContact O-CA 3.34Å; G526-N543 PolarHBondContact N-O 3.39Å; G526-N543 PolarHBondContact O-N 2.8Å; G526-N543 PolarHBondContact O-OD1 3.09Å; G526-N543 VanDerWaalsContact O-OD1 3.04Å
527	L	95.7	Very high	97.3	Very high	19 Å²	19	37.4 Å²	37.4	10%	0.099	22%	0.221	C	C	.	.	S	Bend	trans	54.8	22.7	-177	-49.2	177.8	0	0	0	113.3	F433 G480 S578 D579 W597	F433-L527 HydrophobicContact CD1-CD2 3.72Å; F433-L527 HydrophobicContact CE1-CD2 3.98Å; G480-L527 PolarHBondContact O-N 2.91Å; L527-S578 WeakPolarHBondContact O-CA 3.31Å; L527-D579 WeakPolarHBondContact CD2-OD1 3.45Å; L527-D579 PolarHBondContact O-N 3.13Å; L527-W597 HydrophobicContact CD1-CZ2 4.38Å
528	H	97.1	Very high	97.3	Very high	14 Å²	14	31.5 Å²	31.5	7%	0.065	19%	0.193	C	C	.	.			trans	-80.8	179.1	173.9	63.2	-74.6	0	0	0	110.8	A482 S493 R525 G526 G541	A482-H528 VanDerWaalsContact CB-CD2 3.43Å; A482-H528 WeakPolarHBondContact CB-CD2 3.45Å; A482-H528 WeakPolarHBondContact CB-NE2 3.41Å; A482-H528 WeakPolarHBondContact CB-O 3.24Å; S493-H528 PolarHBondContact O-CE1 2.81Å; S493-H528 PolarHBondContact O-NE2 3.24Å; S493-H528 VanDerWaalsContact O-NE2 3.13Å; S493-H528 PolarHBondContact OG-NE2 2.89Å; R525-H528 HydrophobicContact CG-CB 4.28Å; G526-H528 PolarHBondContact O-N 2.9Å; H528-G541 WeakPolarHBondContact CB-O 3.45Å
529	C	96.9	Very high	97.3	Very high	8 Å²	8	28.5 Å²	28.5	5%	0.054	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	157.3	171.5	68.6	0	0	0	0	111.1	I540 V580 V582	C529-I540 PolarHBondContact N-O 2.77Å; C529-I540 PolarHBondContact O-N 2.84Å; C529-I540 PolarHBondContact SG-O 2.83Å; C529-I540 VanDerWaalsContact SG-O 3.37Å; C529-V580 HydrophobicContact CB-CG2 3.6Å; C529-V582 HydrophobicContact CB-CB 3.88Å; C529-V582 HydrophobicContact CB-CG1 3.78Å; C529-V582 HydrophobicContact CB-CG2 4.48Å
530	M	97.8	Very high	97.3	Very high	8 Å²	8	27.4 Å²	27.4	4%	0.039	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	139.9	177.8	-168.2	178.2	-177.5	0	0	109	A482 T484 S493 L505 L537 Y538 V539 W567	A482-M530 HydrophobicContact CB-CB 3.73Å; T484-M530 HydrophobicContact CG2-CE 3.81Å; T484-M530 HydrophobicContact CG2-CG 3.69Å; T484-M530 HydrophobicContact CG2-SD 3.95Å; S493-M530 PolarHBondContact OG-SD 3.43Å; S493-M530 VanDerWaalsContact OG-SD 3.36Å; L505-M530 HydrophobicContact CD1-CE 4.14Å; M530-L537 HydrophobicContact CE-CB 3.47Å; M530-L537 VanDerWaalsContact CE-CB 3.47Å; M530-L537 HydrophobicContact CE-CD2 4.18Å; M530-L537 HydrophobicContact CE-CG 4.36Å; M530-Y538 CarbonylContact C-O 3.53Å; M530-Y538 WeakPolarHBondContact CA-O 3.49Å; M530-Y538 VanDerWaalsContact CG-O 3.32Å; M530-Y538 WeakPolarHBondContact CG-O 3.43Å; M530-V539 HydrophobicContact CB-CG2 4.18Å; M530-V539 HydrophobicContact CE-CG2 4.26Å; M530-V539 HydrophobicContact CG-CG2 3.7Å; M530-V539 HydrophobicContact SD-CG2 3.96Å; M530-W567 HydrophobicContact CE-CH2 4.23Å
531	C	98.2	Very high	97.2	Very high	8 Å²	8	24.6 Å²	24.6	5%	0.054	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	162.5	176.9	65.4	0	0	0	0	111.2	L537 Y538 V582 V584 I589	C531-L537 CarbonylContact O-C 3.51Å; C531-L537 WeakPolarHBondContact O-CA 3.4Å; C531-Y538 PolarHBondContact N-O 3.08Å; C531-Y538 PolarHBondContact O-N 3.04Å; C531-V582 HydrophobicContact CB-CG2 4.08Å; C531-V584 HydrophobicContact CB-CG2 3.97Å; C531-I589 VanDerWaalsContact SG-CG2 3.56Å
532	T	98.3	Very high	97.1	Very high	32 Å²	32	24.5 Å²	24.5	20%	0.196	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	129.4	-179.4	-60.3	0	0	0	0	109.6	T484 V485 Y486 K536	T484-T532 VanDerWaalsContact CG2-OG1 3.25Å; T484-T532 WeakPolarHBondContact CG2-OG1 3.28Å; T484-T532 PolarHBondContact OG1-N 3.21Å; T484-T532 PolarHBondContact OG1-OG1 3.19Å; V485-T532 PolarHBondContact O-OG1 2.91Å; Y486-T532 HydrophobicContact CD2-CG2 3.86Å; Y486-T532 HydrophobicContact CG-CG2 4.42Å; T532-K536 WeakPolarHBondContact CA-O 3.29Å
533	V	98.1	Very high	97.1	Very high	16 Å²	16	19.6 Å²	19.6	10%	0.097	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	119.6	169.8	-173.7	0	0	0	0	108.2	D535 K536 Y538 V584 N587 I589 P611	V533-D535 PolarHBondContact O-N 2.93Å; V533-K536 PolarHBondContact N-O 3.33Å; V533-K536 PolarHBondContact O-N 2.81Å; V533-Y538 HydrophobicContact CB-CD2 4.21Å; V533-Y538 HydrophobicContact CB-CE2 3.78Å; V533-Y538 HydrophobicContact CG2-CD2 4.22Å; V533-Y538 HydrophobicContact CG2-CE2 4.23Å; V533-V584 HydrophobicContact CG2-CG1 3.88Å; V533-V584 HydrophobicContact CG2-CG2 3.81Å; V533-N587 HydrophobicContact CG1-CB 4.46Å; V533-I589 HydrophobicContact CG2-CD1 3.86Å; V533-I589 HydrophobicContact CG2-CG1 3.57Å; V533-P611 HydrophobicContact CG1-CG 4.26Å
534	G	96.5	Very high	97	Very high	65 Å²	65	19.8 Å²	19.8	67%	0.67	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.8	-120.4	-172.3	0	0	0	0	0	111.4	Y486	Y486-G534 WeakPolarHBondContact CE2-O 3.5Å
535	D	96.8	Very high	96.8	Very high	80 Å²	80	20.5 Å²	20.5	43%	0.428	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	9.3	-179.2	65.5	-23.1	0	0	0	114.5	Y486 V533 P562	Y486-D535 HydrophobicContact CE2-CB 4.16Å; Y486-D535 WeakPolarHBondContact OH-CB 3.23Å; V533-D535 PolarHBondContact O-N 2.93Å; D535-P562 WeakPolarHBondContact O-CD 3.35Å
536	K	98.5	Very high	96.1	Very high	61 Å²	61	28.6 Å²	28.6	27%	0.265	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	142.1	-174	-67.9	169	-173.7	176.9	0	111.3	T532 V533 Y538 Y559	T532-K536 WeakPolarHBondContact CA-O 3.29Å; V533-K536 PolarHBondContact N-O 3.33Å; V533-K536 PolarHBondContact O-N 2.81Å; K536-Y538 HydrophobicContact CB-CD2 4.27Å; K536-Y538 HydrophobicContact CB-CE2 3.52Å; K536-Y538 WeakPolarHBondContact CD-OH 3.42Å; K536-Y559 HydrophobicContact CB-CD2 3.96Å; K536-Y559 HydrophobicContact CB-CG 4.27Å; K536-Y559 HydrophobicContact CD-CD1 4.42Å; K536-Y559 HydrophobicContact CD-CD2 3.67Å; K536-Y559 HydrophobicContact CD-CE1 4.43Å; K536-Y559 HydrophobicContact CD-CE2 3.67Å; K536-Y559 HydrophobicContact CD-CG 4.06Å; K536-Y559 HydrophobicContact CG-CD2 3.65Å; K536-Y559 HydrophobicContact CG-CE2 3.93Å; K536-Y559 HydrophobicContact CG-CG 4.31Å
537	L	98.7	Very high	95.3	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	112.3	175.9	-46.6	102	0	0	0	109.8	T484 Y491 M530 C531 Y559 Y560 P562	T484-L537 HydrophobicContact CG2-CB 3.99Å; T484-L537 HydrophobicContact CG2-CD2 3.28Å; T484-L537 HydrophobicContact CG2-CG 4.09Å; Y491-L537 HydrophobicContact CD2-CD2 3.6Å; Y491-L537 HydrophobicContact CE2-CD2 4.17Å; Y491-L537 HydrophobicContact CG-CD2 3.94Å; M530-L537 HydrophobicContact CE-CB 3.47Å; M530-L537 VanDerWaalsContact CE-CB 3.47Å; M530-L537 HydrophobicContact CE-CD2 4.18Å; M530-L537 HydrophobicContact CE-CG 4.36Å; C531-L537 CarbonylContact O-C 3.51Å; C531-L537 WeakPolarHBondContact O-CA 3.4Å; L537-Y559 CarbonylContact O-C 3.56Å; L537-Y559 VanDerWaalsContact O-CA 3.25Å; L537-Y559 WeakPolarHBondContact O-CA 3.5Å; L537-Y560 HydrophobicContact CD1-CD1 3.6Å; L537-Y560 HydrophobicContact CD1-CE1 4.31Å; L537-Y560 PolarHBondContact N-O 2.86Å; L537-Y560 PolarHBondContact O-N 2.78Å; L537-P562 HydrophobicContact CD1-CG 3.19Å
538	Y	98.7	Very high	94.1	Very high	6 Å²	6	37.9 Å²	37.9	2%	0.024	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	135.2	-173.8	-67.2	-97.6	0	0	0	110.3	M530 C531 V533 K536 Y559 I570 I589 Y609	M530-Y538 CarbonylContact C-O 3.53Å; M530-Y538 WeakPolarHBondContact CA-O 3.49Å; M530-Y538 VanDerWaalsContact CG-O 3.32Å; M530-Y538 WeakPolarHBondContact CG-O 3.43Å; C531-Y538 PolarHBondContact N-O 3.08Å; C531-Y538 PolarHBondContact O-N 3.04Å; V533-Y538 HydrophobicContact CB-CD2 4.21Å; V533-Y538 HydrophobicContact CB-CE2 3.78Å; V533-Y538 HydrophobicContact CG2-CD2 4.22Å; V533-Y538 HydrophobicContact CG2-CE2 4.23Å; K536-Y538 HydrophobicContact CB-CD2 4.27Å; K536-Y538 HydrophobicContact CB-CE2 3.52Å; K536-Y538 WeakPolarHBondContact CD-OH 3.42Å; Y538-Y559 HydrophobicContact CE1-CD1 4.13Å; Y538-Y559 HydrophobicContact CE1-CG 4.26Å; Y538-I570 HydrophobicContact CD1-CD1 3.8Å; Y538-I570 HydrophobicContact CE1-CD1 4.15Å; Y538-I589 HydrophobicContact CD1-CD1 3.87Å; Y538-I589 HydrophobicContact CD2-CD1 3.81Å; Y538-I589 HydrophobicContact CE1-CD1 4.49Å; Y538-I589 HydrophobicContact CE2-CD1 4.44Å; Y538-I589 HydrophobicContact CG-CD1 3.5Å; Y538-I589 VanDerWaalsContact CG-CD1 3.5Å; Y538-Y609 HydrophobicContact CD1-CE1 4.09Å; Y538-Y609 AromaticContact CE1-CE1 3.72Å; Y538-Y609 HydrophobicContact CE1-CE1 3.72Å
539	V	98.3	Very high	93	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	127.1	171.9	166.6	0	0	0	0	109.8	M521 M530 E558 W567	M521-V539 HydrophobicContact SD-CB 4.19Å; M521-V539 HydrophobicContact SD-CG1 3.66Å; M521-V539 HydrophobicContact SD-CG2 4.01Å; M530-V539 HydrophobicContact CB-CG2 4.18Å; M530-V539 HydrophobicContact CE-CG2 4.26Å; M530-V539 HydrophobicContact CG-CG2 3.7Å; M530-V539 HydrophobicContact SD-CG2 3.96Å; V539-E558 PolarHBondContact N-O 2.88Å; V539-E558 PolarHBondContact O-N 3.16Å; V539-W567 HydrophobicContact CB-CH2 4.16Å; V539-W567 HydrophobicContact CB-CZ3 3.87Å; V539-W567 HydrophobicContact CG2-CH2 3.39Å; V539-W567 HydrophobicContact CG2-CZ3 3.59Å
540	I	97.8	Very high	92.4	Very high	1 Å²	1	45 Å²	45	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	133.5	-166	-63.4	160	0	0	0	110	C529 C557 M573 I589 V591 W616	C529-I540 PolarHBondContact N-O 2.77Å; C529-I540 PolarHBondContact O-N 2.84Å; C529-I540 PolarHBondContact SG-O 2.83Å; C529-I540 VanDerWaalsContact SG-O 3.37Å; I540-C557 HydrophobicContact CG1-CB 4.43Å; I540-M573 HydrophobicContact CG2-CE 3.82Å; I540-M573 HydrophobicContact CG2-CG 4.07Å; I540-M573 HydrophobicContact CG2-SD 3.49Å; I540-M573 WeakPolarHBondContact CG2-SD 3.44Å; I540-I589 HydrophobicContact CD1-CB 4.4Å; I540-I589 HydrophobicContact CD1-CD1 3.92Å; I540-I589 HydrophobicContact CD1-CG2 3.65Å; I540-V591 HydrophobicContact CG2-CG2 3.84Å; I540-W616 HydrophobicContact CD1-CH2 4.08Å; I540-W616 HydrophobicContact CD1-CZ2 4.3Å; I540-W616 HydrophobicContact CG1-CH2 4.36Å; I540-W616 HydrophobicContact CG1-CZ2 4.24Å; I540-W616 HydrophobicContact CG2-CH2 3.67Å; I540-W616 HydrophobicContact CG2-CZ2 3.93Å
541	G	96.4	Very high	92	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.01	28%	0.282	C	S	.	.			trans	69.6	-152.2	171.3	0	0	0	0	0	114	R525 H528 V554 M573	R525-G541 PolarHBondContact NH1-O 3.12Å; H528-G541 WeakPolarHBondContact CB-O 3.45Å; G541-V554 WeakPolarHBondContact CA-O 3.36Å; G541-M573 WeakPolarHBondContact CA-SD 3.43Å; G541-M573 PolarHBondContact N-SD 2.86Å
542	G	96.3	Very high	91.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	29%	0.287	C	S	.	.			trans	89.4	-166.8	-172.9	0	0	0	0	0	113	G526 V554 Q577 S578	G526-G542 CarbonylContact O-C 3.58Å; G526-G542 WeakPolarHBondContact O-CA 3.34Å; G542-V554 PolarHBondContact O-N 2.89Å; G542-Q577 PolarHBondContact N-O 3.49Å; G542-S578 WeakPolarHBondContact CA-OG 3.48Å; G542-S578 PolarHBondContact O-OG 3.25Å
543	N	95.3	Very high	91.6	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	167.1	-179.1	66.2	1.4	0	0	0	112.1	F501 R525 G526 Y551 D552 S578 W597	F501-N543 WeakPolarHBondContact CD1-O 3.26Å; F501-N543 WeakPolarHBondContact CE1-O 3.19Å; F501-N543 VanDerWaalsContact CE1-OD1 3.25Å; F501-N543 WeakPolarHBondContact CE1-OD1 3.41Å; R525-N543 WeakPolarHBondContact CA-O 3.01Å; G526-N543 PolarHBondContact N-O 3.39Å; G526-N543 PolarHBondContact O-N 2.8Å; G526-N543 PolarHBondContact O-OD1 3.09Å; G526-N543 VanDerWaalsContact O-OD1 3.04Å; N543-Y551 HydrophobicContact CB-CD1 4.48Å; N543-Y551 VanDerWaalsContact ND2-CD1 3.28Å; N543-Y551 WeakPolarHBondContact ND2-CD1 3.46Å; N543-D552 WeakPolarHBondContact CA-O 3.31Å; N543-D552 WeakPolarHBondContact CB-O 3.44Å; N543-S578 PolarHBondContact N-OG 3.1Å; N543-W597 HydrophobicContact CB-CG 4.21Å; N543-W597 WeakPolarHBondContact ND2-CZ2 3.29Å; N543-W597 PolarHBondContact ND2-NE1 3.21Å
544	H	94.1	Very high	91.5	Very high	43 Å²	43	48.5 Å²	48.5	20%	0.199	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	-177.1	165.6	64.9	99.8	0	0	0	109.8	F501 V524 Y551 D552 V554	F501-H544 HydrophobicContact CD1-CB 4.48Å; F501-H544 HydrophobicContact CD2-CB 4.23Å; F501-H544 HydrophobicContact CE2-CB 4.46Å; F501-H544 HydrophobicContact CG-CB 4.22Å; V524-H544 HydrophobicContact CG2-CB 4.17Å; H544-Y551 CarbonylContact O-C 3.6Å; H544-Y551 WeakPolarHBondContact O-CA 3.19Å; H544-D552 PolarHBondContact N-O 2.84Å; H544-D552 VanDerWaalsContact N-O 3.09Å; H544-D552 PolarHBondContact O-N 2.93Å; H544-V554 VanDerWaalsContact CD2-CG2 3.41Å; H544-V554 WeakPolarHBondContact CD2-CG2 3.36Å
545	F	90.8	Very high	91.4	Very high	68 Å²	68	48.7 Å²	48.7	30%	0.298	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	134.7	170.5	-64.1	-52.2	0	0	0	112.1	F501 D550 Y551	F501-F545 AromaticContact CD2-CD2 3.72Å; F501-F545 HydrophobicContact CD2-CD2 3.72Å; F501-F545 AromaticContact CD2-CE2 3.92Å; F501-F545 HydrophobicContact CD2-CE2 3.92Å; F501-F545 HydrophobicContact CD2-CG 4.26Å; F501-F545 HydrophobicContact CE2-CD1 4.07Å; F501-F545 AromaticContact CE2-CD2 3.57Å; F501-F545 HydrophobicContact CE2-CD2 3.57Å; F501-F545 HydrophobicContact CE2-CE1 4.08Å; F501-F545 AromaticContact CE2-CE2 3.58Å; F501-F545 HydrophobicContact CE2-CE2 3.58Å; F501-F545 AromaticContact CE2-CG 3.81Å; F501-F545 HydrophobicContact CE2-CG 3.81Å; F501-F545 AromaticContact CE2-CZ 3.84Å; F501-F545 HydrophobicContact CE2-CZ 3.84Å; F545-D550 CarbonylContact C-O 3.6Å; F545-D550 WeakPolarHBondContact CA-O 3.48Å; F545-Y551 HydrophobicContact CD1-CD1 4.38Å; F545-Y551 HydrophobicContact CD1-CE1 4.39Å; F545-Y551 HydrophobicContact CE1-CD1 4.19Å; F545-Y551 HydrophobicContact CE1-CD2 4.37Å; F545-Y551 AromaticContact CE1-CE1 3.78Å; F545-Y551 HydrophobicContact CE1-CE1 3.78Å; F545-Y551 AromaticContact CE1-CE2 3.94Å; F545-Y551 HydrophobicContact CE1-CE2 3.94Å; F545-Y551 HydrophobicContact CE1-CG 4.49Å; F545-Y551 AromaticContact CE1-CZ 3.63Å; F545-Y551 HydrophobicContact CZ-CE1 4.41Å
546	R	82.4	Confident	91.5	Very high	171 Å²	171	47.4 Å²	47.4	65%	0.645	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.2	109.8	159	177.3	174.9	-177.5	178.7	1.8	108.5	D550 D552	R546-D550 PolarHBondContact N-O 2.87Å; R546-D552 HydrophobicContact CB-CB 3.76Å
547	G	78.3	Confident	91.4	Very high	72 Å²	72	44.7 Å²	44.7	74%	0.742	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.4	-135.7	-172.6	0	0	0	0	0	111.5
548	T	70.8	Confident	91.4	Very high	141 Å²	141	44.9 Å²	44.9	87%	0.865	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-20.8	-171.4	46.6	0	0	0	0	115.3
549	S	73.6	Confident	91.4	Very high	75 Å²	75	46.7 Å²	46.7	52%	0.524	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-159.2	-11.5	-173	56.8	0	0	0	0	116.8
550	D	84.6	Confident	91.4	Very high	98 Å²	98	46.7 Å²	46.7	52%	0.524	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	131.3	179.6	-74.3	-33.6	0	0	0	109.8	F545 R546	F545-D550 CarbonylContact C-O 3.6Å; F545-D550 WeakPolarHBondContact CA-O 3.48Å; R546-D550 PolarHBondContact N-O 2.87Å
551	Y	88.8	Confident	91.4	Very high	93 Å²	93	47.2 Å²	47.2	37%	0.365	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	141	175.6	-70.9	-91.3	0	0	0	110.8	F501 N543 H544 F545 W597	F501-Y551 HydrophobicContact CE2-CE1 4.4Å; F501-Y551 HydrophobicContact CZ-CD1 4.2Å; F501-Y551 AromaticContact CZ-CE1 3.89Å; F501-Y551 HydrophobicContact CZ-CE1 3.89Å; N543-Y551 HydrophobicContact CB-CD1 4.48Å; N543-Y551 VanDerWaalsContact ND2-CD1 3.28Å; N543-Y551 WeakPolarHBondContact ND2-CD1 3.46Å; H544-Y551 CarbonylContact O-C 3.6Å; H544-Y551 WeakPolarHBondContact O-CA 3.19Å; F545-Y551 HydrophobicContact CD1-CD1 4.38Å; F545-Y551 HydrophobicContact CD1-CE1 4.39Å; F545-Y551 HydrophobicContact CE1-CD1 4.19Å; F545-Y551 HydrophobicContact CE1-CD2 4.37Å; F545-Y551 AromaticContact CE1-CE1 3.78Å; F545-Y551 HydrophobicContact CE1-CE1 3.78Å; F545-Y551 AromaticContact CE1-CE2 3.94Å; F545-Y551 HydrophobicContact CE1-CE2 3.94Å; F545-Y551 HydrophobicContact CE1-CG 4.49Å; F545-Y551 AromaticContact CE1-CZ 3.63Å; F545-Y551 HydrophobicContact CZ-CE1 4.41Å; Y551-W597 HydrophobicContact CD1-CD2 4.31Å; Y551-W597 HydrophobicContact CD1-CE3 4.21Å; Y551-W597 HydrophobicContact CD1-CH2 4.16Å; Y551-W597 HydrophobicContact CD1-CZ2 4.32Å; Y551-W597 HydrophobicContact CD1-CZ3 4.12Å; Y551-W597 AromaticContact CD2-CE3 3.8Å; Y551-W597 HydrophobicContact CD2-CE3 3.8Å; Y551-W597 HydrophobicContact CD2-CH2 4.09Å; Y551-W597 AromaticContact CD2-CZ3 3.45Å; Y551-W597 HydrophobicContact CD2-CZ3 3.45Å; Y551-W597 VanDerWaalsContact CD2-CZ3 3.45Å; Y551-W597 HydrophobicContact CE1-CH2 4.25Å; Y551-W597 HydrophobicContact CE2-CH2 4.21Å; Y551-W597 AromaticContact CE2-CZ3 3.94Å; Y551-W597 HydrophobicContact CE2-CZ3 3.94Å; Y551-W597 AromaticContact CG-CD2 3.97Å; Y551-W597 HydrophobicContact CG-CD2 3.97Å; Y551-W597 AromaticContact CG-CE3 3.51Å; Y551-W597 HydrophobicContact CG-CE3 3.51Å; Y551-W597 HydrophobicContact CG-CH2 4.06Å; Y551-W597 AromaticContact CG-CZ3 3.55Å; Y551-W597 HydrophobicContact CG-CZ3 3.55Å
552	D	93.1	Very high	91.5	Very high	32 Å²	32	48.4 Å²	48.4	17%	0.171	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	144.7	175.6	-166.2	11.4	0	0	0	110.3	N543 H544 R546 N598	N543-D552 WeakPolarHBondContact CA-O 3.31Å; N543-D552 WeakPolarHBondContact CB-O 3.44Å; H544-D552 PolarHBondContact N-O 2.84Å; H544-D552 VanDerWaalsContact N-O 3.09Å; H544-D552 PolarHBondContact O-N 2.93Å; R546-D552 HydrophobicContact CB-CB 3.76Å; D552-N598 PolarHBondContact OD1-ND2 3.34Å; D552-N598 PolarHBondContact OD1-OD1 2.76Å
553	D	94.8	Very high	91.6	Very high	9 Å²	9	53.5 Å²	53.5	5%	0.048	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	132.5	-179.3	-73.2	-46.1	0	0	0	110.4	L555 S596 W597 N598	D553-L555 PolarHBondContact O-N 2.72Å; D553-S596 PolarHBondContact OD2-OG 2.84Å; D553-W597 VanDerWaalsContact CG-N 3.34Å; D553-W597 WeakPolarHBondContact OD1-CB 3.5Å; D553-W597 PolarHBondContact OD1-N 2.77Å; D553-W597 PolarHBondContact OD2-N 2.89Å; D553-W597 VanDerWaalsContact OD2-N 3.11Å; D553-N598 WeakPolarHBondContact OD2-CB 3.5Å; D553-N598 PolarHBondContact OD2-N 3.21Å
554	V	96.3	Very high	91.7	Very high	3 Å²	3	59.3 Å²	59.3	2%	0.018	33%	0.329	C	S	.	.			trans	-85.1	102.9	173.1	-174.7	0	0	0	0	109.7	T523 R525 G541 G542 H544 S556	T523-V554 HydrophobicContact CG2-CG1 4.27Å; R525-V554 HydrophobicContact CB-CG2 4.01Å; R525-V554 VanDerWaalsContact NH1-CG1 3.32Å; G541-V554 WeakPolarHBondContact CA-O 3.36Å; G542-V554 PolarHBondContact O-N 2.89Å; H544-V554 VanDerWaalsContact CD2-CG2 3.41Å; H544-V554 WeakPolarHBondContact CD2-CG2 3.36Å; V554-S556 WeakPolarHBondContact CG1-OG 3.44Å
555	L	96	Very high	91.9	Very high	68 Å²	68	60.6 Å²	60.6	36%	0.356	34%	0.337	S	S	.	.			trans	-83.2	-29.1	174.8	-58.2	-178.9	0	0	0	113	D553 C557 A572 M573 G576	D553-L555 PolarHBondContact O-N 2.72Å; L555-C557 PolarHBondContact O-N 3.04Å; L555-C557 PolarHBondContact O-SG 2.96Å; L555-A572 HydrophobicContact CB-CB 4.3Å; L555-A572 VanDerWaalsContact O-CA 3.29Å; L555-A572 WeakPolarHBondContact O-CA 3.49Å; L555-A572 WeakPolarHBondContact O-CB 3.45Å; L555-M573 HydrophobicContact CD2-CB 4.36Å; L555-M573 PolarHBondContact O-N 3.09Å; L555-G576 VanDerWaalsContact CD2-CA 3.46Å
556	S	96.8	Very high	92.3	Very high	53 Å²	53	62.7 Å²	62.7	37%	0.371	35%	0.347	S	S	.	.			trans	-65.6	124.4	-178.6	57	0	0	0	0	111.1	R525 V554	R525-S556 PolarHBondContact NH1-O 2.83Å; R525-S556 PolarHBondContact NH2-O 3.03Å; V554-S556 WeakPolarHBondContact CG1-OG 3.44Å
557	C	97.9	Very high	93	Very high	4 Å²	4	55.5 Å²	55.5	3%	0.027	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	152.5	175.7	-63.1	0	0	0	0	109.9	I540 L555 I570 M573	I540-C557 HydrophobicContact CG1-CB 4.43Å; L555-C557 PolarHBondContact O-N 3.04Å; L555-C557 PolarHBondContact O-SG 2.96Å; C557-I570 HydrophobicContact CB-CD1 3.64Å; C557-I570 HydrophobicContact CB-CG1 3.56Å; C557-I570 WeakPolarHBondContact O-CG1 3.44Å; C557-I570 PolarHBondContact O-N 3.49Å; C557-M573 WeakPolarHBondContact SG-CG 3.42Å
558	E	98.3	Very high	94	Very high	5 Å²	5	54.2 Å²	54.2	2%	0.023	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	152.2	179.5	51.3	-168.8	166.7	0	0	109.1	M521 T522 R525 V539 W567 T568	M521-E558 VanDerWaalsContact CB-OE1 3.23Å; M521-E558 WeakPolarHBondContact CB-OE1 3.46Å; T522-E558 VanDerWaalsContact CB-OE2 3.28Å; T522-E558 WeakPolarHBondContact CB-OE2 3.48Å; T522-E558 PolarHBondContact N-OE1 3.48Å; T522-E558 PolarHBondContact N-OE2 3.26Å; T522-E558 PolarHBondContact OG1-OE2 2.87Å; R525-E558 IonicContact CZ-OE1 3.25Å; R525-E558 IonicContact NH2-OE1 2.86Å; R525-E558 PolarHBondContact NH2-OE1 3.15Å; V539-E558 PolarHBondContact N-O 2.88Å; V539-E558 PolarHBondContact O-N 3.16Å; E558-W567 HydrophobicContact CB-CE3 4Å; E558-W567 HydrophobicContact CG-CD2 4.38Å; E558-W567 HydrophobicContact CG-CE3 3.54Å; E558-W567 HydrophobicContact CG-CZ3 3.99Å; E558-T568 CarbonylContact C-O 3.51Å; E558-T568 VanDerWaalsContact CA-O 3.22Å; E558-T568 WeakPolarHBondContact CA-O 3.24Å; E558-T568 WeakPolarHBondContact CB-O 3.18Å
559	Y	98.6	Very high	95.3	Very high	43 Å²	43	52.3 Å²	52.3	17%	0.169	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	148.2	167.3	71.8	-97.8	0	0	0	110.7	K536 L537 Y538 W567 T568 I570	K536-Y559 HydrophobicContact CB-CD2 3.96Å; K536-Y559 HydrophobicContact CB-CG 4.27Å; K536-Y559 HydrophobicContact CD-CD1 4.42Å; K536-Y559 HydrophobicContact CD-CD2 3.67Å; K536-Y559 HydrophobicContact CD-CE1 4.43Å; K536-Y559 HydrophobicContact CD-CE2 3.67Å; K536-Y559 HydrophobicContact CD-CG 4.06Å; K536-Y559 HydrophobicContact CG-CD2 3.65Å; K536-Y559 HydrophobicContact CG-CE2 3.93Å; K536-Y559 HydrophobicContact CG-CG 4.31Å; L537-Y559 CarbonylContact O-C 3.56Å; L537-Y559 VanDerWaalsContact O-CA 3.25Å; L537-Y559 WeakPolarHBondContact O-CA 3.5Å; Y538-Y559 HydrophobicContact CE1-CD1 4.13Å; Y538-Y559 HydrophobicContact CE1-CG 4.26Å; Y559-W567 VanDerWaalsContact C-CE3 3.48Å; Y559-W567 CarbonylContact O-C 3.49Å; Y559-W567 WeakPolarHBondContact O-CA 3.49Å; Y559-T568 HydrophobicContact CE1-CG2 3.85Å; Y559-T568 VanDerWaalsContact CZ-CB 3.5Å; Y559-T568 PolarHBondContact N-O 2.93Å; Y559-T568 PolarHBondContact O-N 2.87Å; Y559-I570 HydrophobicContact CD1-CG2 3.49Å; Y559-I570 VanDerWaalsContact CD1-CG2 3.49Å; Y559-I570 HydrophobicContact CE1-CG2 3.76Å
560	Y	98.8	Very high	96.5	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	136	173.4	176.5	-101.2	0	0	0	110.2	Y491 L505 A519 L537 P562 D565 Q566 W567	Y491-Y560 HydrophobicContact CD1-CE1 4.42Å; Y491-Y560 HydrophobicContact CE1-CE1 4.07Å; L505-Y560 HydrophobicContact CD2-CD1 3.8Å; L505-Y560 HydrophobicContact CD2-CD2 3.69Å; L505-Y560 HydrophobicContact CD2-CE1 3.73Å; L505-Y560 HydrophobicContact CD2-CE2 3.62Å; L505-Y560 HydrophobicContact CD2-CG 3.77Å; A519-Y560 HydrophobicContact CB-CE2 4.35Å; L537-Y560 HydrophobicContact CD1-CD1 3.6Å; L537-Y560 HydrophobicContact CD1-CE1 4.31Å; L537-Y560 PolarHBondContact N-O 2.86Å; L537-Y560 PolarHBondContact O-N 2.78Å; Y560-P562 HydrophobicContact CD1-CG 4.09Å; Y560-P562 VanDerWaalsContact CE1-CA 3.49Å; Y560-P562 HydrophobicContact CE1-CB 4.14Å; Y560-P562 HydrophobicContact CE1-CG 3.96Å; Y560-D565 WeakPolarHBondContact CE2-OD1 3.44Å; Y560-D565 WeakPolarHBondContact OH-CA 3.2Å; Y560-D565 PolarHBondContact OH-OD1 2.86Å; Y560-Q566 WeakPolarHBondContact CA-O 3.25Å; Y560-W567 AromaticContact CD2-CD1 3.9Å; Y560-W567 HydrophobicContact CD2-CD2 4.12Å; Y560-W567 AromaticContact CD2-CE2 3.77Å; Y560-W567 HydrophobicContact CD2-CG 4.23Å; Y560-W567 HydrophobicContact CD2-CZ2 4.27Å; Y560-W567 AromaticContact CD2-NE1 3.59Å; Y560-W567 HydrophobicContact CG-CD2 4.37Å; Y560-W567 HydrophobicContact CG-CZ2 4.19Å
561	S	98.4	Very high	97.1	Very high	12 Å²	12	46.5 Å²	46.5	8%	0.084	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	110.3	170.9	174.5	0	0	0	0	109.4	T563 L564 D565 Q566	S561-T563 PolarHBondContact O-N 2.83Å; S561-T563 PolarHBondContact OG-OG1 2.66Å; S561-L564 PolarHBondContact O-N 3.19Å; S561-D565 PolarHBondContact O-N 2.86Å; S561-Q566 PolarHBondContact N-O 3.33Å
562	P	97.9	Very high	97.5	Very high	26 Å²	26	44.7 Å²	44.7	17%	0.169	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-31.8	178.4	-28.9	39.2	0	0	0	114.4	Y486 D535 L537 Y560	Y486-P562 HydrophobicContact CD1-CB 4.12Å; Y486-P562 HydrophobicContact CD1-CG 3.62Å; Y486-P562 HydrophobicContact CE1-CB 4.1Å; Y486-P562 HydrophobicContact CE1-CG 3.85Å; Y486-P562 HydrophobicContact CG-CG 4.48Å; D535-P562 WeakPolarHBondContact O-CD 3.35Å; L537-P562 HydrophobicContact CD1-CG 3.19Å; Y560-P562 HydrophobicContact CD1-CG 4.09Å; Y560-P562 VanDerWaalsContact CE1-CA 3.49Å; Y560-P562 HydrophobicContact CE1-CB 4.14Å; Y560-P562 HydrophobicContact CE1-CG 3.96Å
563	T	97.4	Very high	97.7	Very high	108 Å²	108	43.5 Å²	43.5	66%	0.663	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-32.3	179.7	49	0	0	0	0	112.4	S561	S561-T563 PolarHBondContact O-N 2.83Å; S561-T563 PolarHBondContact OG-OG1 2.66Å
564	L	97.9	Very high	97.6	Very high	122 Å²	122	48 Å²	48	64%	0.639	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	-12.1	-177.6	-60.1	177.8	0	0	0	113.2	S561 Q566	S561-L564 PolarHBondContact O-N 3.19Å; L564-Q566 VanDerWaalsContact C-N 3.27Å; L564-Q566 HydrophobicContact CB-CB 4.16Å; L564-Q566 PolarHBondContact O-N 2.92Å
565	D	98.4	Very high	97.3	Very high	70 Å²	70	51.1 Å²	51.1	37%	0.374	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	48.8	-171.1	-164.8	14.4	0	0	0	111.6	A519 Y560 S561	A519-D565 WeakPolarHBondContact CB-O 3.2Å; A519-D565 VanDerWaalsContact CB-OD1 3.29Å; A519-D565 WeakPolarHBondContact CB-OD1 3.15Å; A519-D565 PolarHBondContact N-OD1 2.78Å; Y560-D565 WeakPolarHBondContact CE2-OD1 3.44Å; Y560-D565 WeakPolarHBondContact OH-CA 3.2Å; Y560-D565 PolarHBondContact OH-OD1 2.86Å; S561-D565 PolarHBondContact O-N 2.86Å
566	Q	98.4	Very high	97	Very high	111 Å²	111	48 Å²	48	52%	0.519	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	141.4	-172.7	-174.8	177.5	-3.1	0	0	112.3	Y560 S561 L564	Y560-Q566 WeakPolarHBondContact CA-O 3.25Å; S561-Q566 PolarHBondContact N-O 3.33Å; L564-Q566 VanDerWaalsContact C-N 3.27Å; L564-Q566 HydrophobicContact CB-CB 4.16Å; L564-Q566 PolarHBondContact O-N 2.92Å
567	W	98.6	Very high	96.9	Very high	20 Å²	20	45.5 Å²	45.5	8%	0.076	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	139.4	169.8	-67	90.7	0	0	0	111.8	L505 A519 P520 M521 M530 V539 E558 Y559 Y560	L505-W567 HydrophobicContact CB-CZ2 4.34Å; L505-W567 HydrophobicContact CD1-CZ2 4.17Å; L505-W567 HydrophobicContact CD2-CZ2 3.81Å; L505-W567 HydrophobicContact CG-CZ2 4.33Å; A519-W567 PolarHBondContact O-NE1 3Å; P520-W567 PolarHBondContact O-NE1 3.01Å; M521-W567 HydrophobicContact CG-CD2 4.08Å; M521-W567 HydrophobicContact CG-CE3 4.35Å; M521-W567 HydrophobicContact CG-CH2 3.76Å; M521-W567 HydrophobicContact CG-CZ2 3.39Å; M521-W567 HydrophobicContact CG-CZ3 4.22Å; M521-W567 HydrophobicContact SD-CH2 4.25Å; M521-W567 HydrophobicContact SD-CZ2 4.36Å; M530-W567 HydrophobicContact CE-CH2 4.23Å; V539-W567 HydrophobicContact CB-CH2 4.16Å; V539-W567 HydrophobicContact CB-CZ3 3.87Å; V539-W567 HydrophobicContact CG2-CH2 3.39Å; V539-W567 HydrophobicContact CG2-CZ3 3.59Å; E558-W567 HydrophobicContact CB-CE3 4Å; E558-W567 HydrophobicContact CG-CD2 4.38Å; E558-W567 HydrophobicContact CG-CE3 3.54Å; E558-W567 HydrophobicContact CG-CZ3 3.99Å; Y559-W567 VanDerWaalsContact C-CE3 3.48Å; Y559-W567 CarbonylContact O-C 3.49Å; Y559-W567 WeakPolarHBondContact O-CA 3.49Å; Y560-W567 AromaticContact CD2-CD1 3.9Å; Y560-W567 HydrophobicContact CD2-CD2 4.12Å; Y560-W567 AromaticContact CD2-CE2 3.77Å; Y560-W567 HydrophobicContact CD2-CG 4.23Å; Y560-W567 HydrophobicContact CD2-CZ2 4.27Å; Y560-W567 AromaticContact CD2-NE1 3.59Å; Y560-W567 HydrophobicContact CG-CD2 4.37Å; Y560-W567 HydrophobicContact CG-CZ2 4.19Å
568	T	98.4	Very high	96.6	Very high	45 Å²	45	45.3 Å²	45.3	28%	0.276	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	128.3	176.2	-56.8	0	0	0	0	109.6	E558 Y559	E558-T568 CarbonylContact C-O 3.51Å; E558-T568 VanDerWaalsContact CA-O 3.22Å; E558-T568 WeakPolarHBondContact CA-O 3.24Å; E558-T568 WeakPolarHBondContact CB-O 3.18Å; Y559-T568 HydrophobicContact CE1-CG2 3.85Å; Y559-T568 VanDerWaalsContact CZ-CB 3.5Å; Y559-T568 PolarHBondContact N-O 2.93Å; Y559-T568 PolarHBondContact O-N 2.87Å
569	P	98.3	Very high	96.2	Very high	101 Å²	101	46.4 Å²	46.4	66%	0.656	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.1	148.5	176.9	29.4	-34.9	0	0	0	111.3
570	I	98.3	Very high	96	Very high	23 Å²	23	44.8 Å²	44.8	12%	0.118	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	176.6	175.6	51.7	159.9	0	0	0	110.3	Y538 C557 Y559 A572 Y609 D614	Y538-I570 HydrophobicContact CD1-CD1 3.8Å; Y538-I570 HydrophobicContact CE1-CD1 4.15Å; C557-I570 HydrophobicContact CB-CD1 3.64Å; C557-I570 HydrophobicContact CB-CG1 3.56Å; C557-I570 WeakPolarHBondContact O-CG1 3.44Å; C557-I570 PolarHBondContact O-N 3.49Å; Y559-I570 HydrophobicContact CD1-CG2 3.49Å; Y559-I570 VanDerWaalsContact CD1-CG2 3.49Å; Y559-I570 HydrophobicContact CE1-CG2 3.76Å; I570-A572 PolarHBondContact O-N 2.66Å; I570-Y609 WeakPolarHBondContact CB-OH 3.38Å; I570-Y609 HydrophobicContact CD1-CE1 3.85Å; I570-Y609 HydrophobicContact CD1-CE2 4.06Å; I570-Y609 WeakPolarHBondContact CG2-OH 3.26Å; I570-D614 VanDerWaalsContact CB-OD1 3.27Å; I570-D614 WeakPolarHBondContact CB-OD1 3.47Å
571	A	98.1	Very high	95.8	Very high	29 Å²	29	44.8 Å²	44.8	24%	0.24	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-51.2	134.9	177.3	0	0	0	0	0	112.2	Y609 D614 W616	A571-Y609 HydrophobicContact CB-CE2 4.38Å; A571-D614 WeakPolarHBondContact CB-O 3.2Å; A571-D614 WeakPolarHBondContact CB-OD1 3.35Å; A571-D614 PolarHBondContact N-OD1 3.49Å; A571-D614 PolarHBondContact N-OD2 3.13Å; A571-W616 PolarHBondContact O-NE1 2.95Å
572	A	97.5	Very high	95.7	Very high	55 Å²	55	45.8 Å²	45.8	46%	0.455	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-72.3	150.2	179.2	0	0	0	0	0	111.5	L555 I570	L555-A572 HydrophobicContact CB-CB 4.3Å; L555-A572 VanDerWaalsContact O-CA 3.29Å; L555-A572 WeakPolarHBondContact O-CA 3.49Å; L555-A572 WeakPolarHBondContact O-CB 3.45Å; I570-A572 PolarHBondContact O-N 2.66Å
573	M	95.9	Very high	95.7	Very high	7 Å²	7	44.8 Å²	44.8	3%	0.034	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-59.8	149.5	175.7	-58.5	-178.4	73.6	0	0	111.3	I540 G541 L555 C557 R575 Q577 V591 W616	I540-M573 HydrophobicContact CG2-CE 3.82Å; I540-M573 HydrophobicContact CG2-CG 4.07Å; I540-M573 HydrophobicContact CG2-SD 3.49Å; I540-M573 WeakPolarHBondContact CG2-SD 3.44Å; G541-M573 WeakPolarHBondContact CA-SD 3.43Å; G541-M573 PolarHBondContact N-SD 2.86Å; L555-M573 HydrophobicContact CD2-CB 4.36Å; L555-M573 PolarHBondContact O-N 3.09Å; C557-M573 WeakPolarHBondContact SG-CG 3.42Å; M573-R575 VanDerWaalsContact C-N 3.3Å; M573-R575 PolarHBondContact O-N 3.27Å; M573-Q577 HydrophobicContact CE-CB 4.18Å; M573-Q577 HydrophobicContact CE-CG 4.22Å; M573-V591 HydrophobicContact CE-CB 4.39Å; M573-V591 HydrophobicContact CE-CG1 4Å; M573-V591 HydrophobicContact CE-CG2 4.34Å; M573-W616 HydrophobicContact CE-CH2 4.48Å; M573-W616 HydrophobicContact CG-CH2 4.28Å; M573-W616 HydrophobicContact CG-CZ2 3.89Å
574	L	93.4	Very high	95.7	Very high	102 Å²	102	41.8 Å²	41.8	53%	0.534	24%	0.235	S	C	.	.	S	Bend	trans	-69.9	-32.7	175.5	-52	172.1	0	0	0	111.4	Q607 W616	L574-Q607 VanDerWaalsContact CB-OE1 3.22Å; L574-W616 HydrophobicContact CD1-CB 4.23Å; L574-W616 HydrophobicContact CD2-CB 4.04Å; L574-W616 HydrophobicContact CG-CB 3.78Å
575	R	90.8	Very high	95.5	Very high	69 Å²	69	36.8 Å²	36.8	26%	0.26	21%	0.208	S	C	.	.	S	Bend	trans	-143.1	143.2	178.7	-168.2	169.9	-179.3	-177.2	-4.3	110.6	M573 N599 V603 Q607	M573-R575 VanDerWaalsContact C-N 3.3Å; M573-R575 PolarHBondContact O-N 3.27Å; R575-N599 PolarHBondContact NE-ND2 3Å; R575-N599 PolarHBondContact NH2-ND2 3.09Å; R575-N599 VanDerWaalsContact NH2-ND2 3.11Å; R575-V603 VanDerWaalsContact CZ-CG1 3.44Å; R575-V603 VanDerWaalsContact NH2-CG1 3.32Å; R575-Q607 PolarHBondContact O-NE2 2.86Å
576	G	89.6	Confident	95.2	Very high	3 Å²	3	40 Å²	40	3%	0.031	22%	0.22	C	C	.	.			trans	-66.1	129.5	176	0	0	0	0	0	111.7	L555 S596	L555-G576 VanDerWaalsContact CD2-CA 3.46Å; G576-S596 WeakPolarHBondContact O-CB 3.2Å
577	Q	93.1	Very high	95.1	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	23%	0.226	C	C	.	.			trans	-138.6	122.7	175.1	-55.4	177.3	-87.4	0	0	109.7	G542 M573 V580 V591 G593 V603 I605	G542-Q577 PolarHBondContact N-O 3.49Å; M573-Q577 HydrophobicContact CE-CB 4.18Å; M573-Q577 HydrophobicContact CE-CG 4.22Å; Q577-V580 HydrophobicContact CB-CG1 3.24Å; Q577-V580 HydrophobicContact CG-CG1 4.33Å; Q577-V591 HydrophobicContact CB-CG1 4.41Å; Q577-G593 PolarHBondContact NE2-O 3.11Å; Q577-V603 HydrophobicContact CG-CG2 4.08Å; Q577-I605 HydrophobicContact CG-CG2 4.46Å; Q577-I605 PolarHBondContact NE2-O 2.72Å; Q577-I605 VanDerWaalsContact NE2-O 3.16Å
578	S	93.1	Very high	95	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-108.4	161.4	165.1	-62.5	0	0	0	0	109.9	L527 G542 N543 V580 G594 Y595 W597	L527-S578 WeakPolarHBondContact O-CA 3.31Å; G542-S578 WeakPolarHBondContact CA-OG 3.48Å; G542-S578 PolarHBondContact O-OG 3.25Å; N543-S578 PolarHBondContact N-OG 3.1Å; S578-V580 VanDerWaalsContact C-N 3.28Å; S578-V580 PolarHBondContact O-N 2.91Å; S578-G594 CarbonylContact O-C 3.44Å; S578-G594 WeakPolarHBondContact O-CA 3.38Å; S578-Y595 PolarHBondContact N-O 3.49Å; S578-Y595 PolarHBondContact O-N 2.8Å; S578-W597 VanDerWaalsContact OG-CD1 3.29Å; S578-W597 PolarHBondContact OG-NE1 2.78Å; S578-W597 VanDerWaalsContact OG-NE1 3.15Å
579	D	90.1	Very high	95	Very high	27 Å²	27	39.9 Å²	39.9	14%	0.144	22%	0.221	C	C	.	.	S	Bend	trans	56	43.2	176.5	-71.7	-37	0	0	0	113.1	Q381 L527 G628	Q381-D579 PolarHBondContact NE2-OD1 3.16Å; Q381-D579 PolarHBondContact NE2-OD2 2.81Å; Q381-D579 VanDerWaalsContact NE2-OD2 3.13Å; L527-D579 WeakPolarHBondContact CD2-OD1 3.45Å; L527-D579 PolarHBondContact O-N 3.13Å; D579-G628 VanDerWaalsContact O-CA 3.24Å; D579-G628 WeakPolarHBondContact O-CA 3.43Å; D579-G628 PolarHBondContact O-N 3.13Å
580	V	92.9	Very high	95	Very high	10 Å²	10	36 Å²	36	6%	0.061	19%	0.193	C	C	.	.			trans	-89.1	160.6	-174.1	-60.8	0	0	0	0	113	C529 Q577 S578 V591 I629 R630	C529-V580 HydrophobicContact CB-CG2 3.6Å; Q577-V580 HydrophobicContact CB-CG1 3.24Å; Q577-V580 HydrophobicContact CG-CG1 4.33Å; S578-V580 VanDerWaalsContact C-N 3.28Å; S578-V580 PolarHBondContact O-N 2.91Å; V580-V591 HydrophobicContact CB-CG1 3.72Å; V580-V591 HydrophobicContact CG1-CG1 3.66Å; V580-V591 HydrophobicContact CG2-CG1 3.85Å; V580-I629 CarbonylContact C-O 3.52Å; V580-I629 VanDerWaalsContact C-O 3.25Å; V580-R630 PolarHBondContact O-NH1 2.93Å
581	G	94.8	Very high	94.9	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	137.5	154.5	0	0	0	0	0	109.7	V591 V592 I629	G581-V591 WeakPolarHBondContact O-CA 3.41Å; G581-V592 PolarHBondContact N-O 3Å; G581-V592 PolarHBondContact O-N 3.1Å; G581-I629 WeakPolarHBondContact CA-O 3.44Å; G581-I629 PolarHBondContact N-O 2.82Å; G581-I629 VanDerWaalsContact N-O 3.1Å
582	V	96.9	Very high	94.8	Very high	33 Å²	33	33.6 Å²	33.6	20%	0.2	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	132.4	173	65.6	0	0	0	0	110.1	C529 C531 I589 Y590	C529-V582 HydrophobicContact CB-CB 3.88Å; C529-V582 HydrophobicContact CB-CG1 3.78Å; C529-V582 HydrophobicContact CB-CG2 4.48Å; C531-V582 HydrophobicContact CB-CG2 4.08Å; V582-I589 HydrophobicContact CG2-CG2 3.78Å; V582-Y590 WeakPolarHBondContact CA-O 3.31Å
583	A	97.4	Very high	94.6	Very high	5 Å²	5	31 Å²	31	4%	0.041	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	143.9	174.9	0	0	0	0	0	110.5	L342 Y590 A631 T633	L342-A583 HydrophobicContact CD1-CB 3.37Å; A583-Y590 PolarHBondContact N-O 3.03Å; A583-Y590 PolarHBondContact O-N 2.7Å; A583-A631 HydrophobicContact CB-CB 4.14Å; A583-T633 HydrophobicContact CB-CG2 4.41Å
584	V	97.1	Very high	94.4	Very high	44 Å²	44	30.6 Å²	30.6	27%	0.267	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	116.8	171.7	178.8	0	0	0	0	107.7	C531 V533 K588 T633	C531-V584 HydrophobicContact CB-CG2 3.97Å; V533-V584 HydrophobicContact CG2-CG1 3.88Å; V533-V584 HydrophobicContact CG2-CG2 3.81Å; V584-K588 CarbonylContact C-O 3.54Å; V584-K588 WeakPolarHBondContact CA-O 3.4Å; V584-T633 WeakPolarHBondContact O-CG2 3.2Å
585	F	95	Very high	94.4	Very high	18 Å²	18	26.7 Å²	26.7	8%	0.079	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	126.6	-178.4	-177.5	-115	0	0	0	109.4	T340 E364 N587 K588 Y590 T633	T340-F585 HydrophobicContact CG2-CD2 4.34Å; T340-F585 HydrophobicContact CG2-CE2 4.17Å; T340-F585 WeakPolarHBondContact O-CE2 3.35Å; T340-F585 WeakPolarHBondContact O-CZ 3.36Å; E364-F585 HydrophobicContact CG-CE1 4.22Å; E364-F585 HydrophobicContact CG-CZ 4.37Å; E364-F585 WeakPolarHBondContact OE1-CZ 3.43Å; F585-N587 VanDerWaalsContact C-N 3.28Å; F585-N587 PolarHBondContact O-N 3.21Å; F585-K588 PolarHBondContact N-O 2.94Å; F585-K588 WeakPolarHBondContact O-CB 3.19Å; F585-K588 PolarHBondContact O-N 2.89Å; F585-Y590 HydrophobicContact CB-CD2 3.9Å; F585-Y590 HydrophobicContact CB-CE2 3.81Å; F585-Y590 HydrophobicContact CD1-CE2 4.07Å; F585-Y590 HydrophobicContact CG-CE2 4.45Å; F585-T633 HydrophobicContact CB-CG2 3.88Å; F585-T633 HydrophobicContact CD2-CG2 3.84Å; F585-T633 HydrophobicContact CG-CG2 4.3Å
586	E	92.1	Very high	94.4	Very high	136 Å²	136	23.5 Å²	23.5	64%	0.636	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.5	46.7	-175.6	-58.5	-174.7	156.9	0	0	113.3	K588	E586-K588 PolarHBondContact O-N 3.24Å; E586-K588 VanDerWaalsContact O-N 3.14Å
587	N	95	Very high	94.5	Very high	119 Å²	119	25.6 Å²	25.6	64%	0.636	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.9	16.4	-176.5	-60.7	-21.7	0	0	0	115.5	V533 F585 P611	V533-N587 HydrophobicContact CG1-CB 4.46Å; F585-N587 VanDerWaalsContact C-N 3.28Å; F585-N587 PolarHBondContact O-N 3.21Å; N587-P611 WeakPolarHBondContact O-CD 3.37Å
588	K	97.6	Very high	94.3	Very high	56 Å²	56	29.4 Å²	29.4	24%	0.243	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	149.6	176.3	-64.4	174	-171.9	167.3	0	110.2	V584 F585 E586 Y590 K608 Y609 D610	V584-K588 CarbonylContact C-O 3.54Å; V584-K588 WeakPolarHBondContact CA-O 3.4Å; F585-K588 PolarHBondContact N-O 2.94Å; F585-K588 WeakPolarHBondContact O-CB 3.19Å; F585-K588 PolarHBondContact O-N 2.89Å; E586-K588 PolarHBondContact O-N 3.24Å; E586-K588 VanDerWaalsContact O-N 3.14Å; K588-Y590 HydrophobicContact CB-CD2 4.48Å; K588-Y590 HydrophobicContact CB-CE2 3.91Å; K588-K608 HydrophobicContact CB-CD 4.21Å; K588-K608 HydrophobicContact CB-CG 3.94Å; K588-K608 HydrophobicContact CD-CD 3.78Å; K588-K608 HydrophobicContact CD-CG 4.31Å; K588-Y609 WeakPolarHBondContact CB-O 3.21Å; K588-D610 WeakPolarHBondContact CE-OD2 3.31Å; K588-D610 IonicContact NZ-OD2 3.75Å
589	I	98.4	Very high	94	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	121.7	-177.6	-53.1	171.5	0	0	0	108.4	C531 V533 Y538 I540 V582 K608 Y609	C531-I589 VanDerWaalsContact SG-CG2 3.56Å; V533-I589 HydrophobicContact CG2-CD1 3.86Å; V533-I589 HydrophobicContact CG2-CG1 3.57Å; Y538-I589 HydrophobicContact CD1-CD1 3.87Å; Y538-I589 HydrophobicContact CD2-CD1 3.81Å; Y538-I589 HydrophobicContact CE1-CD1 4.49Å; Y538-I589 HydrophobicContact CE2-CD1 4.44Å; Y538-I589 HydrophobicContact CG-CD1 3.5Å; Y538-I589 VanDerWaalsContact CG-CD1 3.5Å; I540-I589 HydrophobicContact CD1-CB 4.4Å; I540-I589 HydrophobicContact CD1-CD1 3.92Å; I540-I589 HydrophobicContact CD1-CG2 3.65Å; V582-I589 HydrophobicContact CG2-CG2 3.78Å; I589-K608 CarbonylContact O-C 3.56Å; I589-K608 VanDerWaalsContact O-CA 3.26Å; I589-K608 WeakPolarHBondContact O-CA 3.35Å; I589-Y609 HydrophobicContact CD1-CD1 3.97Å; I589-Y609 PolarHBondContact N-O 3.34Å; I589-Y609 VanDerWaalsContact N-O 3.08Å; I589-Y609 PolarHBondContact O-N 3.48Å
590	Y	97.7	Very high	93.9	Very high	20 Å²	20	41.4 Å²	41.4	8%	0.078	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	124.7	176.2	-71.9	-106.7	0	0	0	109.4	L342 V582 A583 F585 K588 V606 Q607 K608 V619 F620	L342-Y590 HydrophobicContact CD2-CD1 4.32Å; V582-Y590 WeakPolarHBondContact CA-O 3.31Å; A583-Y590 PolarHBondContact N-O 3.03Å; A583-Y590 PolarHBondContact O-N 2.7Å; F585-Y590 HydrophobicContact CB-CD2 3.9Å; F585-Y590 HydrophobicContact CB-CE2 3.81Å; F585-Y590 HydrophobicContact CD1-CE2 4.07Å; F585-Y590 HydrophobicContact CG-CE2 4.45Å; K588-Y590 HydrophobicContact CB-CD2 4.48Å; K588-Y590 HydrophobicContact CB-CE2 3.91Å; Y590-V606 HydrophobicContact CD1-CG1 3.97Å; Y590-Q607 CarbonylContact C-O 3.6Å; Y590-Q607 WeakPolarHBondContact CA-O 3.33Å; Y590-K608 HydrophobicContact CD1-CB 4.24Å; Y590-K608 HydrophobicContact CD1-CG 4.48Å; Y590-K608 HydrophobicContact CD2-CG 4.34Å; Y590-K608 HydrophobicContact CE1-CB 4.11Å; Y590-K608 HydrophobicContact CE1-CD 3.96Å; Y590-K608 HydrophobicContact CE1-CG 4.11Å; Y590-K608 HydrophobicContact CE2-CD 3.98Å; Y590-K608 HydrophobicContact CE2-CG 3.93Å; Y590-K608 VanDerWaalsContact CZ-CD 3.49Å; Y590-K608 VanDerWaalsContact OH-CD 3.32Å; Y590-K608 WeakPolarHBondContact OH-CD 3.24Å; Y590-V619 HydrophobicContact CE1-CG2 4.21Å; Y590-F620 HydrophobicContact CD1-CZ 4.5Å; Y590-F620 HydrophobicContact CE1-CE1 4.43Å; Y590-F620 HydrophobicContact CE1-CZ 4.32Å
591	V	97	Very high	93.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	122.4	174	-174.8	0	0	0	0	108.3	I540 M573 Q577 V580 G581 V606 Q607 W616	I540-V591 HydrophobicContact CG2-CG2 3.84Å; M573-V591 HydrophobicContact CE-CB 4.39Å; M573-V591 HydrophobicContact CE-CG1 4Å; M573-V591 HydrophobicContact CE-CG2 4.34Å; Q577-V591 HydrophobicContact CB-CG1 4.41Å; V580-V591 HydrophobicContact CB-CG1 3.72Å; V580-V591 HydrophobicContact CG1-CG1 3.66Å; V580-V591 HydrophobicContact CG2-CG1 3.85Å; G581-V591 WeakPolarHBondContact O-CA 3.41Å; V591-V606 WeakPolarHBondContact O-CA 3.41Å; V591-Q607 PolarHBondContact N-O 3.05Å; V591-Q607 PolarHBondContact O-N 3.02Å; V591-W616 HydrophobicContact CG2-CH2 3.73Å; V591-W616 HydrophobicContact CG2-CZ3 3.84Å
592	V	94.9	Very high	93.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	121.9	-163.8	-179.4	0	0	0	0	110	L342 T344 G581 V606 L622 I629 A631	L342-V592 HydrophobicContact CD2-CG2 4.19Å; T344-V592 HydrophobicContact CG2-CG1 3.74Å; G581-V592 PolarHBondContact N-O 3Å; G581-V592 PolarHBondContact O-N 3.1Å; V592-V606 HydrophobicContact CG1-CG2 4.14Å; V592-V606 HydrophobicContact CG2-CG1 4Å; V592-V606 HydrophobicContact CG2-CG2 4.34Å; V592-L622 HydrophobicContact CG1-CD1 3.71Å; V592-L622 HydrophobicContact CG1-CD2 3.68Å; V592-L622 HydrophobicContact CG1-CG 3.88Å; V592-I629 HydrophobicContact CG1-CD1 4.41Å; V592-I629 WeakPolarHBondContact O-CG2 3.45Å; V592-A631 HydrophobicContact CB-CB 4.32Å; V592-A631 HydrophobicContact CG2-CB 4.15Å
593	G	93.4	Very high	93.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.205	C	C	.	.			trans	66.6	-143.8	171.6	0	0	0	0	0	114.5	Q577 V603 I605	Q577-G593 PolarHBondContact NE2-O 3.11Å; G593-V603 CarbonylContact C-O 3.5Å; G593-V603 WeakPolarHBondContact CA-O 3.45Å; G593-V603 WeakPolarHBondContact O-CG2 3.42Å; G593-I605 PolarHBondContact N-O 3.12Å
594	G	92.9	Very high	92.8	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.216	C	C	.	.			trans	96.3	-163.5	176.9	0	0	0	0	0	114.1	S578 M602 V603 L626	S578-G594 CarbonylContact O-C 3.44Å; S578-G594 WeakPolarHBondContact O-CA 3.38Å; G594-M602 WeakPolarHBondContact O-CA 3.29Å; G594-V603 PolarHBondContact O-N 3.13Å; G594-L626 PolarHBondContact N-O 3.05Å
595	Y	91.9	Very high	92.5	Very high	19 Å²	19	44 Å²	44	8%	0.075	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	134.2	-176.5	-171.5	-101.7	0	0	0	110.6	R350 S578 W597 R600 C601 M602	R350-Y595 VanDerWaalsContact NH1-CE2 3.27Å; R350-Y595 PolarHBondContact NH1-OH 2.69Å; S578-Y595 PolarHBondContact N-O 3.49Å; S578-Y595 PolarHBondContact O-N 2.8Å; Y595-W597 AromaticContact CD1-CD1 4Å; Y595-W597 AromaticContact CD1-CD2 3.75Å; Y595-W597 HydrophobicContact CD1-CD2 3.75Å; Y595-W597 AromaticContact CD1-CE2 3.69Å; Y595-W597 HydrophobicContact CD1-CE3 4.28Å; Y595-W597 AromaticContact CD1-CG 3.97Å; Y595-W597 HydrophobicContact CD1-CG 3.97Å; Y595-W597 HydrophobicContact CD1-CZ2 4.25Å; Y595-W597 AromaticContact CD1-NE1 3.81Å; Y595-W597 AromaticContact CE1-CD2 3.63Å; Y595-W597 HydrophobicContact CE1-CD2 3.63Å; Y595-W597 AromaticContact CE1-CE2 3.97Å; Y595-W597 AromaticContact CE1-CE3 3.7Å; Y595-W597 HydrophobicContact CE1-CE3 3.7Å; Y595-W597 HydrophobicContact CE1-CG 4.06Å; Y595-W597 HydrophobicContact CE1-CZ2 4.42Å; Y595-W597 HydrophobicContact CE1-CZ3 4.18Å; Y595-R600 VanDerWaalsContact CZ-C 3.45Å; Y595-R600 WeakPolarHBondContact OH-CA 3.18Å; Y595-R600 PolarHBondContact OH-O 2.81Å; Y595-C601 VanDerWaalsContact CD2-C 3.43Å; Y595-C601 VanDerWaalsContact CD2-O 3.31Å; Y595-C601 WeakPolarHBondContact CD2-O 3.28Å; Y595-M602 HydrophobicContact CD2-CE 3.99Å; Y595-M602 HydrophobicContact CD2-CG 4.31Å; Y595-M602 HydrophobicContact CD2-SD 3.59Å; Y595-M602 VanDerWaalsContact CD2-SD 3.59Å; Y595-M602 HydrophobicContact CG-SD 4.24Å
596	S	92.6	Very high	92.5	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.014	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	120.6	168	170.8	0	0	0	0	109	D553 G576 N599 R600 C601	D553-S596 PolarHBondContact OD2-OG 2.84Å; G576-S596 WeakPolarHBondContact O-CB 3.2Å; S596-N599 PolarHBondContact OG-N 2.93Å; S596-R600 VanDerWaalsContact O-CA 3.26Å; S596-R600 WeakPolarHBondContact O-CA 3.35Å; S596-R600 PolarHBondContact O-N 2.78Å; S596-C601 PolarHBondContact N-O 3.19Å; S596-C601 PolarHBondContact O-N 3.29Å
597	W	90.6	Very high	92.7	Very high	47 Å²	47	36.6 Å²	36.6	18%	0.178	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-36.7	178.7	-70.5	92.2	0	0	0	112.3	L527 N543 Y551 D553 S578 Y595 N599 R600	L527-W597 HydrophobicContact CD1-CZ2 4.38Å; N543-W597 HydrophobicContact CB-CG 4.21Å; N543-W597 WeakPolarHBondContact ND2-CZ2 3.29Å; N543-W597 PolarHBondContact ND2-NE1 3.21Å; Y551-W597 HydrophobicContact CD1-CD2 4.31Å; Y551-W597 HydrophobicContact CD1-CE3 4.21Å; Y551-W597 HydrophobicContact CD1-CH2 4.16Å; Y551-W597 HydrophobicContact CD1-CZ2 4.32Å; Y551-W597 HydrophobicContact CD1-CZ3 4.12Å; Y551-W597 AromaticContact CD2-CE3 3.8Å; Y551-W597 HydrophobicContact CD2-CE3 3.8Å; Y551-W597 HydrophobicContact CD2-CH2 4.09Å; Y551-W597 AromaticContact CD2-CZ3 3.45Å; Y551-W597 HydrophobicContact CD2-CZ3 3.45Å; Y551-W597 VanDerWaalsContact CD2-CZ3 3.45Å; Y551-W597 HydrophobicContact CE1-CH2 4.25Å; Y551-W597 HydrophobicContact CE2-CH2 4.21Å; Y551-W597 AromaticContact CE2-CZ3 3.94Å; Y551-W597 HydrophobicContact CE2-CZ3 3.94Å; Y551-W597 AromaticContact CG-CD2 3.97Å; Y551-W597 HydrophobicContact CG-CD2 3.97Å; Y551-W597 AromaticContact CG-CE3 3.51Å; Y551-W597 HydrophobicContact CG-CE3 3.51Å; Y551-W597 HydrophobicContact CG-CH2 4.06Å; Y551-W597 AromaticContact CG-CZ3 3.55Å; Y551-W597 HydrophobicContact CG-CZ3 3.55Å; D553-W597 VanDerWaalsContact CG-N 3.34Å; D553-W597 WeakPolarHBondContact OD1-CB 3.5Å; D553-W597 PolarHBondContact OD1-N 2.77Å; D553-W597 PolarHBondContact OD2-N 2.89Å; D553-W597 VanDerWaalsContact OD2-N 3.11Å; S578-W597 VanDerWaalsContact OG-CD1 3.29Å; S578-W597 PolarHBondContact OG-NE1 2.78Å; S578-W597 VanDerWaalsContact OG-NE1 3.15Å; Y595-W597 AromaticContact CD1-CD1 4Å; Y595-W597 AromaticContact CD1-CD2 3.75Å; Y595-W597 HydrophobicContact CD1-CD2 3.75Å; Y595-W597 AromaticContact CD1-CE2 3.69Å; Y595-W597 HydrophobicContact CD1-CE3 4.28Å; Y595-W597 AromaticContact CD1-CG 3.97Å; Y595-W597 HydrophobicContact CD1-CG 3.97Å; Y595-W597 HydrophobicContact CD1-CZ2 4.25Å; Y595-W597 AromaticContact CD1-NE1 3.81Å; Y595-W597 AromaticContact CE1-CD2 3.63Å; Y595-W597 HydrophobicContact CE1-CD2 3.63Å; Y595-W597 AromaticContact CE1-CE2 3.97Å; Y595-W597 AromaticContact CE1-CE3 3.7Å; Y595-W597 HydrophobicContact CE1-CE3 3.7Å; Y595-W597 HydrophobicContact CE1-CG 4.06Å; Y595-W597 HydrophobicContact CE1-CZ2 4.42Å; Y595-W597 HydrophobicContact CE1-CZ3 4.18Å; W597-N599 VanDerWaalsContact C-N 3.35Å; W597-N599 PolarHBondContact O-N 3.06Å; W597-R600 WeakPolarHBondContact O-CG 3.45Å; W597-R600 PolarHBondContact O-N 3.35Å
598	N	89.2	Confident	92.8	Very high	81 Å²	81	32.8 Å²	32.8	43%	0.433	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-39.3	178	-75.5	-23.7	0	0	0	111.9	D552 D553	D552-N598 PolarHBondContact OD1-ND2 3.34Å; D552-N598 PolarHBondContact OD1-OD1 2.76Å; D553-N598 WeakPolarHBondContact OD2-CB 3.5Å; D553-N598 PolarHBondContact OD2-N 3.21Å
599	N	86.9	Confident	92.9	Very high	97 Å²	97	30.3 Å²	30.3	52%	0.519	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-6.4	177.6	-63.9	-3.9	0	0	0	113.1	R575 S596 W597 C601	R575-N599 PolarHBondContact NE-ND2 3Å; R575-N599 PolarHBondContact NH2-ND2 3.09Å; R575-N599 VanDerWaalsContact NH2-ND2 3.11Å; S596-N599 PolarHBondContact OG-N 2.93Å; W597-N599 VanDerWaalsContact C-N 3.35Å; W597-N599 PolarHBondContact O-N 3.06Å; N599-C601 PolarHBondContact O-N 3.42Å
600	R	87.4	Confident	92.8	Very high	183 Å²	183	30.8 Å²	30.8	69%	0.691	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.8	31.6	-178.8	-58.1	-178.8	177.9	-174	-2.9	114.3	Y595 S596 W597	Y595-R600 VanDerWaalsContact CZ-C 3.45Å; Y595-R600 WeakPolarHBondContact OH-CA 3.18Å; Y595-R600 PolarHBondContact OH-O 2.81Å; S596-R600 VanDerWaalsContact O-CA 3.26Å; S596-R600 WeakPolarHBondContact O-CA 3.35Å; S596-R600 PolarHBondContact O-N 2.78Å; W597-R600 WeakPolarHBondContact O-CG 3.45Å; W597-R600 PolarHBondContact O-N 3.35Å
601	C	87.6	Confident	92.8	Very high	38 Å²	38	31.3 Å²	31.3	26%	0.257	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	155	-176.4	66.7	0	0	0	0	112.9	Y595 S596 N599	Y595-C601 VanDerWaalsContact CD2-C 3.43Å; Y595-C601 VanDerWaalsContact CD2-O 3.31Å; Y595-C601 WeakPolarHBondContact CD2-O 3.28Å; S596-C601 PolarHBondContact N-O 3.19Å; S596-C601 PolarHBondContact O-N 3.29Å; N599-C601 PolarHBondContact O-N 3.42Å
602	M	89.5	Confident	92.9	Very high	31 Å²	31	39.7 Å²	39.7	15%	0.153	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	147	164.3	-64.7	-58.2	-178.7	0	0	109.1	V348 R350 G594 Y595 S625 G627	V348-M602 HydrophobicContact CG1-CE 4.05Å; R350-M602 HydrophobicContact CB-CE 3.46Å; R350-M602 VanDerWaalsContact CB-CE 3.46Å; R350-M602 HydrophobicContact CB-CG 4.18Å; R350-M602 HydrophobicContact CG-CE 4.29Å; G594-M602 WeakPolarHBondContact O-CA 3.29Å; Y595-M602 HydrophobicContact CD2-CE 3.99Å; Y595-M602 HydrophobicContact CD2-CG 4.31Å; Y595-M602 HydrophobicContact CD2-SD 3.59Å; Y595-M602 VanDerWaalsContact CD2-SD 3.59Å; Y595-M602 HydrophobicContact CG-SD 4.24Å; M602-S625 VanDerWaalsContact CB-O 3.24Å; M602-S625 WeakPolarHBondContact CB-O 3.3Å; M602-G627 WeakPolarHBondContact SD-CA 3.28Å; M602-G627 PolarHBondContact SD-N 3.5Å
603	V	90.3	Very high	93	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	21%	0.214	C	C	.	.			trans	-123.6	141.4	-179.6	-58.8	0	0	0	0	110.3	R575 Q577 G593 G594 I605	R575-V603 VanDerWaalsContact CZ-CG1 3.44Å; R575-V603 VanDerWaalsContact NH2-CG1 3.32Å; Q577-V603 HydrophobicContact CG-CG2 4.08Å; G593-V603 CarbonylContact C-O 3.5Å; G593-V603 WeakPolarHBondContact CA-O 3.45Å; G593-V603 WeakPolarHBondContact O-CG2 3.42Å; G594-V603 PolarHBondContact O-N 3.13Å; V603-I605 HydrophobicContact CB-CG2 4.03Å; V603-I605 HydrophobicContact CG2-CG2 3.84Å
604	E	90.9	Very high	93.2	Very high	61 Å²	61	48.9 Å²	48.9	29%	0.285	23%	0.231	S	C	.	.			trans	-91.7	-9.6	176.3	62	-75.4	171.4	0	0	112.5	V606 D621 L622 S625	E604-V606 PolarHBondContact O-N 2.86Å; E604-D621 HydrophobicContact CB-CB 4.34Å; E604-D621 HydrophobicContact CG-CB 3.82Å; E604-D621 CarbonylContact O-C 3.58Å; E604-D621 WeakPolarHBondContact O-CA 3.33Å; E604-L622 HydrophobicContact CB-CB 4.17Å; E604-L622 PolarHBondContact O-N 3.31Å; E604-S625 PolarHBondContact OE2-OG 3.02Å
605	I	92.6	Very high	93.4	Very high	15 Å²	15	53.4 Å²	53.4	8%	0.077	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	134.6	-172	-168.4	174	0	0	0	112.3	Q577 G593 V603 Q607 K618	Q577-I605 HydrophobicContact CG-CG2 4.46Å; Q577-I605 PolarHBondContact NE2-O 2.72Å; Q577-I605 VanDerWaalsContact NE2-O 3.16Å; G593-I605 PolarHBondContact N-O 3.12Å; V603-I605 HydrophobicContact CB-CG2 4.03Å; V603-I605 HydrophobicContact CG2-CG2 3.84Å; I605-Q607 HydrophobicContact CD1-CG 3.82Å; I605-Q607 HydrophobicContact CG1-CG 3.97Å; I605-K618 HydrophobicContact CD1-CB 4.46Å; I605-K618 HydrophobicContact CD1-CD 4.12Å; I605-K618 HydrophobicContact CD1-CG 4.14Å; I605-K618 HydrophobicContact CG1-CD 4.2Å; I605-K618 HydrophobicContact CG1-CG 4.05Å
606	V	94.8	Very high	93.7	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	117.3	163.5	-175.4	0	0	0	0	109.3	Y590 V591 V592 E604 V619 F620 L622	Y590-V606 HydrophobicContact CD1-CG1 3.97Å; V591-V606 WeakPolarHBondContact O-CA 3.41Å; V592-V606 HydrophobicContact CG1-CG2 4.14Å; V592-V606 HydrophobicContact CG2-CG1 4Å; V592-V606 HydrophobicContact CG2-CG2 4.34Å; E604-V606 PolarHBondContact O-N 2.86Å; V606-V619 PolarHBondContact O-N 3.11Å; V606-F620 WeakPolarHBondContact CA-O 3.21Å; V606-F620 HydrophobicContact CB-CD2 3.91Å; V606-F620 HydrophobicContact CB-CE2 3.97Å; V606-F620 WeakPolarHBondContact CB-O 3.43Å; V606-F620 HydrophobicContact CG1-CD2 4.29Å; V606-F620 HydrophobicContact CG1-CE2 3.86Å; V606-F620 HydrophobicContact CG1-CZ 4.24Å; V606-F620 HydrophobicContact CG2-CD2 3.77Å; V606-F620 HydrophobicContact CG2-CE2 3.84Å; V606-F620 PolarHBondContact N-O 2.88Å; V606-L622 HydrophobicContact CG2-CG 4.33Å
607	Q	96	Very high	93.9	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	139.4	175.8	-61.6	-172.7	74.3	0	0	109.7	L574 R575 Y590 V591 I605 W616 H617	L574-Q607 VanDerWaalsContact CB-OE1 3.22Å; R575-Q607 PolarHBondContact O-NE2 2.86Å; Y590-Q607 CarbonylContact C-O 3.6Å; Y590-Q607 WeakPolarHBondContact CA-O 3.33Å; V591-Q607 PolarHBondContact N-O 3.05Å; V591-Q607 PolarHBondContact O-N 3.02Å; I605-Q607 HydrophobicContact CD1-CG 3.82Å; I605-Q607 HydrophobicContact CG1-CG 3.97Å; Q607-W616 HydrophobicContact CB-CE3 3.81Å; Q607-W616 HydrophobicContact CB-CZ3 3.86Å; Q607-H617 CarbonylContact C-O 3.57Å; Q607-H617 WeakPolarHBondContact CA-O 3.32Å
608	K	97.2	Very high	94.1	Very high	38 Å²	38	60.1 Å²	60.1	17%	0.165	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	126.2	176.1	177.8	-170.9	79.4	-169.7	0	110.2	K588 I589 Y590 W616 H617 V619	K588-K608 HydrophobicContact CB-CD 4.21Å; K588-K608 HydrophobicContact CB-CG 3.94Å; K588-K608 HydrophobicContact CD-CD 3.78Å; K588-K608 HydrophobicContact CD-CG 4.31Å; I589-K608 CarbonylContact O-C 3.56Å; I589-K608 VanDerWaalsContact O-CA 3.26Å; I589-K608 WeakPolarHBondContact O-CA 3.35Å; Y590-K608 HydrophobicContact CD1-CB 4.24Å; Y590-K608 HydrophobicContact CD1-CG 4.48Å; Y590-K608 HydrophobicContact CD2-CG 4.34Å; Y590-K608 HydrophobicContact CE1-CB 4.11Å; Y590-K608 HydrophobicContact CE1-CD 3.96Å; Y590-K608 HydrophobicContact CE1-CG 4.11Å; Y590-K608 HydrophobicContact CE2-CD 3.98Å; Y590-K608 HydrophobicContact CE2-CG 3.93Å; Y590-K608 VanDerWaalsContact CZ-CD 3.49Å; Y590-K608 VanDerWaalsContact OH-CD 3.32Å; Y590-K608 WeakPolarHBondContact OH-CD 3.24Å; K608-W616 CarbonylContact O-C 3.55Å; K608-W616 WeakPolarHBondContact O-CA 3.41Å; K608-H617 PolarHBondContact N-O 3.24Å; K608-H617 PolarHBondContact O-N 2.96Å; K608-V619 HydrophobicContact CB-CG2 3.3Å; K608-V619 HydrophobicContact CD-CG2 4.31Å; K608-V619 HydrophobicContact CG-CG2 4.43Å
609	Y	98.5	Very high	94.2	Very high	4 Å²	4	59 Å²	59	2%	0.016	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	133.9	170.1	179.3	-108.4	0	0	0	110.2	Y538 I570 A571 K588 I589 P611 D614 E615 W616	Y538-Y609 HydrophobicContact CD1-CE1 4.09Å; Y538-Y609 AromaticContact CE1-CE1 3.72Å; Y538-Y609 HydrophobicContact CE1-CE1 3.72Å; I570-Y609 WeakPolarHBondContact CB-OH 3.38Å; I570-Y609 HydrophobicContact CD1-CE1 3.85Å; I570-Y609 HydrophobicContact CD1-CE2 4.06Å; I570-Y609 WeakPolarHBondContact CG2-OH 3.26Å; A571-Y609 HydrophobicContact CB-CE2 4.38Å; K588-Y609 WeakPolarHBondContact CB-O 3.21Å; I589-Y609 HydrophobicContact CD1-CD1 3.97Å; I589-Y609 PolarHBondContact N-O 3.34Å; I589-Y609 VanDerWaalsContact N-O 3.08Å; I589-Y609 PolarHBondContact O-N 3.48Å; Y609-P611 HydrophobicContact CD1-CG 3.9Å; Y609-P611 HydrophobicContact CE1-CB 4.03Å; Y609-P611 HydrophobicContact CE1-CG 3.91Å; Y609-P611 WeakPolarHBondContact O-CD 3.2Å; Y609-D614 VanDerWaalsContact CE2-OD1 3.3Å; Y609-D614 WeakPolarHBondContact CE2-OD1 3.33Å; Y609-D614 PolarHBondContact OH-OD1 2.65Å; Y609-E615 WeakPolarHBondContact CA-O 3.5Å; Y609-W616 AromaticContact CD2-CD1 3.73Å; Y609-W616 AromaticContact CD2-CD2 3.95Å; Y609-W616 HydrophobicContact CD2-CD2 3.95Å; Y609-W616 AromaticContact CD2-CE2 3.6Å; Y609-W616 HydrophobicContact CD2-CG 4.04Å; Y609-W616 HydrophobicContact CD2-CZ2 4.12Å; Y609-W616 AromaticContact CD2-NE1 3.44Å; Y609-W616 HydrophobicContact CG-CD2 4.31Å; Y609-W616 AromaticContact CG-CE2 3.96Å; Y609-W616 HydrophobicContact CG-CH2 4.46Å; Y609-W616 HydrophobicContact CG-CZ2 4.05Å
610	D	98.1	Very high	94.4	Very high	11 Å²	11	55.8 Å²	55.8	6%	0.059	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	103.5	173.6	-168.2	-34.5	0	0	0	109.4	K588 E612 K613 D614 E615	K588-D610 WeakPolarHBondContact CE-OD2 3.31Å; K588-D610 IonicContact NZ-OD2 3.75Å; D610-E612 PolarHBondContact O-N 2.87Å; D610-E612 PolarHBondContact OD1-N 3.21Å; D610-E612 VanDerWaalsContact OD1-N 3.11Å; D610-K613 HydrophobicContact CB-CB 4.36Å; D610-K613 PolarHBondContact O-N 3.47Å; D610-D614 PolarHBondContact O-N 3.29Å; D610-E615 PolarHBondContact N-O 3.26Å; D610-E615 PolarHBondContact O-N 3.11Å
611	P	97.7	Very high	94.5	Very high	30 Å²	30	50 Å²	50	20%	0.195	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-21.8	-177.9	-25.1	35.9	0	0	0	115.1	V533 N587 Y609	V533-P611 HydrophobicContact CG1-CG 4.26Å; N587-P611 WeakPolarHBondContact O-CD 3.37Å; Y609-P611 HydrophobicContact CD1-CG 3.9Å; Y609-P611 HydrophobicContact CE1-CB 4.03Å; Y609-P611 HydrophobicContact CE1-CG 3.91Å; Y609-P611 WeakPolarHBondContact O-CD 3.2Å
612	E	97.1	Very high	94.6	Very high	176 Å²	176	48.7 Å²	48.7	82%	0.822	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-30.8	179	-63	-172.9	161.3	0	0	111.8	D610	D610-E612 PolarHBondContact O-N 2.87Å; D610-E612 PolarHBondContact OD1-N 3.21Å; D610-E612 VanDerWaalsContact OD1-N 3.11Å
613	K	97.7	Very high	94.5	Very high	127 Å²	127	50.8 Å²	50.8	55%	0.552	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-16.1	-177.5	-63.2	-178	-178.9	178.4	0	113.9	D610 E615	D610-K613 HydrophobicContact CB-CB 4.36Å; D610-K613 PolarHBondContact O-N 3.47Å; K613-E615 HydrophobicContact CB-CB 4.22Å; K613-E615 HydrophobicContact CB-CG 4.16Å
614	D	98.1	Very high	94.4	Very high	67 Å²	67	53.7 Å²	53.7	36%	0.358	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	49.6	-169.6	-167.9	27.8	0	0	0	112.2	I570 A571 Y609 D610	I570-D614 VanDerWaalsContact CB-OD1 3.27Å; I570-D614 WeakPolarHBondContact CB-OD1 3.47Å; A571-D614 WeakPolarHBondContact CB-O 3.2Å; A571-D614 WeakPolarHBondContact CB-OD1 3.35Å; A571-D614 PolarHBondContact N-OD1 3.49Å; A571-D614 PolarHBondContact N-OD2 3.13Å; Y609-D614 VanDerWaalsContact CE2-OD1 3.3Å; Y609-D614 WeakPolarHBondContact CE2-OD1 3.33Å; Y609-D614 PolarHBondContact OH-OD1 2.65Å; D610-D614 PolarHBondContact O-N 3.29Å
615	E	97.9	Very high	94.2	Very high	94 Å²	94	52.9 Å²	52.9	44%	0.439	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	140.9	-174.4	-73	177.5	168.5	0	0	112.9	Y609 D610 K613 H617	Y609-E615 WeakPolarHBondContact CA-O 3.5Å; D610-E615 PolarHBondContact N-O 3.26Å; D610-E615 PolarHBondContact O-N 3.11Å; K613-E615 HydrophobicContact CB-CB 4.22Å; K613-E615 HydrophobicContact CB-CG 4.16Å; E615-H617 IonicContact OE2-CE1 2.66Å
616	W	98.1	Very high	94.1	Very high	20 Å²	20	52.3 Å²	52.3	8%	0.076	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	141.1	173.4	-73.5	93.6	0	0	0	112.2	I540 A571 M573 L574 V591 Q607 K608 Y609	I540-W616 HydrophobicContact CD1-CH2 4.08Å; I540-W616 HydrophobicContact CD1-CZ2 4.3Å; I540-W616 HydrophobicContact CG1-CH2 4.36Å; I540-W616 HydrophobicContact CG1-CZ2 4.24Å; I540-W616 HydrophobicContact CG2-CH2 3.67Å; I540-W616 HydrophobicContact CG2-CZ2 3.93Å; A571-W616 PolarHBondContact O-NE1 2.95Å; M573-W616 HydrophobicContact CE-CH2 4.48Å; M573-W616 HydrophobicContact CG-CH2 4.28Å; M573-W616 HydrophobicContact CG-CZ2 3.89Å; L574-W616 HydrophobicContact CD1-CB 4.23Å; L574-W616 HydrophobicContact CD2-CB 4.04Å; L574-W616 HydrophobicContact CG-CB 3.78Å; V591-W616 HydrophobicContact CG2-CH2 3.73Å; V591-W616 HydrophobicContact CG2-CZ3 3.84Å; Q607-W616 HydrophobicContact CB-CE3 3.81Å; Q607-W616 HydrophobicContact CB-CZ3 3.86Å; K608-W616 CarbonylContact O-C 3.55Å; K608-W616 WeakPolarHBondContact O-CA 3.41Å; Y609-W616 AromaticContact CD2-CD1 3.73Å; Y609-W616 AromaticContact CD2-CD2 3.95Å; Y609-W616 HydrophobicContact CD2-CD2 3.95Å; Y609-W616 AromaticContact CD2-CE2 3.6Å; Y609-W616 HydrophobicContact CD2-CG 4.04Å; Y609-W616 HydrophobicContact CD2-CZ2 4.12Å; Y609-W616 AromaticContact CD2-NE1 3.44Å; Y609-W616 HydrophobicContact CG-CD2 4.31Å; Y609-W616 AromaticContact CG-CE2 3.96Å; Y609-W616 HydrophobicContact CG-CH2 4.46Å; Y609-W616 HydrophobicContact CG-CZ2 4.05Å
617	H	96.8	Very high	93.7	Very high	75 Å²	75	52.4 Å²	52.4	35%	0.347	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	135.9	177.7	-61.9	77.3	0	0	0	110.2	Q607 K608 E615	Q607-H617 CarbonylContact C-O 3.57Å; Q607-H617 WeakPolarHBondContact CA-O 3.32Å; K608-H617 PolarHBondContact N-O 3.24Å; K608-H617 PolarHBondContact O-N 2.96Å; E615-H617 IonicContact OE2-CE1 2.66Å
618	K	94.6	Very high	93.4	Very high	114 Å²	114	52.4 Å²	52.4	50%	0.496	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	132.2	159.8	178.9	178.2	176.4	177.5	0	107.9	I605 D621	I605-K618 HydrophobicContact CD1-CB 4.46Å; I605-K618 HydrophobicContact CD1-CD 4.12Å; I605-K618 HydrophobicContact CD1-CG 4.14Å; I605-K618 HydrophobicContact CG1-CD 4.2Å; I605-K618 HydrophobicContact CG1-CG 4.05Å; K618-D621 WeakPolarHBondContact CE-OD1 3.49Å; K618-D621 VanDerWaalsContact NZ-CG 3.32Å; K618-D621 IonicContact NZ-OD1 3.84Å; K618-D621 PolarHBondContact NZ-OD1 3.15Å; K618-D621 IonicContact NZ-OD2 2.68Å; K618-D621 PolarHBondContact NZ-OD2 2.99Å
619	V	91.3	Very high	93.1	Very high	57 Å²	57	50.8 Å²	50.8	35%	0.345	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	-64.3	-178.1	-146.4	0	0	0	0	111.5	Y590 V606 K608	Y590-V619 HydrophobicContact CE1-CG2 4.21Å; V606-V619 PolarHBondContact O-N 3.11Å; K608-V619 HydrophobicContact CB-CG2 3.3Å; K608-V619 HydrophobicContact CD-CG2 4.31Å; K608-V619 HydrophobicContact CG-CG2 4.43Å
620	F	89.3	Confident	93	Very high	30 Å²	30	52.4 Å²	52.4	13%	0.132	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	175.1	-178.9	41.5	-99.3	0	0	0	109.1	L342 Y362 W369 Y590 V606	L342-F620 HydrophobicContact CD2-CE2 4.19Å; L342-F620 HydrophobicContact CD2-CZ 4.08Å; Y362-F620 AromaticContact CD1-CE1 3.92Å; Y362-F620 HydrophobicContact CD1-CE1 3.92Å; Y362-F620 HydrophobicContact CD1-CE2 4.32Å; Y362-F620 AromaticContact CD1-CZ 3.68Å; Y362-F620 HydrophobicContact CD1-CZ 3.68Å; Y362-F620 HydrophobicContact CD2-CD2 4.3Å; Y362-F620 AromaticContact CD2-CE2 3.99Å; Y362-F620 HydrophobicContact CD2-CE2 3.99Å; Y362-F620 HydrophobicContact CD2-CZ 4.16Å; Y362-F620 AromaticContact CE1-CD1 3.9Å; Y362-F620 HydrophobicContact CE1-CD1 3.9Å; Y362-F620 AromaticContact CE1-CE1 3.35Å; Y362-F620 HydrophobicContact CE1-CE1 3.35Å; Y362-F620 HydrophobicContact CE1-CE2 4.35Å; Y362-F620 AromaticContact CE1-CZ 3.61Å; Y362-F620 HydrophobicContact CE1-CZ 3.61Å; Y362-F620 HydrophobicContact CE2-CD1 4.06Å; Y362-F620 AromaticContact CE2-CD2 3.98Å; Y362-F620 HydrophobicContact CE2-CD2 3.98Å; Y362-F620 HydrophobicContact CE2-CE1 4.14Å; Y362-F620 HydrophobicContact CE2-CE2 4.03Å; Y362-F620 AromaticContact CE2-CG 4Å; Y362-F620 HydrophobicContact CE2-CG 4Å; Y362-F620 HydrophobicContact CE2-CZ 4.12Å; Y362-F620 HydrophobicContact CG-CE2 4.14Å; Y362-F620 AromaticContact CG-CZ 3.96Å; Y362-F620 HydrophobicContact CG-CZ 3.96Å; Y362-F620 AromaticContact CZ-CD1 3.5Å; Y362-F620 AromaticContact CZ-CE1 3.47Å; Y362-F620 VanDerWaalsContact CZ-CE1 3.47Å; Y362-F620 AromaticContact CZ-CG 3.92Å; Y362-F620 AromaticContact CZ-CZ 3.84Å; Y362-F620 WeakPolarHBondContact OH-CD1 3.25Å; W369-F620 HydrophobicContact CZ2-CD2 4.25Å; W369-F620 AromaticContact CZ2-CE2 3.75Å; W369-F620 HydrophobicContact CZ2-CE2 3.75Å; Y590-F620 HydrophobicContact CD1-CZ 4.5Å; Y590-F620 HydrophobicContact CE1-CE1 4.43Å; Y590-F620 HydrophobicContact CE1-CZ 4.32Å; V606-F620 WeakPolarHBondContact CA-O 3.21Å; V606-F620 HydrophobicContact CB-CD2 3.91Å; V606-F620 HydrophobicContact CB-CE2 3.97Å; V606-F620 WeakPolarHBondContact CB-O 3.43Å; V606-F620 HydrophobicContact CG1-CD2 4.29Å; V606-F620 HydrophobicContact CG1-CE2 3.86Å; V606-F620 HydrophobicContact CG1-CZ 4.24Å; V606-F620 HydrophobicContact CG2-CD2 3.77Å; V606-F620 HydrophobicContact CG2-CE2 3.84Å; V606-F620 PolarHBondContact N-O 2.88Å
621	D	91.3	Very high	92.9	Very high	62 Å²	62	52.2 Å²	52.2	33%	0.332	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	149.4	178.8	-64.7	-39	0	0	0	110.1	W369 E604 K618	W369-D621 PolarHBondContact NE1-O 3.21Å; E604-D621 HydrophobicContact CB-CB 4.34Å; E604-D621 HydrophobicContact CG-CB 3.82Å; E604-D621 CarbonylContact O-C 3.58Å; E604-D621 WeakPolarHBondContact O-CA 3.33Å; K618-D621 WeakPolarHBondContact CE-OD1 3.49Å; K618-D621 VanDerWaalsContact NZ-CG 3.32Å; K618-D621 IonicContact NZ-OD1 3.84Å; K618-D621 PolarHBondContact NZ-OD1 3.15Å; K618-D621 IonicContact NZ-OD2 2.68Å; K618-D621 PolarHBondContact NZ-OD2 2.99Å
622	L	89.9	Confident	92.9	Very high	10 Å²	10	51.5 Å²	51.5	5%	0.052	26%	0.257	C	S	.	.			trans	-66.5	153.5	166.4	-73	171.1	0	0	0	109.8	T344 W369 V592 E604 V606 E624 I629	T344-L622 HydrophobicContact CG2-CD2 4.36Å; W369-L622 HydrophobicContact CH2-CD2 4.05Å; W369-L622 HydrophobicContact CZ2-CD2 3.56Å; V592-L622 HydrophobicContact CG1-CD1 3.71Å; V592-L622 HydrophobicContact CG1-CD2 3.68Å; V592-L622 HydrophobicContact CG1-CG 3.88Å; E604-L622 HydrophobicContact CB-CB 4.17Å; E604-L622 PolarHBondContact O-N 3.31Å; V606-L622 HydrophobicContact CG2-CG 4.33Å; L622-E624 VanDerWaalsContact CB-O 3.31Å; L622-E624 WeakPolarHBondContact CB-O 3.49Å; L622-E624 PolarHBondContact O-N 2.79Å; L622-I629 HydrophobicContact CD1-CD1 3.8Å; L622-I629 HydrophobicContact CD2-CD1 4.2Å
623	P	86.9	Confident	92.9	Very high	75 Å²	75	45.3 Å²	45.3	49%	0.487	23%	0.231	S	C	.	.	S	Bend	trans	-61.5	-26.3	173.9	-21.4	33.4	0	0	0	112.8	W369	W369-P623 HydrophobicContact CB-CG 3.91Å; W369-P623 HydrophobicContact CG-CG 3.93Å
624	E	87.1	Confident	92.8	Very high	62 Å²	62	39.3 Å²	39.3	29%	0.29	21%	0.205	S	C	.	.	S	Bend	trans	-139.7	142.8	-178.1	-70.5	161.2	-129.8	0	0	110.4	L349 R360 L622 L626	L349-E624 WeakPolarHBondContact CD1-OE2 3.49Å; R360-E624 IonicContact CZ-OE1 3.38Å; R360-E624 IonicContact NH1-OE1 3.42Å; R360-E624 PolarHBondContact NH1-OE1 3.29Å; R360-E624 IonicContact NH2-OE1 3.69Å; R360-E624 PolarHBondContact NH2-OE1 3.15Å; L622-E624 VanDerWaalsContact CB-O 3.31Å; L622-E624 WeakPolarHBondContact CB-O 3.49Å; L622-E624 PolarHBondContact O-N 2.79Å; E624-L626 HydrophobicContact CB-CD1 4.28Å; E624-L626 HydrophobicContact CB-CG 4.07Å; E624-L626 PolarHBondContact O-N 3.13Å; E624-L626 VanDerWaalsContact O-N 3.09Å
625	S	88.3	Confident	92.7	Very high	43 Å²	43	37.5 Å²	37.5	30%	0.301	20%	0.197	S	C	.	.			trans	-77.7	92	176.1	-39.6	0	0	0	0	110.2	M602 E604	M602-S625 VanDerWaalsContact CB-O 3.24Å; M602-S625 WeakPolarHBondContact CB-O 3.3Å; E604-S625 PolarHBondContact OE2-OG 3.02Å
626	L	88.6	Confident	92.4	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.021	18%	0.177	C	C	.	.			trans	-108	131	-174.1	-69.5	166.5	0	0	0	112	L349 G594 E624 I629	L349-L626 HydrophobicContact CD1-CD2 3.3Å; L349-L626 HydrophobicContact CG-CD2 3.72Å; G594-L626 PolarHBondContact N-O 3.05Å; E624-L626 HydrophobicContact CB-CD1 4.28Å; E624-L626 HydrophobicContact CB-CG 4.07Å; E624-L626 PolarHBondContact O-N 3.13Å; E624-L626 VanDerWaalsContact O-N 3.09Å; L626-I629 HydrophobicContact CB-CB 4.31Å; L626-I629 HydrophobicContact CB-CD1 4.33Å; L626-I629 HydrophobicContact CD1-CD1 4.09Å
627	G	87.4	Confident	91.9	Very high	2 Å²	2	37 Å²	37	2%	0.021	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-96.1	151.8	168.8	0	0	0	0	0	112.6	G347 V348 M602 I629	G347-G627 CarbonylContact C-O 3.45Å; G347-G627 WeakPolarHBondContact CA-O 3.49Å; V348-G627 PolarHBondContact N-O 3.06Å; V348-G627 PolarHBondContact O-N 3.21Å; M602-G627 WeakPolarHBondContact SD-CA 3.28Å; M602-G627 PolarHBondContact SD-N 3.5Å; G627-I629 PolarHBondContact O-N 3.34Å
628	G	88.7	Confident	91.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.192	C	C	.	.	S	Bend	trans	64.1	20.9	-179.1	0	0	0	0	0	113.2	D579	D579-G628 VanDerWaalsContact O-CA 3.24Å; D579-G628 WeakPolarHBondContact O-CA 3.43Å; D579-G628 PolarHBondContact O-N 3.13Å
629	I	92.4	Very high	90.5	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.015	18%	0.181	C	C	.	.			trans	-66.5	151.4	171	-166.9	169.4	0	0	0	108.8	T344 V580 G581 V592 L622 L626 G627	T344-I629 HydrophobicContact CG2-CD1 4.24Å; V580-I629 CarbonylContact C-O 3.52Å; V580-I629 VanDerWaalsContact C-O 3.25Å; G581-I629 WeakPolarHBondContact CA-O 3.44Å; G581-I629 PolarHBondContact N-O 2.82Å; G581-I629 VanDerWaalsContact N-O 3.1Å; V592-I629 HydrophobicContact CG1-CD1 4.41Å; V592-I629 WeakPolarHBondContact O-CG2 3.45Å; L622-I629 HydrophobicContact CD1-CD1 3.8Å; L622-I629 HydrophobicContact CD2-CD1 4.2Å; L626-I629 HydrophobicContact CB-CB 4.31Å; L626-I629 HydrophobicContact CB-CD1 4.33Å; L626-I629 HydrophobicContact CD1-CD1 4.09Å; G627-I629 PolarHBondContact O-N 3.34Å
630	R	95.5	Very high	89.5	Confident	38 Å²	38	35.8 Å²	35.8	14%	0.143	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	147.5	173.6	-62.7	-62.2	-178.2	-117.4	0.7	110.2	T344 L345 H382 I384 V580	T344-R630 CarbonylContact C-O 3.58Å; T344-R630 VanDerWaalsContact CA-O 3.23Å; T344-R630 WeakPolarHBondContact CA-O 3.41Å; L345-R630 PolarHBondContact N-O 2.69Å; L345-R630 PolarHBondContact O-N 3.13Å; L345-R630 VanDerWaalsContact O-N 3.09Å; H382-R630 WeakPolarHBondContact NE2-CG 3.26Å; H382-R630 PolarHBondContact O-NE 2.92Å; H382-R630 PolarHBondContact O-NH2 3.14Å; I384-R630 HydrophobicContact CB-CB 4.42Å; I384-R630 HydrophobicContact CD1-CB 3.54Å; I384-R630 HydrophobicContact CG1-CB 3.79Å; I384-R630 HydrophobicContact CG1-CG 4.35Å; I384-R630 HydrophobicContact CG2-CB 3.78Å; I384-R630 HydrophobicContact CG2-CG 4.12Å; V580-R630 PolarHBondContact O-NH1 2.93Å
631	A	96.6	Very high	87.9	Confident	7 Å²	7	39.9 Å²	39.9	6%	0.058	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	144.6	-178.7	0	0	0	0	0	111	L342 V343 T344 I384 A583 V592	L342-A631 HydrophobicContact CD1-CB 4.38Å; V343-A631 CarbonylContact O-C 3.44Å; V343-A631 WeakPolarHBondContact O-CA 3.23Å; T344-A631 HydrophobicContact CG2-CB 4.15Å; I384-A631 VanDerWaalsContact CD1-O 3.25Å; I384-A631 WeakPolarHBondContact CD1-O 3.42Å; A583-A631 HydrophobicContact CB-CB 4.14Å; V592-A631 HydrophobicContact CB-CB 4.32Å; V592-A631 HydrophobicContact CG2-CB 4.15Å
632	C	97.4	Very high	85.4	Confident	16 Å²	16	43.6 Å²	43.6	11%	0.108	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	-178.3	172.8	62.4	0	0	0	0	109.6	V343 I384 V386	V343-C632 PolarHBondContact N-O 3.11Å; V343-C632 PolarHBondContact O-N 2.64Å; I384-C632 HydrophobicContact CD1-CB 3.88Å; V386-C632 HydrophobicContact CG2-CB 4.14Å
633	T	96.9	Very high	82.7	Confident	46 Å²	46	50.3 Å²	50.3	28%	0.282	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	136.5	168.9	53	0	0	0	0	110.4	T340 H341 A583 V584 F585	T340-T633 HydrophobicContact CG2-CG2 4.4Å; H341-T633 VanDerWaalsContact O-CA 3.28Å; H341-T633 WeakPolarHBondContact O-CA 3.49Å; A583-T633 HydrophobicContact CB-CG2 4.41Å; V584-T633 WeakPolarHBondContact O-CG2 3.2Å; F585-T633 HydrophobicContact CB-CG2 3.88Å; F585-T633 HydrophobicContact CD2-CG2 3.84Å; F585-T633 HydrophobicContact CG-CG2 4.3Å
634	L	96.6	Very high	80.1	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	144.8	174.5	-67.7	174.3	0	0	0	110.5	H341 V343 V386 L391 F414	H341-L634 PolarHBondContact N-O 3.32Å; H341-L634 PolarHBondContact O-N 2.76Å; V343-L634 HydrophobicContact CB-CD1 4.34Å; V343-L634 HydrophobicContact CG1-CD1 4.2Å; V343-L634 HydrophobicContact CG2-CB 3.99Å; V343-L634 HydrophobicContact CG2-CD1 4.15Å; V343-L634 HydrophobicContact CG2-CG 4.29Å; V386-L634 HydrophobicContact CG1-CD2 3.82Å; V386-L634 HydrophobicContact CG2-CD2 3.8Å; L391-L634 HydrophobicContact CB-CD1 3.81Å; L391-L634 HydrophobicContact CB-CD2 4.19Å; L391-L634 HydrophobicContact CD2-CD1 4.11Å; F414-L634 HydrophobicContact CD1-CD1 4.32Å
635	T	95	Very high	77.2	Confident	29 Å²	29	51.3 Å²	51.3	18%	0.178	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	114.5	162	-55.6	0	0	0	0	107.5	I335 S337 S339 T340 N389	I335-T635 HydrophobicContact CB-CG2 4.5Å; I335-T635 WeakPolarHBondContact CD1-O 3.43Å; S337-T635 WeakPolarHBondContact O-CG2 3.28Å; S339-T635 WeakPolarHBondContact O-CA 3.19Å; S339-T635 WeakPolarHBondContact O-CG2 3.38Å; T340-T635 PolarHBondContact OG1-OG1 3.26Å; N389-T635 PolarHBondContact ND2-O 2.87Å; N389-T635 PolarHBondContact OD1-N 2.97Å
636	V	92.2	Very high	74.6	Confident	3 Å²	3	54.8 Å²	54.8	2%	0.018	33%	0.325	C	S	.	.			trans	-146.8	148.6	-178.6	61.9	0	0	0	0	108.3	M361 L372 P416	M361-V636 HydrophobicContact SD-CG1 3.95Å; L372-V636 HydrophobicContact CD1-CG1 4.28Å; L372-V636 HydrophobicContact CD1-CG2 4.31Å; L372-V636 HydrophobicContact CD2-CG2 4.02Å; P416-V636 HydrophobicContact CB-CB 3.87Å; P416-V636 HydrophobicContact CB-CG2 3.81Å
637	F	86.6	Confident	71.9	Confident	100 Å²	100	58 Å²	58	44%	0.439	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-70.7	130	170.6	-70.9	-61.5	0	0	0	109.2	I335 R336	I335-F637 HydrophobicContact CG2-CD1 4.43Å; I335-F637 HydrophobicContact CG2-CD2 3.81Å; I335-F637 HydrophobicContact CG2-CE1 3.95Å; I335-F637 HydrophobicContact CG2-CE2 3.27Å; I335-F637 HydrophobicContact CG2-CG 4.36Å; I335-F637 HydrophobicContact CG2-CZ 3.34Å; R336-F637 HydrophobicContact CB-CZ 4.34Å; R336-F637 WeakPolarHBondContact O-CE1 3.4Å
638	P	82	Confident	69.5	Low	47 Å²	47	70.1 Å²	70.1	31%	0.305	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-53.3	136.3	166.8	-23.4	33.3	0	0	0	109	M361 E640	M361-P638 HydrophobicContact CE-CB 4.4Å; M361-P638 HydrophobicContact CE-CG 4.26Å; M361-P638 HydrophobicContact SD-CB 4.3Å; P638-E640 PolarHBondContact O-N 2.88Å
639	P	80.8	Confident	66.6	Low	42 Å²	42	77 Å²	77	27%	0.273	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-51.5	134.3	168.7	-18.8	28.2	0	0	0	108.4	K370 S371 L372 D641	K370-P639 HydrophobicContact CB-CG 4.16Å; S371-P639 VanDerWaalsContact O-CG 3.26Å; S371-P639 WeakPolarHBondContact O-CG 3.44Å; L372-P639 HydrophobicContact CD2-CG 4.1Å; P639-D641 PolarHBondContact O-N 3.19Å
640	E	70.9	Confident	63.7	Low	131 Å²	131	80.9 Å²	80.9	61%	0.612	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-58.7	138.2	168.1	-66.1	-172	168.8	0	0	107.6	H251 P638 N642	H251-E640 IonicContact CE1-OE1 2.8Å; H251-E640 PolarHBondContact CE1-OE1 3.13Å; H251-E640 IonicContact CG-OE1 2.83Å; H251-E640 IonicContact ND1-OE1 2.98Å; H251-E640 PolarHBondContact ND1-OE1 3.02Å; P638-E640 PolarHBondContact O-N 2.88Å; E640-N642 PolarHBondContact O-N 3.04Å
641	D	53.9	Low	60.8	Low	117 Å²	117	85.5 Å²	85.5	63%	0.626	49%	0.487	S	S	*	.			trans	-63.7	88.6	174	-65.6	-29.9	0	0	0	106.8	K370 P639 T643	K370-D641 IonicContact NZ-OD1 3.97Å; K370-D641 PolarHBondContact NZ-OD1 3.34Å; K370-D641 IonicContact NZ-OD2 2.63Å; P639-D641 PolarHBondContact O-N 3.19Å; D641-T643 VanDerWaalsContact C-N 3.3Å; D641-T643 PolarHBondContact O-N 2.64Å
642	N	39	Very low	58.2	Low	139 Å²	139	91.6 Å²	91.6	74%	0.743	52%	0.518	S	S	*	.			trans	-57.8	105.2	165.3	-92.4	-15.2	0	0	0	105.1	E640 G644	E640-N642 PolarHBondContact O-N 3.04Å; N642-G644 CarbonylContact O-C 3.54Å; N642-G644 WeakPolarHBondContact O-CA 3.21Å; N642-G644 PolarHBondContact O-N 3.17Å
643	T	34	Very low	55.3	Low	151 Å²	151	95.8 Å²	95.8	93%	0.926	55%	0.547	S	S	*	.	S	Bend	trans	-59.3	86.9	160.4	49.8	0	0	0	0	106.4	D641	D641-T643 VanDerWaalsContact C-N 3.3Å; D641-T643 PolarHBondContact O-N 2.64Å
644	G	31.4	Very low	52	Low	54 Å²	54	98.1 Å²	98.1	56%	0.557	57%	0.571	S	S	*	*			trans	158.8	47	-158	0	0	0	0	0	108.2	N642 P646	N642-G644 CarbonylContact O-C 3.54Å; N642-G644 WeakPolarHBondContact O-CA 3.21Å; N642-G644 PolarHBondContact O-N 3.17Å; G644-P646 VanDerWaalsContact O-CD 3.28Å; G644-P646 WeakPolarHBondContact O-CD 3.39Å; G644-P646 VanDerWaalsContact O-N 3.14Å
645	S	27.6	Very low	49.2	Very low	104 Å²	104	107.9 Å²	107.9	73%	0.727	64%	0.635	S	S	*	*			trans	-47.9	121.6	158.5	51.5	0	0	0	0	106.7	S647	S645-S647 PolarHBondContact O-N 3.46Å
646	P	32.3	Very low	46.9	Very low	117 Å²	117	111.8 Å²	111.8	76%	0.76	66%	0.657	S	S	*	*			trans	-56.2	130.3	142.8	-2.6	20.1	0	0	0	103.6	G644 R648	G644-P646 VanDerWaalsContact O-CD 3.28Å; G644-P646 WeakPolarHBondContact O-CD 3.39Å; G644-P646 VanDerWaalsContact O-N 3.14Å; P646-R648 PolarHBondContact O-N 3.19Å
647	S	32.7	Very low	44.5	Very low	72 Å²	72	117.5 Å²	117.5	50%	0.503	69%	0.691	S	S	.	*			trans	-36.7	146.2	166.1	32.9	0	0	0	0	109.9	S645 E649	S645-S647 PolarHBondContact O-N 3.46Å; S647-E649 PolarHBondContact O-N 3.48Å; S647-E649 PolarHBondContact OG-OE1 2.88Å
648	R	37.3	Very low	42.1	Very low	255 Å²	255	118.5 Å²	118.5	96%	0.962	71%	0.705	S	S	*	*			trans	-57.2	71.6	156.9	-85.2	172.9	135.6	-177	-2.6	108.4	P646	P646-R648 PolarHBondContact O-N 3.19Å
649	E	28.3	Very low	39.8	Very low	146 Å²	146	122.7 Å²	122.7	68%	0.682	73%	0.729	S	S	*	*			trans	-95	101.4	161.5	-81	178.6	-155.2	0	0	104.9	S647	S647-E649 PolarHBondContact O-N 3.48Å; S647-E649 PolarHBondContact OG-OE1 2.88Å
650	S	31.5	Very low	37.2	Very low	84 Å²	84	127.8 Å²	127.8	59%	0.587	76%	0.757	S	S	*	*			trans	-39	137.4	153.5	-57.3	0	0	0	0	108.5	L652	S650-L652 PolarHBondContact O-N 2.71Å
651	P	33.1	Very low	35	Very low	134 Å²	134	127.5 Å²	127.5	87%	0.87	77%	0.767	S	S	*	*	S	Bend	trans	-73.4	57.2	172.2	31.4	-33.5	0	0	0	109.9
652	L	42.1	Very low	33.6	Very low	136 Å²	136	128.3 Å²	128.3	71%	0.712	78%	0.777	S	S	*	*			trans	-153.9	65.2	-176.7	-75.8	175.3	0	0	0	109.3	S650	S650-L652 PolarHBondContact O-N 2.71Å
653	S	36.2	Very low	33.2	Very low	103 Å²	103	127.5 Å²	127.5	72%	0.72	78%	0.779	S	S	*	*			trans	-171	86.7	154	47.7	0	0	0	0	112.6
654	A	28.9	Very low	33.2	Very low	96 Å²	96	125.5 Å²	125.5	79%	0.793	77%	0.767	S	S	*	*			trans	-163.8	150.9	137.1	0	0	0	0	0	108
655	P	36.5	Very low	33.3	Very low	205 Å²	205	132 Å²	132	100%	1.331	79%	0.786	S	S	*	*			trans	-73.9	0	-132	30	-36	0	0	0	116.5

Retrieved 655 of 655 residues in 412.9 ms (Link to these results)

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