A0A087Y1Q0_POEFO Loading...

Phospholipase

AlphaFold DB , UniProt , Accession A0A087Y1Q0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,061 aa.

						>A0A087Y1Q0_POEFO|A0A087Y1Q0
MLDKAQPTASNLNLVNAEVSETRAASDTLDGIDMADLVESLDARELDLEEGEELDYDGNYLGDCRIPFSAVYATVGFKEASAKVYLPTVPITAKILEVERFTTAQDRFNLSQHRSVNKSLPAVFKIEMKHGEFTWLVKRKEKHFLELHRELRTYKTLMRIPLPSRSHTVRRKTVRKSEVREMPSLPRGGGDELARDEQVSSRRRQLEDYINTLLKMAMYRKYHHTMEFIDVSQLSFIHDLGPKGLEGMIYKRSGGHRIPGMNCCGQGQACYRWSKRWLVVKDSFLLYMKPDSGAISFVLLVDKEFSIKMDSKETETQHGVRVDSLSRTLVFKCSSYRHARWWGQSIESFVRSHGKAFLREHRFGSFAQEQENVPAKWYVNGKTYMEDVADALEEAKEEIFITDWWLSPEIFLKRPVVEGNRWRLDCILKRKASQQQGVRIFVMLYKEVELALGINSGYSKRTLMHLHPNIKVMRHPDHVSSSVYLWAHHEKIVVIDQSVAFVGGIDLAYGRWDDKEHRLTDVGSVTRSVALEQASSASASASPPSSDKGVSAVHDVPQSNGLGTPTPDAAELPKLKGVGRSRMVRFSLYRHLQKHTLQHVDSVSSVDSAESGSVKSLKTGVGELQGNTRFWHGKDYCNFVYKDWIQLEKPFDDFIDRYTTPRMPWHDIASVVHGRGARDVARHFIQRWNFTKIMKPKYRSLSYPFLLPKSHSSADELKYQVPGCVNAKVQVLRSSADWSAGIKYYEESIHNAYIQVIAKSKHYVYIENQFFISCADNRTVYNKIGDAIIERIIRAHKEGKKYRVYVVTPLLPGFEGDITTGGGNAIQAVMHFNYRTMIRGEYSIISQLKKEMDDQWMNYISFAGLRTHAELEGRLVTELIYVHSKMLIADDNTVIIGSANINDRSMLGKRDSEVAVIVEDSEKVSSVMDGQEYQAGPYALELRLECFRTILGGHTDTSIDLSDPVSDRFYKEVWMTTAGRNATIYEKVFRCLPSSLVRNMSELEQFQSKPGLAQTEKARAQEELRKIRGFLVQFPLDFLSEHNLMPSVGSKEAMVPTEIWT
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.8	Very low	30.8	Very low	226 Å²	226	144.6 Å²	144.6	100%	1.113	83%	0.827	S	S	*	*				0	95.9	0	-72.3	-178	177.1	0	0	106.1
2	L	31	Very low	30.5	Very low	147 Å²	147	145.3 Å²	145.3	77%	0.77	82%	0.824	S	S	*	*				70.5	124.1	106	-62.3	158.9	0	0	0	109.9
3	D	29.6	Very low	30.2	Very low	131 Å²	131	144.2 Å²	144.2	70%	0.701	82%	0.815	S	S	*	*			cis	-163.9	163.6	8.8	-110.7	-35.5	0	0	0	112.6
4	K	32.8	Very low	30	Very low	192 Å²	192	144.2 Å²	144.2	84%	0.835	81%	0.811	S	S	*	*			trans	-35.1	150.8	160.1	-69.3	159.6	170.9	179	0	116.2
5	A	31.4	Very low	29.9	Very low	100 Å²	100	144.3 Å²	144.3	83%	0.826	82%	0.815	S	S	*	*				176.8	131.3	107.2	0	0	0	0	0	113.9
6	Q	31.2	Very low	29.7	Very low	182 Å²	182	143.3 Å²	143.3	85%	0.85	81%	0.807	S	S	*	*			trans	-76.9	165.4	153.3	-75.9	179.5	-39	0	0	110.5
7	P	37.4	Very low	29.6	Very low	113 Å²	113	140.9 Å²	140.9	73%	0.734	81%	0.809	S	S	*	*				-134.5	126.8	117.3	9.3	13.5	0	0	0	112
8	T	29.3	Very low	29.5	Very low	132 Å²	132	142.9 Å²	142.9	81%	0.81	81%	0.811	S	S	*	*				71.8	125.6	94.8	59.2	0	0	0	0	117.1
9	A	29.2	Very low	29.4	Very low	98 Å²	98	143.1 Å²	143.1	81%	0.81	82%	0.815	S	S	*	*			trans	-75	161.6	175.6	0	0	0	0	0	114
10	S	27.2	Very low	29.3	Very low	122 Å²	122	140.8 Å²	140.8	85%	0.853	81%	0.808	S	S	*	*			trans	-138.3	121.3	150.4	51.9	0	0	0	0	110.7
11	N	27.2	Very low	29.2	Very low	148 Å²	148	143.4 Å²	143.4	79%	0.791	81%	0.813	S	S	*	*			trans	-75.5	155.8	165.4	-78.9	-37.5	0	0	0	110.3
12	L	26.8	Very low	29	Very low	152 Å²	152	138.3 Å²	138.3	80%	0.796	79%	0.794	S	S	*	*				177	111.9	120.8	-93.6	156.1	0	0	0	113.3
13	N	26.4	Very low	28.8	Very low	131 Å²	131	142.8 Å²	142.8	70%	0.701	80%	0.801	S	S	*	*				51.5	114	129.6	-65.1	-3.8	0	0	0	123.6
14	L	28.3	Very low	28.6	Very low	145 Å²	145	141.1 Å²	141.1	76%	0.759	81%	0.805	S	S	*	*				28	122.7	108.4	-88.5	146.5	0	0	0	119.3
15	V	28.3	Very low	28.7	Very low	145 Å²	145	137 Å²	137	88%	0.879	81%	0.807	S	S	*	*			trans	-138	137	138.2	-178.5	0	0	0	0	110.1
16	N	27.1	Very low	28.3	Very low	129 Å²	129	137.5 Å²	137.5	69%	0.69	81%	0.805	S	S	*	*			trans	-64.3	156.9	-176	-62.3	-35.6	0	0	0	115.4
17	A	27.1	Very low	28.4	Very low	102 Å²	102	136.5 Å²	136.5	84%	0.843	81%	0.805	S	S	*	*			trans	-145.9	103.5	136.6	0	0	0	0	0	109.2
18	E	27.7	Very low	27.9	Very low	178 Å²	178	137.9 Å²	137.9	83%	0.832	81%	0.812	S	S	*	*			trans	-72	136.5	162	-68.7	175.5	141.3	0	0	109.2
19	V	28.9	Very low	28.1	Very low	146 Å²	146	138.9 Å²	138.9	89%	0.885	81%	0.811	S	S	*	*			trans	-139.8	115.4	142	179.7	0	0	0	0	107.2
20	S	27.2	Very low	29.1	Very low	97 Å²	97	140.8 Å²	140.8	68%	0.678	81%	0.808	S	S	*	*			trans	-76.9	145.4	167	74.8	0	0	0	0	110
21	E	27.3	Very low	29.4	Very low	195 Å²	195	138.5 Å²	138.5	91%	0.911	80%	0.803	S	S	*	*			trans	-160	154	132.1	-115	173	-165.5	0	0	111.4
22	T	27.6	Very low	30.2	Very low	119 Å²	119	136.2 Å²	136.2	73%	0.73	79%	0.79	S	S	*	*			trans	-121	153.3	-155.1	-30.6	0	0	0	0	109.7
23	R	26.9	Very low	31.1	Very low	242 Å²	242	133.4 Å²	133.4	91%	0.913	78%	0.776	S	S	*	*			trans	81.2	143.2	163.5	-58.5	-179.8	169.8	172.5	-3.6	114.9
24	A	25.8	Very low	32	Very low	95 Å²	95	132.3 Å²	132.3	79%	0.785	77%	0.768	S	S	*	*			cis	-154.8	165.8	16.9	0	0	0	0	0	110.2
25	A	33.5	Very low	32.8	Very low	106 Å²	106	128.1 Å²	128.1	88%	0.876	76%	0.755	S	S	*	*			trans	-66.4	138.2	172.8	0	0	0	0	0	112.9
26	S	25	Very low	33.9	Very low	110 Å²	110	126.4 Å²	126.4	77%	0.769	74%	0.74	S	S	*	*			trans	-152.9	127.1	150.4	64.1	0	0	0	0	110.8
27	D	33.1	Very low	35.1	Very low	162 Å²	162	120.8 Å²	120.8	87%	0.866	71%	0.71	S	S	*	*			trans	-46.3	138.5	169.3	-80.9	-46.1	0	0	0	113.4
28	T	26.8	Very low	36.2	Very low	141 Å²	141	120.1 Å²	120.1	87%	0.865	70%	0.695	S	S	*	*			trans	-157.8	142.1	145.7	19.9	0	0	0	0	112.5
29	L	33.8	Very low	37.2	Very low	154 Å²	154	119.9 Å²	119.9	81%	0.806	69%	0.694	S	S	*	*			trans	-61.3	155	-177.4	-89.2	77.2	0	0	0	116	G31	L29-G31 PolarHBondContact O-N 3.05Å
30	D	48.1	Very low	38.1	Very low	137 Å²	137	116.3 Å²	116.3	73%	0.733	68%	0.676	S	S	*	*			trans	29.8	75.1	139.5	-75.3	-18.3	0	0	0	116.9
31	G	33.7	Very low	39.1	Very low	74 Å²	74	115.1 Å²	115.1	76%	0.763	66%	0.662	S	S	*	*			trans	-107.1	100.1	154.7	0	0	0	0	0	109.1	L29 D33	L29-G31 PolarHBondContact O-N 3.05Å; G31-D33 PolarHBondContact O-N 2.97Å
32	I	45.8	Very low	40.4	Very low	100 Å²	100	107.5 Å²	107.5	51%	0.513	63%	0.627	S	S	.	*			trans	-69.8	114.7	160.2	-63.6	174.5	0	0	0	105.2	M34 L37	I32-M34 PolarHBondContact O-N 3.08Å; I32-M34 VanDerWaalsContact O-N 3.16Å; I32-L37 HydrophobicContact CG2-CB 4.34Å; I32-L37 HydrophobicContact CG2-CD1 4.09Å
33	D	44.2	Very low	41.5	Very low	94 Å²	94	105.2 Å²	105.2	50%	0.503	62%	0.62	S	S	.	*			trans	-61	118.1	173.8	-169.7	-12.1	0	0	0	108.8	G31 A35 D36 L37	G31-D33 PolarHBondContact O-N 2.97Å; D33-A35 PolarHBondContact O-N 3.25Å; D33-A35 WeakPolarHBondContact OD1-CB 3.38Å; D33-A35 PolarHBondContact OD1-N 3.42Å; D33-D36 HydrophobicContact CB-CB 4.29Å; D33-D36 PolarHBondContact O-N 3.38Å; D33-L37 PolarHBondContact O-N 3.35Å; D33-L37 VanDerWaalsContact O-N 3.12Å
34	M	45.3	Very low	42.7	Very low	107 Å²	107	99.5 Å²	99.5	53%	0.527	60%	0.599	S	S	.	*	H	α-helix	trans	-66.7	-22.1	-179.3	-72.8	-73.7	-75.5	0	0	111.4	I32 L37 V38 I160	I32-M34 PolarHBondContact O-N 3.08Å; I32-M34 VanDerWaalsContact O-N 3.16Å; M34-L37 HydrophobicContact SD-CD2 4.15Å; M34-V38 WeakPolarHBondContact O-CB 3.29Å; M34-V38 WeakPolarHBondContact O-CG2 3.31Å; M34-V38 PolarHBondContact O-N 2.55Å; M34-V38 VanDerWaalsContact O-N 3.15Å; M34-I160 HydrophobicContact CE-CD1 4.22Å
35	A	46.3	Very low	44	Very low	58 Å²	58	96.5 Å²	96.5	48%	0.479	57%	0.568	S	S	.	*	H	α-helix	trans	-70.5	-48.9	175.1	0	0	0	0	0	111.5	D33 L37 V38 E39	D33-A35 PolarHBondContact O-N 3.25Å; D33-A35 WeakPolarHBondContact OD1-CB 3.38Å; D33-A35 PolarHBondContact OD1-N 3.42Å; A35-L37 VanDerWaalsContact C-N 3.28Å; A35-L37 PolarHBondContact O-N 2.94Å; A35-V38 PolarHBondContact O-N 3.08Å; A35-E39 PolarHBondContact O-N 3.24Å
36	D	50.7	Low	44.9	Very low	108 Å²	108	92 Å²	92	58%	0.578	53%	0.529	S	S	*	.	H	α-helix	trans	-62	-36.4	175	-79.6	-11.2	0	0	0	111.9	D33 E39 S40	D33-D36 HydrophobicContact CB-CB 4.29Å; D33-D36 PolarHBondContact O-N 3.38Å; D36-E39 PolarHBondContact O-N 3.38Å; D36-S40 WeakPolarHBondContact O-CB 3.5Å; D36-S40 PolarHBondContact O-N 3.22Å; D36-S40 VanDerWaalsContact O-N 3.07Å; D36-S40 PolarHBondContact O-OG 2.75Å
37	L	52	Low	45.9	Very low	11 Å²	11	91 Å²	91	6%	0.058	52%	0.515	C	S	.	.	H	α-helix	trans	-65.2	-39	176.9	-165.5	78.8	0	0	0	111.8	I32 D33 M34 A35 S40 T153 L157 I160	I32-L37 HydrophobicContact CG2-CB 4.34Å; I32-L37 HydrophobicContact CG2-CD1 4.09Å; D33-L37 PolarHBondContact O-N 3.35Å; D33-L37 VanDerWaalsContact O-N 3.12Å; M34-L37 HydrophobicContact SD-CD2 4.15Å; A35-L37 VanDerWaalsContact C-N 3.28Å; A35-L37 PolarHBondContact O-N 2.94Å; L37-S40 PolarHBondContact O-N 2.68Å; L37-S40 PolarHBondContact O-OG 3.46Å; L37-T153 HydrophobicContact CD1-CG2 3.58Å; L37-L157 HydrophobicContact CD2-CD2 4.2Å; L37-L157 HydrophobicContact CG-CD2 4.23Å; L37-I160 HydrophobicContact CD2-CD1 3.72Å
38	V	50.8	Low	46.8	Very low	88 Å²	88	85.7 Å²	85.7	53%	0.533	49%	0.487	S	S	.	.	H	α-helix	trans	-74.2	-35	178.8	171.1	0	0	0	0	111.7	M34 A35 S40 L41	M34-V38 WeakPolarHBondContact O-CB 3.29Å; M34-V38 WeakPolarHBondContact O-CG2 3.31Å; M34-V38 PolarHBondContact O-N 2.55Å; M34-V38 VanDerWaalsContact O-N 3.15Å; A35-V38 PolarHBondContact O-N 3.08Å; V38-S40 VanDerWaalsContact C-N 3.31Å; V38-S40 PolarHBondContact O-N 3.04Å; V38-L41 HydrophobicContact CB-CD1 4.18Å; V38-L41 HydrophobicContact CG1-CD1 3.88Å; V38-L41 HydrophobicContact CG2-CD1 4.37Å; V38-L41 WeakPolarHBondContact O-CB 3.36Å; V38-L41 VanDerWaalsContact O-CD1 3.22Å; V38-L41 WeakPolarHBondContact O-CD1 3.32Å; V38-L41 WeakPolarHBondContact O-CG 3.31Å; V38-L41 PolarHBondContact O-N 3.32Å
39	E	47.8	Very low	47.5	Very low	173 Å²	173	87.4 Å²	87.4	81%	0.808	49%	0.485	S	S	*	.	H	α-helix	trans	-69.6	-26.5	172.2	-80.9	-167.5	157	0	0	113.2	A35 D36 L41	A35-E39 PolarHBondContact O-N 3.24Å; D36-E39 PolarHBondContact O-N 3.38Å; E39-L41 VanDerWaalsContact C-N 3.27Å; E39-L41 PolarHBondContact O-N 3.06Å
40	S	47.6	Very low	47.9	Very low	71 Å²	71	85.2 Å²	85.2	50%	0.497	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	0.6	176.1	75.9	0	0	0	0	115.1	D36 L37 V38 D42	D36-S40 WeakPolarHBondContact O-CB 3.5Å; D36-S40 PolarHBondContact O-N 3.22Å; D36-S40 VanDerWaalsContact O-N 3.07Å; D36-S40 PolarHBondContact O-OG 2.75Å; L37-S40 PolarHBondContact O-N 2.68Å; L37-S40 PolarHBondContact O-OG 3.46Å; V38-S40 VanDerWaalsContact C-N 3.31Å; V38-S40 PolarHBondContact O-N 3.04Å; S40-D42 PolarHBondContact O-N 3.09Å
41	L	49.3	Very low	47.4	Very low	73 Å²	73	82 Å²	82	38%	0.382	47%	0.469	S	S	.	.			trans	-65.3	101.1	-175.8	-72.8	170.3	0	0	0	112.6	V38 E39 L157	V38-L41 HydrophobicContact CB-CD1 4.18Å; V38-L41 HydrophobicContact CG1-CD1 3.88Å; V38-L41 HydrophobicContact CG2-CD1 4.37Å; V38-L41 WeakPolarHBondContact O-CB 3.36Å; V38-L41 VanDerWaalsContact O-CD1 3.22Å; V38-L41 WeakPolarHBondContact O-CD1 3.32Å; V38-L41 WeakPolarHBondContact O-CG 3.31Å; V38-L41 PolarHBondContact O-N 3.32Å; E39-L41 VanDerWaalsContact C-N 3.27Å; E39-L41 PolarHBondContact O-N 3.06Å; L41-L157 HydrophobicContact CD2-CD2 3.86Å
42	D	54.1	Low	47.5	Very low	35 Å²	35	86.5 Å²	86.5	19%	0.187	47%	0.47	C	S	.	.			trans	-88.8	104.9	160.4	-168.3	-15.8	0	0	0	108.3	S40 R44 E45 K78	S40-D42 PolarHBondContact O-N 3.09Å; D42-R44 PolarHBondContact O-N 3.31Å; D42-R44 WeakPolarHBondContact OD1-CB 3.27Å; D42-R44 IonicContact OD1-CZ 3.99Å; D42-R44 PolarHBondContact OD1-N 2.96Å; D42-R44 IonicContact OD1-NE 2.72Å; D42-R44 PolarHBondContact OD1-NE 3.37Å; D42-R44 IonicContact OD1-NH2 3.51Å; D42-R44 PolarHBondContact OD1-NH2 3.46Å; D42-R44 IonicContact OD2-CZ 3.53Å; D42-R44 IonicContact OD2-NE 2.83Å; D42-R44 IonicContact OD2-NH2 3.33Å; D42-R44 PolarHBondContact OD2-NH2 2.78Å; D42-E45 HydrophobicContact CB-CG 4.04Å; D42-E45 WeakPolarHBondContact O-CB 3.21Å; D42-E45 PolarHBondContact O-N 2.86Å; D42-K78 IonicContact OD2-NZ 3.53Å; D42-K78 PolarHBondContact OD2-NZ 2.9Å
43	A	50.2	Low	47.3	Very low	70 Å²	70	87.8 Å²	87.8	58%	0.579	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-53.4	-22.9	-177.6	0	0	0	0	0	113.6	E45 L46	A43-E45 VanDerWaalsContact C-N 3.33Å; A43-E45 PolarHBondContact O-N 3.1Å; A43-L46 PolarHBondContact O-N 2.91Å
44	R	53.9	Low	46.7	Very low	123 Å²	123	89.6 Å²	89.6	46%	0.464	48%	0.484	S	S	.	.	G	3₁₀ helix	trans	-71.4	-21.9	177.2	-63.1	173.3	-68.3	-175.7	0.7	113.9	D42 L46 D47	D42-R44 PolarHBondContact O-N 3.31Å; D42-R44 WeakPolarHBondContact OD1-CB 3.27Å; D42-R44 IonicContact OD1-CZ 3.99Å; D42-R44 PolarHBondContact OD1-N 2.96Å; D42-R44 IonicContact OD1-NE 2.72Å; D42-R44 PolarHBondContact OD1-NE 3.37Å; D42-R44 IonicContact OD1-NH2 3.51Å; D42-R44 PolarHBondContact OD1-NH2 3.46Å; D42-R44 IonicContact OD2-CZ 3.53Å; D42-R44 IonicContact OD2-NE 2.83Å; D42-R44 IonicContact OD2-NH2 3.33Å; D42-R44 PolarHBondContact OD2-NH2 2.78Å; R44-L46 PolarHBondContact O-N 2.73Å; R44-D47 PolarHBondContact O-N 2.88Å
45	E	52.9	Low	46	Very low	31 Å²	31	92.1 Å²	92.1	15%	0.145	50%	0.499	C	S	.	.	G	3₁₀ helix	trans	-71.8	-10.1	177.3	-66.6	-175.6	-171.4	0	0	112.9	D42 A43 K78 H223	D42-E45 HydrophobicContact CB-CG 4.04Å; D42-E45 WeakPolarHBondContact O-CB 3.21Å; D42-E45 PolarHBondContact O-N 2.86Å; A43-E45 VanDerWaalsContact C-N 3.33Å; A43-E45 PolarHBondContact O-N 3.1Å; E45-K78 HydrophobicContact CG-CD 4.2Å; E45-K78 WeakPolarHBondContact OE1-CE 3.43Å; E45-K78 IonicContact OE1-NZ 2.8Å; E45-K78 PolarHBondContact OE1-NZ 3.37Å; E45-H223 IonicContact OE1-CE1 3.88Å; E45-H223 IonicContact OE1-NE2 3.88Å
46	L	51.6	Low	45.4	Very low	12 Å²	12	98.2 Å²	98.2	6%	0.063	51%	0.511	C	S	.	.	G	3₁₀ helix	trans	-112.1	6.3	-176.6	-64.5	170.9	0	0	0	113	A43 R44 L157 M158 L162 R170	A43-L46 PolarHBondContact O-N 2.91Å; R44-L46 PolarHBondContact O-N 2.73Å; L46-L157 HydrophobicContact CD2-CB 4.41Å; L46-M158 HydrophobicContact CD2-SD 3.88Å; L46-L162 HydrophobicContact CD1-CD1 3.36Å; L46-R170 VanDerWaalsContact C-NH2 3.27Å; L46-R170 PolarHBondContact O-NH1 3.47Å; L46-R170 PolarHBondContact O-NH2 3.18Å
47	D	46.8	Very low	44.4	Very low	89 Å²	89	100.5 Å²	100.5	48%	0.476	52%	0.523	S	S	.	.			trans	-95.7	126.3	168.6	-84.1	-28	0	0	0	109.3	R44 A80 R170	R44-D47 PolarHBondContact O-N 2.88Å; D47-A80 WeakPolarHBondContact O-CB 3.24Å; D47-R170 VanDerWaalsContact CA-NH1 3.31Å
48	L	50.5	Low	44	Very low	50 Å²	50	103.1 Å²	103.1	26%	0.262	55%	0.553	S	S	.	*			trans	-145.1	107.5	173.2	-57.2	152.1	0	0	0	102	A80 R170	L48-A80 HydrophobicContact CB-CB 4.01Å; L48-A80 HydrophobicContact CD2-CB 3.65Å; L48-A80 HydrophobicContact CG-CB 4.05Å; L48-R170 VanDerWaalsContact CA-CZ 3.49Å; L48-R170 VanDerWaalsContact CB-CZ 3.41Å; L48-R170 VanDerWaalsContact CD1-NH2 3.28Å; L48-R170 WeakPolarHBondContact O-CD 3.34Å; L48-R170 VanDerWaalsContact O-CZ 3.31Å; L48-R170 PolarHBondContact O-NE 3.41Å; L48-R170 PolarHBondContact O-NH1 3.12Å
49	E	42.2	Very low	43.1	Very low	178 Å²	178	105.9 Å²	105.9	83%	0.832	57%	0.565	S	S	*	*			trans	-78.9	121.8	165.8	-70.9	-175.4	157.6	0	0	107.2	G51	E49-G51 PolarHBondContact O-N 3.37Å
50	E	42.5	Very low	42.7	Very low	108 Å²	108	107 Å²	107	51%	0.505	56%	0.563	S	S	.	*			trans	-72.7	102.1	166.1	-80.6	169.5	161.1	0	0	107.6	T173	E50-T173 PolarHBondContact OE1-OG1 3.14Å; E50-T173 WeakPolarHBondContact OE2-CB 3.43Å; E50-T173 PolarHBondContact OE2-OG1 3.43Å
51	G	37.8	Very low	42.4	Very low	68 Å²	68	112.5 Å²	112.5	70%	0.701	59%	0.586	S	S	*	*			trans	-74.1	113.4	140.8	0	0	0	0	0	105.8	E49 E53	E49-G51 PolarHBondContact O-N 3.37Å; G51-E53 PolarHBondContact O-N 2.71Å
52	E	36.1	Very low	42.1	Very low	169 Å²	169	112.1 Å²	112.1	79%	0.79	60%	0.599	S	S	*	*			trans	-52.3	108.8	168.2	-70.2	178.9	162.5	0	0	107.6	L54	E52-L54 PolarHBondContact O-N 3.5Å
53	E	40.4	Very low	41.8	Very low	128 Å²	128	117 Å²	117	60%	0.598	63%	0.625	S	S	*	*			trans	-66.1	87.5	153.4	-80.7	176	-159.7	0	0	104.2	G51 D55 K221	G51-E53 PolarHBondContact O-N 2.71Å; E53-D55 PolarHBondContact O-N 2.81Å; E53-K221 IonicContact OE1-NZ 3.28Å
54	L	31.4	Very low	42.7	Very low	132 Å²	132	116.3 Å²	116.3	69%	0.691	62%	0.616	S	S	*	*			trans	-50.3	121.5	155.5	-82.3	160.1	0	0	0	105	E52 Y56	E52-L54 PolarHBondContact O-N 3.5Å; L54-Y56 PolarHBondContact O-N 3.16Å
55	D	32.2	Very low	44.2	Very low	160 Å²	160	116.7 Å²	116.7	86%	0.856	62%	0.617	S	S	*	*			trans	-54.9	89.6	163.2	-78.5	-40.1	0	0	0	106.4	E53 D57	E53-D55 PolarHBondContact O-N 2.81Å; D55-D57 PolarHBondContact O-N 3.38Å
56	Y	32	Very low	46	Very low	185 Å²	185	116.3 Å²	116.3	73%	0.725	62%	0.616	S	S	*	*			trans	-78.4	103.1	178.4	-154.5	-90	0	0	0	105.6	L54 G58	L54-Y56 PolarHBondContact O-N 3.16Å; Y56-G58 PolarHBondContact O-N 2.96Å
57	D	31.2	Very low	47.9	Very low	156 Å²	156	119.2 Å²	119.2	83%	0.834	64%	0.636	S	S	*	*			trans	-49.9	125.8	174	-104.6	-25	0	0	0	109	D55 N59	D55-D57 PolarHBondContact O-N 3.38Å; D57-N59 PolarHBondContact O-N 2.95Å
58	G	42.8	Very low	50.2	Low	66 Å²	66	115 Å²	115	68%	0.68	61%	0.613	S	S	*	*	S	Bend	trans	-57.9	124	-172.7	0	0	0	0	0	111.9	Y56	Y56-G58 PolarHBondContact O-N 2.96Å
59	N	32.8	Very low	52.3	Low	147 Å²	147	115.1 Å²	115.1	79%	0.786	62%	0.618	S	S	*	*			trans	-166.4	30.2	148.3	-107.4	-10.1	0	0	0	116.5	D57	D57-N59 PolarHBondContact O-N 2.95Å
60	Y	38	Very low	54.7	Low	196 Å²	196	108 Å²	108	77%	0.769	59%	0.59	S	S	*	*			trans	-139.5	115.2	163.8	-69.6	-81.3	0	0	0	110.7	G62	Y60-G62 PolarHBondContact O-N 3.49Å
61	L	41.8	Very low	57.3	Low	186 Å²	186	103.2 Å²	103.2	97%	0.974	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.3	4.5	173.5	-96.5	126.5	0	0	0	114.2
62	G	41.9	Very low	59.9	Low	65 Å²	65	101.6 Å²	101.6	67%	0.67	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-19.9	-170.2	0	0	0	0	0	116.8	Y60	Y60-G62 PolarHBondContact O-N 3.49Å
63	D	49.3	Very low	62.6	Low	137 Å²	137	97 Å²	97	73%	0.733	53%	0.532	S	S	*	.	S	Bend	trans	-100.8	13.2	-165.9	-102.9	-13.4	0	0	0	115.9
64	C	69.4	Low	65.1	Low	57 Å²	57	92.3 Å²	92.3	39%	0.385	51%	0.512	S	S	.	.	S	Bend	trans	-91.1	12.5	-178.6	-64.9	0	0	0	0	115.2	V89	C64-V89 HydrophobicContact CB-CG2 4.41Å
65	R	84.1	Confident	68.1	Low	130 Å²	130	87.6 Å²	87.6	49%	0.491	49%	0.489	S	S	.	.			trans	-121.6	138.2	-176.2	-71.3	-176.7	171.6	-166.2	-4.6	112.1	E716	R65-E716 IonicContact CZ-OE1 2.97Å; R65-E716 IonicContact NH1-OE1 3.82Å; R65-E716 PolarHBondContact NH1-OE1 3.08Å; R65-E716 IonicContact NH1-OE2 2.86Å; R65-E716 PolarHBondContact NH1-OE2 3.33Å; R65-E716 IonicContact NH2-OE1 3.45Å; R65-E716 PolarHBondContact NH2-OE1 3.45Å
66	I	91.2	Very high	71	Confident	23 Å²	23	80.1 Å²	80.1	12%	0.118	45%	0.449	C	S	.	.			trans	-81.7	123.1	167.3	-64	165.7	0	0	0	108	A70 L86 F236 I237	I66-A70 HydrophobicContact CG2-CB 3.5Å; I66-A70 VanDerWaalsContact CG2-CB 3.5Å; I66-L86 HydrophobicContact CD1-CD2 3.93Å; I66-L86 HydrophobicContact CG1-CD2 3.85Å; I66-F236 HydrophobicContact CD1-CB 4.31Å; I66-I237 HydrophobicContact CB-CG1 4.34Å; I66-I237 HydrophobicContact CG2-CD1 4.46Å; I66-I237 HydrophobicContact CG2-CG1 3.86Å
67	P	92.1	Very high	73.7	Confident	73 Å²	73	72.8 Å²	72.8	47%	0.474	42%	0.421	S	S	.	.			trans	-67.5	154.1	-178.8	29	-35.8	0	0	0	111.3	S69 A70	P67-S69 PolarHBondContact O-N 3.09Å; P67-A70 VanDerWaalsContact O-CB 3.24Å; P67-A70 WeakPolarHBondContact O-CB 3.46Å; P67-A70 PolarHBondContact O-N 3.02Å; P67-A70 VanDerWaalsContact O-N 3.09Å
68	F	95.1	Very high	76.4	Confident	1 Å²	1	69.1 Å²	69.1	0%	0.004	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-60.8	-31.9	-180	-177	-94.5	0	0	0	112	A70 V71 I237 D239 L240 E397 E398 L707 K709	F68-A70 PolarHBondContact O-N 3.13Å; F68-V71 HydrophobicContact CD1-CG2 4.4Å; F68-V71 HydrophobicContact CE1-CG2 4.04Å; F68-V71 HydrophobicContact CE2-CG1 4.44Å; F68-V71 HydrophobicContact CZ-CG2 4.37Å; F68-V71 WeakPolarHBondContact O-CG1 3.22Å; F68-V71 VanDerWaalsContact O-CG2 3.28Å; F68-V71 WeakPolarHBondContact O-CG2 3.2Å; F68-V71 PolarHBondContact O-N 3.5Å; F68-V71 VanDerWaalsContact O-N 3.08Å; F68-I237 HydrophobicContact CD2-CG2 4.45Å; F68-D239 HydrophobicContact CB-CB 4.13Å; F68-D239 HydrophobicContact CD2-CB 3.65Å; F68-D239 HydrophobicContact CG-CB 4.3Å; F68-L240 HydrophobicContact CD2-CD2 4.21Å; F68-L240 HydrophobicContact CE2-CD2 3.56Å; F68-L240 HydrophobicContact CE2-CG 4.43Å; F68-L240 HydrophobicContact CZ-CD2 4.48Å; F68-E397 WeakPolarHBondContact CB-OE1 3.32Å; F68-E397 PolarHBondContact N-OE1 3.32Å; F68-E398 VanDerWaalsContact CE1-CD 3.47Å; F68-E398 HydrophobicContact CE1-CG 4.45Å; F68-E398 VanDerWaalsContact CE1-OE2 3.24Å; F68-E398 WeakPolarHBondContact CE1-OE2 3.25Å; F68-L707 HydrophobicContact CZ-CB 4.33Å; F68-L707 WeakPolarHBondContact CZ-O 3.41Å; F68-K709 HydrophobicContact CD2-CD 4.33Å; F68-K709 HydrophobicContact CD2-CG 3.83Å; F68-K709 HydrophobicContact CE2-CG 3.59Å; F68-K709 HydrophobicContact CG-CG 4.41Å; F68-K709 HydrophobicContact CZ-CG 4.05Å
69	S	93.3	Very high	78.4	Confident	53 Å²	53	69.3 Å²	69.3	37%	0.371	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-56.1	-18.9	177	61.3	0	0	0	0	114.4	P67 V71 Y72	P67-S69 PolarHBondContact O-N 3.09Å; S69-V71 PolarHBondContact O-N 3.18Å; S69-V71 VanDerWaalsContact O-N 3.16Å; S69-Y72 PolarHBondContact O-N 2.93Å; S69-Y72 VanDerWaalsContact O-N 3.09Å
70	A	93.9	Very high	80.4	Confident	28 Å²	28	64.2 Å²	64.2	23%	0.231	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-59.1	-23.3	174.6	0	0	0	0	0	113.5	I66 P67 F68 Y72 A73 I237	I66-A70 HydrophobicContact CG2-CB 3.5Å; I66-A70 VanDerWaalsContact CG2-CB 3.5Å; P67-A70 VanDerWaalsContact O-CB 3.24Å; P67-A70 WeakPolarHBondContact O-CB 3.46Å; P67-A70 PolarHBondContact O-N 3.02Å; P67-A70 VanDerWaalsContact O-N 3.09Å; F68-A70 PolarHBondContact O-N 3.13Å; A70-Y72 PolarHBondContact O-N 3.33Å; A70-A73 PolarHBondContact O-N 3.11Å; A70-I237 HydrophobicContact CB-CD1 4.23Å
71	V	95.6	Very high	82.4	Confident	8 Å²	8	57.9 Å²	57.9	5%	0.048	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-60.1	-18.6	175.3	-56.7	0	0	0	0	113.1	F68 S69 L234 I237 L240 L707	F68-V71 HydrophobicContact CD1-CG2 4.4Å; F68-V71 HydrophobicContact CE1-CG2 4.04Å; F68-V71 HydrophobicContact CE2-CG1 4.44Å; F68-V71 HydrophobicContact CZ-CG2 4.37Å; F68-V71 WeakPolarHBondContact O-CG1 3.22Å; F68-V71 VanDerWaalsContact O-CG2 3.28Å; F68-V71 WeakPolarHBondContact O-CG2 3.2Å; F68-V71 PolarHBondContact O-N 3.5Å; F68-V71 VanDerWaalsContact O-N 3.08Å; S69-V71 PolarHBondContact O-N 3.18Å; S69-V71 VanDerWaalsContact O-N 3.16Å; V71-L234 HydrophobicContact CB-CD2 4.48Å; V71-L234 HydrophobicContact CG1-CD2 4.14Å; V71-I237 HydrophobicContact CG1-CD1 3.72Å; V71-L240 HydrophobicContact CG1-CD1 4.17Å; V71-L240 HydrophobicContact CG1-CD2 4.47Å; V71-L707 HydrophobicContact CB-CD1 4.2Å; V71-L707 HydrophobicContact CG1-CD1 3.96Å
72	Y	94.1	Very high	84.4	Confident	34 Å²	34	50 Å²	50	13%	0.133	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-98.2	-2.2	179.4	-60.5	-60.3	0	0	0	114.6	S69 A70 E398 R439 F441 P704 L706	S69-Y72 PolarHBondContact O-N 2.93Å; S69-Y72 VanDerWaalsContact O-N 3.09Å; A70-Y72 PolarHBondContact O-N 3.33Å; Y72-E398 HydrophobicContact CE2-CG 4.4Å; Y72-E398 PolarHBondContact OH-OE1 2.86Å; Y72-R439 HydrophobicContact CD2-CG 3.86Å; Y72-R439 HydrophobicContact CE2-CB 4.39Å; Y72-R439 HydrophobicContact CE2-CG 4.01Å; Y72-R439 HydrophobicContact CG-CG 4.35Å; Y72-F441 AromaticContact CE1-CZ 3.97Å; Y72-F441 HydrophobicContact CE1-CZ 3.97Å; Y72-F441 AromaticContact CZ-CZ 3.88Å; Y72-P704 HydrophobicContact CD1-CB 3.87Å; Y72-P704 HydrophobicContact CD1-CG 3.93Å; Y72-P704 HydrophobicContact CE1-CB 3.78Å; Y72-P704 HydrophobicContact CE1-CG 3.64Å; Y72-L706 HydrophobicContact CE1-CD2 4.24Å; Y72-L706 WeakPolarHBondContact OH-CD2 3.29Å
73	A	91.9	Very high	86.5	Confident	73 Å²	73	55.4 Å²	55.4	60%	0.603	31%	0.31	S	S	*	.	S	Bend	trans	-122.5	34.5	-174.8	0	0	0	0	0	111.6	A70	A70-A73 PolarHBondContact O-N 3.11Å
74	T	93.4	Very high	88.5	Confident	29 Å²	29	49.3 Å²	49.3	18%	0.178	28%	0.278	C	S	.	.			trans	-77.9	142.8	178.5	63.4	0	0	0	0	111.9	L234 M288 G293	T74-L234 HydrophobicContact CG2-CD2 4.15Å; T74-M288 HydrophobicContact CG2-CE 3.98Å; T74-G293 WeakPolarHBondContact CB-O 3.45Å; T74-G293 PolarHBondContact OG1-O 3.05Å
75	V	93.8	Very high	89.6	Confident	33 Å²	33	47.8 Å²	47.8	20%	0.2	26%	0.264	C	S	.	.			trans	-123.5	171.2	178.9	-64	0	0	0	0	112.2	E79 A82 Q233 S292 G293	V75-E79 HydrophobicContact CB-CB 4.34Å; V75-E79 WeakPolarHBondContact CB-OE2 3.36Å; V75-E79 HydrophobicContact CG2-CB 4.11Å; V75-A82 VanDerWaalsContact CG2-CA 3.49Å; V75-A82 HydrophobicContact CG2-CB 3.69Å; V75-Q233 PolarHBondContact O-NE2 2.7Å; V75-S292 CarbonylContact C-O 3.53Å; V75-G293 WeakPolarHBondContact O-CA 3.42Å; V75-G293 PolarHBondContact O-N 3.39Å
76	G	92.6	Very high	89.9	Confident	2 Å²	2	42.2 Å²	42.2	2%	0.021	24%	0.244	C	C	.	.			trans	-53.4	143.8	174.5	0	0	0	0	0	112.7	K78 E79 D291	G76-K78 PolarHBondContact O-N 3.29Å; G76-K78 VanDerWaalsContact O-N 3.13Å; G76-E79 WeakPolarHBondContact CA-OE1 3.3Å; G76-E79 PolarHBondContact N-OE1 2.96Å; G76-E79 WeakPolarHBondContact O-CB 3.01Å; G76-E79 PolarHBondContact O-N 3.01Å; G76-D291 VanDerWaalsContact CA-O 3.3Å; G76-D291 WeakPolarHBondContact CA-O 3.5Å
77	F	89.4	Confident	89.5	Confident	31 Å²	31	44.1 Å²	44.1	14%	0.136	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-18.8	-172.8	-81.4	40	0	0	0	113.4	H223 W277 M288 P290	F77-H223 WeakPolarHBondContact O-CB 3.47Å; F77-W277 HydrophobicContact CD2-CD2 4.44Å; F77-W277 HydrophobicContact CD2-CE3 4.27Å; F77-W277 HydrophobicContact CE2-CB 3.89Å; F77-W277 AromaticContact CE2-CD1 3.94Å; F77-W277 AromaticContact CE2-CD2 3.44Å; F77-W277 HydrophobicContact CE2-CD2 3.44Å; F77-W277 VanDerWaalsContact CE2-CD2 3.44Å; F77-W277 AromaticContact CE2-CE2 3.96Å; F77-W277 AromaticContact CE2-CE3 3.68Å; F77-W277 HydrophobicContact CE2-CE3 3.68Å; F77-W277 AromaticContact CE2-CG 3.48Å; F77-W277 HydrophobicContact CE2-CG 3.48Å; F77-W277 VanDerWaalsContact CE2-CG 3.48Å; F77-W277 HydrophobicContact CE2-CZ3 4.43Å; F77-W277 HydrophobicContact CZ-CB 3.78Å; F77-W277 AromaticContact CZ-CD1 3.77Å; F77-W277 HydrophobicContact CZ-CD2 4.05Å; F77-W277 AromaticContact CZ-CG 3.58Å; F77-W277 HydrophobicContact CZ-CG 3.58Å; F77-M288 HydrophobicContact CE1-CB 4.49Å; F77-M288 HydrophobicContact CE1-CE 4.08Å; F77-M288 HydrophobicContact CE1-SD 4.39Å; F77-M288 HydrophobicContact CZ-CE 4.44Å; F77-M288 HydrophobicContact CZ-SD 4.2Å; F77-P290 WeakPolarHBondContact CB-O 3.24Å; F77-P290 PolarHBondContact N-O 3.08Å
78	K	88.5	Confident	89	Confident	79 Å²	79	46.5 Å²	46.5	34%	0.343	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-9	175	-63.9	-170.3	173.3	-162.9	0	113	D42 E45 G76	D42-K78 IonicContact OD2-NZ 3.53Å; D42-K78 PolarHBondContact OD2-NZ 2.9Å; E45-K78 HydrophobicContact CG-CD 4.2Å; E45-K78 WeakPolarHBondContact OE1-CE 3.43Å; E45-K78 IonicContact OE1-NZ 2.8Å; E45-K78 PolarHBondContact OE1-NZ 3.37Å; G76-K78 PolarHBondContact O-N 3.29Å; G76-K78 VanDerWaalsContact O-N 3.13Å
79	E	84.8	Confident	88.7	Confident	71 Å²	71	48.1 Å²	48.1	33%	0.332	28%	0.281	S	S	.	.			trans	-77.1	132.8	178.6	-62.4	179	-138.9	0	0	109.6	V75 G76 S81 A82	V75-E79 HydrophobicContact CB-CB 4.34Å; V75-E79 WeakPolarHBondContact CB-OE2 3.36Å; V75-E79 HydrophobicContact CG2-CB 4.11Å; G76-E79 WeakPolarHBondContact CA-OE1 3.3Å; G76-E79 PolarHBondContact N-OE1 2.96Å; G76-E79 WeakPolarHBondContact O-CB 3.01Å; G76-E79 PolarHBondContact O-N 3.01Å; E79-S81 VanDerWaalsContact C-N 3.29Å; E79-S81 PolarHBondContact O-N 3.33Å; E79-A82 WeakPolarHBondContact O-CB 3.49Å; E79-A82 PolarHBondContact O-N 3.18Å
80	A	74.9	Confident	88.5	Confident	40 Å²	40	50.2 Å²	50.2	33%	0.331	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-15.4	-178.2	0	0	0	0	0	115.7	D47 L48 A82	D47-A80 WeakPolarHBondContact O-CB 3.24Å; L48-A80 HydrophobicContact CB-CB 4.01Å; L48-A80 HydrophobicContact CD2-CB 3.65Å; L48-A80 HydrophobicContact CG-CB 4.05Å; A80-A82 PolarHBondContact O-N 3.07Å
81	S	79.8	Confident	88.5	Confident	62 Å²	62	49.3 Å²	49.3	43%	0.434	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-7.9	170.6	55.9	0	0	0	0	112.3	E79 K83	E79-S81 VanDerWaalsContact C-N 3.29Å; E79-S81 PolarHBondContact O-N 3.33Å; S81-K83 PolarHBondContact O-N 3.43Å
82	A	83.9	Confident	88.5	Confident	21 Å²	21	52 Å²	52	17%	0.174	30%	0.301	C	S	.	.			trans	-60.3	108.9	177.3	0	0	0	0	0	111.8	V75 E79 A80 V84 Q233	V75-A82 VanDerWaalsContact CG2-CA 3.49Å; V75-A82 HydrophobicContact CG2-CB 3.69Å; E79-A82 WeakPolarHBondContact O-CB 3.49Å; E79-A82 PolarHBondContact O-N 3.18Å; A80-A82 PolarHBondContact O-N 3.07Å; A82-V84 HydrophobicContact CB-CG2 4.41Å; A82-V84 PolarHBondContact O-N 3.22Å; A82-Q233 HydrophobicContact CB-CG 4.18Å
83	K	85.9	Confident	88.7	Confident	179 Å²	179	50.6 Å²	50.6	78%	0.778	30%	0.297	S	S	*	.			trans	-83.8	103.7	173.2	-63.6	-172.7	-179.3	-174.5	0	109.5	S81	S81-K83 PolarHBondContact O-N 3.43Å
84	V	90.8	Very high	88.8	Confident	8 Å²	8	52.2 Å²	52.2	5%	0.048	29%	0.29	C	S	.	.			trans	-108.8	-49.7	-177.4	174.6	0	0	0	0	112.3	A82 M226 V231 Q233 F236	A82-V84 HydrophobicContact CB-CG2 4.41Å; A82-V84 PolarHBondContact O-N 3.22Å; V84-M226 HydrophobicContact CB-SD 4.09Å; V84-M226 HydrophobicContact CG1-SD 4.08Å; V84-M226 HydrophobicContact CG2-SD 3.69Å; V84-V231 HydrophobicContact CG1-CB 4.42Å; V84-V231 HydrophobicContact CG1-CG2 4.08Å; V84-Q233 HydrophobicContact CG2-CG 3.72Å; V84-F236 HydrophobicContact CG1-CE2 4.48Å; V84-F236 VanDerWaalsContact O-CD2 3.23Å; V84-F236 WeakPolarHBondContact O-CD2 3.33Å
85	Y	91.9	Very high	88.8	Confident	26 Å²	26	50.9 Å²	50.9	10%	0.102	28%	0.282	C	S	.	.	S	Bend	trans	-90.9	152.7	-171.4	-60.6	-82.5	0	0	0	112.5	I91 R220 K221 M226 I229 F236	Y85-I91 HydrophobicContact CD1-CD1 4.41Å; Y85-I91 HydrophobicContact CE1-CD1 3.83Å; Y85-I91 HydrophobicContact CE1-CG2 4.47Å; Y85-R220 HydrophobicContact CD1-CG 4.48Å; Y85-R220 HydrophobicContact CD2-CG 4.23Å; Y85-R220 HydrophobicContact CE1-CG 3.94Å; Y85-R220 HydrophobicContact CE2-CG 3.67Å; Y85-R220 VanDerWaalsContact CZ-CG 3.5Å; Y85-R220 PolarHBondContact OH-O 2.89Å; Y85-R220 VanDerWaalsContact OH-O 3.06Å; Y85-K221 HydrophobicContact CD2-CG 4.47Å; Y85-M226 HydrophobicContact CE2-CG 4.47Å; Y85-M226 HydrophobicContact CE2-SD 4.42Å; Y85-I229 HydrophobicContact CE1-CD1 4.34Å; Y85-I229 WeakPolarHBondContact OH-CD1 3.42Å; Y85-F236 HydrophobicContact CD1-CE2 4.04Å; Y85-F236 HydrophobicContact CE1-CE2 4.34Å
86	L	90.8	Very high	88.6	Confident	13 Å²	13	51.9 Å²	51.9	7%	0.068	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-65.9	130.2	167.7	-57.1	176	0	0	0	108.8	I66 V89 H130 F133 F236	I66-L86 HydrophobicContact CD1-CD2 3.93Å; I66-L86 HydrophobicContact CG1-CD2 3.85Å; L86-V89 HydrophobicContact CB-CB 3.97Å; L86-V89 HydrophobicContact CB-CG2 3.97Å; L86-V89 HydrophobicContact CD1-CG1 4.47Å; L86-V89 HydrophobicContact CD1-CG2 4.37Å; L86-H130 WeakPolarHBondContact CB-NE2 3.5Å; L86-H130 PolarHBondContact N-NE2 2.82Å; L86-F133 HydrophobicContact CD1-CD2 4.48Å; L86-F133 HydrophobicContact CD1-CE2 4.38Å; L86-F236 HydrophobicContact CD2-CB 4.02Å; L86-F236 HydrophobicContact CG-CB 4.1Å
87	P	82.4	Confident	88.1	Confident	62 Å²	62	55.5 Å²	55.5	40%	0.403	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	143.4	173.7	-22.4	33.2	0	0	0	110.4	V89	P87-V89 WeakPolarHBondContact O-CG2 3.34Å; P87-V89 PolarHBondContact O-N 3.19Å
88	T	81.3	Confident	87.8	Confident	124 Å²	124	55.4 Å²	55.4	76%	0.761	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	-0.4	173.1	68.1	0	0	0	0	117.7
89	V	89.1	Confident	87.3	Confident	34 Å²	34	53.9 Å²	53.9	21%	0.206	30%	0.298	C	S	.	.			trans	-95.1	128.1	178.5	179.8	0	0	0	0	110.6	C64 L86 P87 H130 G131	C64-V89 HydrophobicContact CB-CG2 4.41Å; L86-V89 HydrophobicContact CB-CB 3.97Å; L86-V89 HydrophobicContact CB-CG2 3.97Å; L86-V89 HydrophobicContact CD1-CG1 4.47Å; L86-V89 HydrophobicContact CD1-CG2 4.37Å; P87-V89 WeakPolarHBondContact O-CG2 3.34Å; P87-V89 PolarHBondContact O-N 3.19Å; V89-H130 PolarHBondContact O-CE1 3.38Å; V89-H130 PolarHBondContact O-ND1 2.8Å; V89-G131 VanDerWaalsContact CG1-N 3.26Å
90	P	90.2	Very high	86.6	Confident	97 Å²	97	54.7 Å²	54.7	63%	0.63	30%	0.298	S	S	*	.			trans	-68.2	149.6	177.1	27.4	-33.7	0	0	0	111.6	H130	P90-H130 PolarHBondContact O-ND1 3.24Å
91	I	93.9	Very high	85.9	Confident	9 Å²	9	55.8 Å²	55.8	5%	0.046	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	131	166.7	-179.3	171.6	0	0	0	108.4	Y85 M128 K129 H130 W135 L214 R220 I229	Y85-I91 HydrophobicContact CD1-CD1 4.41Å; Y85-I91 HydrophobicContact CE1-CD1 3.83Å; Y85-I91 HydrophobicContact CE1-CG2 4.47Å; I91-M128 HydrophobicContact CD1-CE 4.1Å; I91-M128 HydrophobicContact CG1-CE 4.22Å; I91-K129 CarbonylContact C-O 3.57Å; I91-K129 WeakPolarHBondContact CA-O 3.42Å; I91-H130 HydrophobicContact CB-CB 4.07Å; I91-H130 HydrophobicContact CD1-CB 4.36Å; I91-H130 HydrophobicContact CG1-CB 4.03Å; I91-W135 HydrophobicContact CD1-CH2 3.74Å; I91-W135 HydrophobicContact CD1-CZ2 4.24Å; I91-W135 HydrophobicContact CG1-CH2 4.36Å; I91-L214 HydrophobicContact CD1-CD2 4.36Å; I91-L214 HydrophobicContact CG1-CD1 4.28Å; I91-L214 HydrophobicContact CG2-CB 4.03Å; I91-L214 HydrophobicContact CG2-CD1 4.42Å; I91-L214 HydrophobicContact CG2-CD2 4.02Å; I91-L214 HydrophobicContact CG2-CG 4.37Å; I91-R220 HydrophobicContact CG2-CG 4.49Å; I91-I229 HydrophobicContact CD1-CD1 3.74Å
92	T	95.8	Very high	84.6	Confident	64 Å²	64	57.9 Å²	57.9	39%	0.393	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	151.2	-174.4	57.1	0	0	0	0	110.7	M128 K129 N211	T92-M128 WeakPolarHBondContact O-CA 3.2Å; T92-K129 PolarHBondContact N-O 2.71Å; T92-K129 PolarHBondContact O-N 3.49Å; T92-K129 PolarHBondContact OG1-O 3.13Å; T92-N211 WeakPolarHBondContact CA-OD1 3.37Å
93	A	96.6	Very high	82.9	Confident	5 Å²	5	60.8 Å²	60.8	4%	0.041	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	137.4	177.1	0	0	0	0	0	110	I126 E127 M128 I210 N211 L214	A93-I126 HydrophobicContact CB-CG2 3.97Å; A93-E127 CarbonylContact C-O 3.6Å; A93-E127 WeakPolarHBondContact CA-O 3.21Å; A93-M128 HydrophobicContact CB-CE 4.09Å; A93-M128 HydrophobicContact CB-SD 3.63Å; A93-I210 HydrophobicContact CB-CB 4.27Å; A93-I210 HydrophobicContact CB-CG2 3.57Å; A93-N211 PolarHBondContact N-OD1 3.06Å; A93-N211 PolarHBondContact O-ND2 3.47Å; A93-N211 PolarHBondContact O-OD1 3.24Å; A93-L214 HydrophobicContact CB-CD1 4.13Å
94	K	95.9	Very high	80.8	Confident	108 Å²	108	55.8 Å²	55.8	47%	0.47	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	114.1	174.5	-175.2	-179.2	-179.1	-178.7	0	108.7	L96 I126 E127 E207	K94-L96 HydrophobicContact CD-CD2 4.07Å; K94-L96 HydrophobicContact CG-CD2 4.18Å; K94-L96 PolarHBondContact O-N 2.79Å; K94-I126 CarbonylContact O-C 3.53Å; K94-E127 HydrophobicContact CB-CB 4.46Å; K94-E127 PolarHBondContact N-O 3.44Å; K94-E127 PolarHBondContact O-N 2.96Å; K94-E207 WeakPolarHBondContact CA-OE2 3.39Å
95	I	92.6	Very high	78.5	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	122.7	173.8	-56.6	-172.5	0	0	0	106.4	F124 K125 I126 R203 L206 E207	I95-F124 HydrophobicContact CD1-CD1 4.27Å; I95-F124 HydrophobicContact CG2-CB 4.28Å; I95-F124 HydrophobicContact CG2-CD1 4.14Å; I95-K125 CarbonylContact C-O 3.57Å; I95-K125 WeakPolarHBondContact CA-O 3.49Å; I95-I126 HydrophobicContact CG1-CG1 4.2Å; I95-I126 HydrophobicContact CG1-CG2 4.34Å; I95-R203 HydrophobicContact CB-CG 3.75Å; I95-R203 HydrophobicContact CD1-CG 4.49Å; I95-R203 WeakPolarHBondContact CD1-O 3.47Å; I95-R203 HydrophobicContact CG2-CG 3.71Å; I95-R203 PolarHBondContact O-NE 2.72Å; I95-R203 PolarHBondContact O-NH2 3.11Å; I95-L206 HydrophobicContact CD1-CB 3.85Å; I95-E207 HydrophobicContact CD1-CB 4.17Å; I95-E207 HydrophobicContact CG1-CB 4.06Å; I95-E207 PolarHBondContact N-OE2 2.91Å
96	L	88.5	Confident	75.9	Confident	54 Å²	54	69.1 Å²	69.1	28%	0.283	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	-47.8	-176.2	-63.9	-176.5	0	0	0	112.3	K94 K125 E127 L136 R203	K94-L96 HydrophobicContact CD-CD2 4.07Å; K94-L96 HydrophobicContact CG-CD2 4.18Å; K94-L96 PolarHBondContact O-N 2.79Å; L96-K125 PolarHBondContact N-O 3.44Å; L96-E127 HydrophobicContact CD1-CB 3.88Å; L96-E127 HydrophobicContact CD2-CB 4.06Å; L96-E127 HydrophobicContact CG-CB 3.84Å; L96-L136 HydrophobicContact CD1-CD2 3.75Å; L96-R203 PolarHBondContact O-NH1 3.02Å; L96-R203 PolarHBondContact O-NH2 3.25Å
97	E	83.1	Confident	73.5	Confident	79 Å²	79	79 Å²	79	37%	0.369	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	159.3	-175.2	62.3	-174.7	165.8	0	0	111.3	K125	E97-K125 HydrophobicContact CG-CB 3.68Å; E97-K125 HydrophobicContact CG-CD 3.69Å; E97-K125 HydrophobicContact CG-CG 4.36Å; E97-K125 PolarHBondContact O-N 2.72Å; E97-K125 WeakPolarHBondContact OE1-CD 3.44Å; E97-K125 WeakPolarHBondContact OE1-CE 3.29Å; E97-K125 IonicContact OE1-NZ 3.62Å; E97-K125 PolarHBondContact OE1-NZ 2.8Å
98	V	82.2	Confident	71.4	Confident	28 Å²	28	85.6 Å²	85.6	17%	0.17	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	101.2	175.6	-175.5	0	0	0	0	108.1	R100 A122 V123 F124 V199	V98-R100 HydrophobicContact CG1-CG 4.49Å; V98-R100 PolarHBondContact O-N 3.42Å; V98-A122 HydrophobicContact CG1-CB 3.73Å; V98-V123 CarbonylContact C-O 3.57Å; V98-V123 WeakPolarHBondContact CA-O 3.08Å; V98-F124 HydrophobicContact CG1-CD1 4.29Å; V98-F124 HydrophobicContact CG1-CE1 4.11Å; V98-F124 HydrophobicContact CG1-CZ 4.5Å; V98-F124 HydrophobicContact CG2-CD1 3.63Å; V98-F124 HydrophobicContact CG2-CE1 3.78Å; V98-V199 HydrophobicContact CB-CG1 3.79Å; V98-V199 HydrophobicContact CG1-CG1 3.92Å; V98-V199 HydrophobicContact CG2-CG1 3.78Å
99	E	78.9	Confident	69.3	Low	48 Å²	48	87.1 Å²	87.1	22%	0.224	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	123.2	177.8	-64.7	173	-168.2	0	0	109.5	F101 V123 K138	E99-F101 HydrophobicContact CB-CE2 4.26Å; E99-F101 HydrophobicContact CB-CZ 4.37Å; E99-V123 HydrophobicContact CB-CB 4.26Å; E99-V123 PolarHBondContact N-O 2.95Å; E99-V123 PolarHBondContact O-N 3.17Å; E99-K138 IonicContact OE1-NZ 3.14Å; E99-K138 PolarHBondContact OE1-NZ 2.72Å; E99-K138 IonicContact OE2-NZ 3Å; E99-K138 PolarHBondContact OE2-NZ 3.02Å
100	R	70.9	Confident	66.9	Low	88 Å²	88	94.4 Å²	94.4	33%	0.332	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	128.3	177.4	-66.4	168.8	172.8	-140.4	-29.6	108.7	V98 L193	V98-R100 HydrophobicContact CG1-CG 4.49Å; V98-R100 PolarHBondContact O-N 3.42Å; R100-L193 PolarHBondContact NH1-O 3.02Å; R100-L193 VanDerWaalsContact NH2-CB 3.35Å; R100-L193 PolarHBondContact NH2-O 3.49Å
101	F	60.3	Low	64.4	Low	62 Å²	62	94.6 Å²	94.6	27%	0.272	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	110.5	179.8	-57.9	-89	0	0	0	109.7	E99 L120 V123	E99-F101 HydrophobicContact CB-CE2 4.26Å; E99-F101 HydrophobicContact CB-CZ 4.37Å; F101-L120 HydrophobicContact CB-CB 3.94Å; F101-L120 HydrophobicContact CB-CD1 3.78Å; F101-V123 HydrophobicContact CE2-CG2 4.16Å
102	T	51.7	Low	62	Low	107 Å²	107	103 Å²	103	66%	0.656	52%	0.523	S	S	*	.			trans	-81.6	138.3	164.5	53.2	0	0	0	0	109.1	A104	T102-A104 PolarHBondContact O-N 2.93Å
103	T	48	Very low	59.3	Low	81 Å²	81	108.7 Å²	108.7	50%	0.497	54%	0.544	S	S	.	.	G	3₁₀ helix	trans	-56.5	-5.2	-176.6	16.1	0	0	0	0	115.9	Q105 N117	T103-Q105 PolarHBondContact O-N 2.98Å; T103-N117 PolarHBondContact OG1-OD1 2.64Å
104	A	42.8	Very low	56.7	Low	74 Å²	74	121 Å²	121	61%	0.612	59%	0.59	S	S	*	*	G	3₁₀ helix	trans	-80.3	-7.9	-169.5	0	0	0	0	0	116.8	T102	T102-A104 PolarHBondContact O-N 2.93Å
105	Q	41.3	Very low	53.9	Low	174 Å²	174	121 Å²	121	81%	0.813	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-98.7	-1.4	-173.4	-81.1	178.7	-16.6	0	0	116.2	T103 R107	T103-Q105 PolarHBondContact O-N 2.98Å; Q105-R107 PolarHBondContact O-N 2.73Å
106	D	38.2	Very low	51.2	Low	140 Å²	140	126.6 Å²	126.6	75%	0.749	64%	0.638	S	S	*	*			trans	-96.8	51.1	175.5	-87.5	-33.8	0	0	0	112.5	F108	D106-F108 PolarHBondContact O-N 2.89Å; D106-F108 VanDerWaalsContact O-N 3.09Å
107	R	39	Very low	48.9	Very low	222 Å²	222	130.8 Å²	130.8	84%	0.838	66%	0.66	S	S	*	*			trans	-80.7	39.1	178.4	-81.8	-164	-170.7	-179.1	3.7	114.8	Q105	Q105-R107 PolarHBondContact O-N 2.73Å
108	F	40.1	Very low	47.2	Very low	199 Å²	199	134.9 Å²	134.9	87%	0.873	68%	0.677	S	S	*	*	S	Bend	trans	-136.9	40.1	173.7	-80.9	-75.5	0	0	0	113.7	D106	D106-F108 PolarHBondContact O-N 2.89Å; D106-F108 VanDerWaalsContact O-N 3.09Å
109	N	36.1	Very low	45.8	Very low	157 Å²	157	138.5 Å²	138.5	84%	0.84	70%	0.704	S	S	*	*			trans	-144.3	102.7	158.9	-89.4	-43.8	0	0	0	109.4	S111	N109-S111 PolarHBondContact O-N 3.01Å
110	L	38.3	Very low	44.9	Very low	186 Å²	186	139.4 Å²	139.4	97%	0.974	71%	0.71	S	S	*	*			trans	-79.6	94.7	169.5	-90	131.5	0	0	0	108.8
111	S	38.8	Very low	44.7	Very low	101 Å²	101	138.8 Å²	138.8	71%	0.706	72%	0.717	S	S	*	*			trans	-137.8	122.3	151.2	60.3	0	0	0	0	109.1	N109 H113	N109-S111 PolarHBondContact O-N 3.01Å; S111-H113 PolarHBondContact O-N 3.15Å; S111-H113 VanDerWaalsContact O-N 3.1Å
112	Q	43.6	Very low	45.4	Very low	187 Å²	187	136.2 Å²	136.2	87%	0.874	71%	0.707	S	S	*	*			trans	-72.1	98.4	-176.4	-73.6	177.8	-14.5	0	0	110.2
113	H	38.9	Very low	47	Very low	182 Å²	182	132 Å²	132	84%	0.843	68%	0.681	S	S	*	*			trans	-143	127.5	152.5	-88.1	-76.3	0	0	0	109.5	S111 S115	S111-H113 PolarHBondContact O-N 3.15Å; S111-H113 VanDerWaalsContact O-N 3.1Å; H113-S115 PolarHBondContact O-N 3.39Å
114	R	41.1	Very low	49	Very low	263 Å²	263	128.1 Å²	128.1	99%	0.992	66%	0.657	S	S	*	*			trans	-51.4	118.6	178.9	-73.5	177.7	-178.2	174.2	0.2	110.1
115	S	36.6	Very low	51.3	Low	109 Å²	109	126.9 Å²	126.9	76%	0.762	64%	0.638	S	S	*	*			trans	-109.7	128.9	177.3	-176.5	0	0	0	0	110.7	H113	H113-S115 PolarHBondContact O-N 3.39Å
116	V	37.6	Very low	53.9	Low	118 Å²	118	118.7 Å²	118.7	72%	0.715	60%	0.6	S	S	*	*			trans	-61.3	130.8	169.3	179.2	0	0	0	0	108.8	K118	V116-K118 VanDerWaalsContact C-N 3.31Å; V116-K118 PolarHBondContact O-N 3.34Å
117	N	39.6	Very low	56.6	Low	142 Å²	142	115.1 Å²	115.1	76%	0.759	58%	0.579	S	S	*	*			trans	-62.5	86.2	172	-91.4	-25.4	0	0	0	110.5	T103	T103-N117 PolarHBondContact OG1-OD1 2.64Å
118	K	46.2	Very low	59.4	Low	165 Å²	165	104.6 Å²	104.6	72%	0.717	54%	0.539	S	S	*	.			trans	-88	109.2	163.4	-87.2	-177.3	175.1	177.3	0	108.4	V116 L120	V116-K118 VanDerWaalsContact C-N 3.31Å; V116-K118 PolarHBondContact O-N 3.34Å; K118-L120 PolarHBondContact O-N 2.74Å
119	S	53	Low	62.1	Low	104 Å²	104	100.6 Å²	100.6	73%	0.727	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-56.1	130.3	165.3	57.1	0	0	0	0	108.5
120	L	59.8	Low	64.9	Low	67 Å²	67	93.2 Å²	93.2	35%	0.351	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	140.2	179.6	-73.6	163.1	0	0	0	109	F101 K118 A122	F101-L120 HydrophobicContact CB-CB 3.94Å; F101-L120 HydrophobicContact CB-CD1 3.78Å; K118-L120 PolarHBondContact O-N 2.74Å; L120-A122 PolarHBondContact O-N 3.45Å
121	P	67.1	Low	67.4	Low	74 Å²	74	85.9 Å²	85.9	48%	0.481	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	138.9	-173.3	22.6	-32.4	0	0	0	111.5	K140	P121-K140 HydrophobicContact CG-CD 4.34Å
122	A	76.6	Confident	69.9	Low	9 Å²	9	86.2 Å²	86.2	7%	0.074	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	137.4	178.7	0	0	0	0	0	111.8	V98 L120 F124 L193	V98-A122 HydrophobicContact CG1-CB 3.73Å; L120-A122 PolarHBondContact O-N 3.45Å; A122-F124 HydrophobicContact CB-CE2 4.42Å; A122-L193 HydrophobicContact CB-CD1 4.04Å
123	V	85.3	Confident	72.4	Confident	17 Å²	17	77.7 Å²	77.7	10%	0.103	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	117	176.1	-179	0	0	0	0	108.8	V98 E99 F101 K138 K140	V98-V123 CarbonylContact C-O 3.57Å; V98-V123 WeakPolarHBondContact CA-O 3.08Å; E99-V123 HydrophobicContact CB-CB 4.26Å; E99-V123 PolarHBondContact N-O 2.95Å; E99-V123 PolarHBondContact O-N 3.17Å; F101-V123 HydrophobicContact CE2-CG2 4.16Å; V123-K138 HydrophobicContact CG1-CB 4Å; V123-K138 HydrophobicContact CG1-CD 4.32Å; V123-K140 HydrophobicContact CG2-CG 3.99Å
124	F	89.4	Confident	75	Confident	1 Å²	1	72.5 Å²	72.5	0%	0.004	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	124.7	176.7	-57.9	-91.6	0	0	0	109.2	I95 V98 A122 I126 K138 R139 E141 F144 R202 L206	I95-F124 HydrophobicContact CD1-CD1 4.27Å; I95-F124 HydrophobicContact CG2-CB 4.28Å; I95-F124 HydrophobicContact CG2-CD1 4.14Å; V98-F124 HydrophobicContact CG1-CD1 4.29Å; V98-F124 HydrophobicContact CG1-CE1 4.11Å; V98-F124 HydrophobicContact CG1-CZ 4.5Å; V98-F124 HydrophobicContact CG2-CD1 3.63Å; V98-F124 HydrophobicContact CG2-CE1 3.78Å; A122-F124 HydrophobicContact CB-CE2 4.42Å; F124-I126 HydrophobicContact CB-CG1 4.31Å; F124-K138 WeakPolarHBondContact O-CA 3.14Å; F124-R139 WeakPolarHBondContact CD2-O 3.34Å; F124-R139 PolarHBondContact N-O 3.17Å; F124-R139 PolarHBondContact O-N 3.16Å; F124-E141 HydrophobicContact CE2-CB 4.26Å; F124-F144 AromaticContact CD2-CE2 3.99Å; F124-F144 HydrophobicContact CD2-CE2 3.99Å; F124-F144 HydrophobicContact CG-CE2 4.36Å; F124-R202 HydrophobicContact CZ-CG 4.45Å; F124-L206 HydrophobicContact CD1-CD1 4.28Å; F124-L206 HydrophobicContact CD2-CD1 4.46Å; F124-L206 HydrophobicContact CE1-CD1 3.75Å; F124-L206 HydrophobicContact CE2-CD1 3.96Å; F124-L206 HydrophobicContact CZ-CD1 3.57Å
125	K	91.8	Very high	77.6	Confident	48 Å²	48	60.6 Å²	60.6	21%	0.209	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	118.5	169.8	-174.6	-176.9	-176.2	-175	0	108.6	I95 L96 E97 L136	I95-K125 CarbonylContact C-O 3.57Å; I95-K125 WeakPolarHBondContact CA-O 3.49Å; L96-K125 PolarHBondContact N-O 3.44Å; E97-K125 HydrophobicContact CG-CB 3.68Å; E97-K125 HydrophobicContact CG-CD 3.69Å; E97-K125 HydrophobicContact CG-CG 4.36Å; E97-K125 PolarHBondContact O-N 2.72Å; E97-K125 WeakPolarHBondContact OE1-CD 3.44Å; E97-K125 WeakPolarHBondContact OE1-CE 3.29Å; E97-K125 IonicContact OE1-NZ 3.62Å; E97-K125 PolarHBondContact OE1-NZ 2.8Å; K125-L136 HydrophobicContact CG-CD2 4.17Å
126	I	94.6	Very high	80.3	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.005	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	117.3	-170.7	-42.8	-178.9	0	0	0	107.6	A93 K94 I95 F124 M128 L136 V137 R139 F144 I210	A93-I126 HydrophobicContact CB-CG2 3.97Å; K94-I126 CarbonylContact O-C 3.53Å; I95-I126 HydrophobicContact CG1-CG1 4.2Å; I95-I126 HydrophobicContact CG1-CG2 4.34Å; F124-I126 HydrophobicContact CB-CG1 4.31Å; I126-M128 HydrophobicContact CG2-SD 3.8Å; I126-L136 WeakPolarHBondContact O-CA 3.33Å; I126-V137 HydrophobicContact CB-CB 4.43Å; I126-V137 PolarHBondContact N-O 2.91Å; I126-V137 PolarHBondContact O-N 3.29Å; I126-R139 HydrophobicContact CD1-CB 4.24Å; I126-R139 HydrophobicContact CD1-CG 4.28Å; I126-F144 HydrophobicContact CD1-CE2 4.46Å; I126-F144 HydrophobicContact CD1-CZ 3.81Å; I126-I210 HydrophobicContact CD1-CD1 3.75Å
127	E	96	Very high	82.9	Confident	65 Å²	65	53.7 Å²	53.7	30%	0.304	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	127.6	167.2	180	177	79.3	0	0	109.1	A93 K94 L96 T134 L136	A93-E127 CarbonylContact C-O 3.6Å; A93-E127 WeakPolarHBondContact CA-O 3.21Å; K94-E127 HydrophobicContact CB-CB 4.46Å; K94-E127 PolarHBondContact N-O 3.44Å; K94-E127 PolarHBondContact O-N 2.96Å; L96-E127 HydrophobicContact CD1-CB 3.88Å; L96-E127 HydrophobicContact CD2-CB 4.06Å; L96-E127 HydrophobicContact CG-CB 3.84Å; E127-T134 HydrophobicContact CG-CG2 3.8Å; E127-L136 HydrophobicContact CB-CD2 4.01Å
128	M	96.9	Very high	85.3	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.01	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	139.1	177.4	-57.4	-63.8	-58.5	0	0	108.3	I91 T92 A93 I126 T134 W135 V137 L214 I229	I91-M128 HydrophobicContact CD1-CE 4.1Å; I91-M128 HydrophobicContact CG1-CE 4.22Å; T92-M128 WeakPolarHBondContact O-CA 3.2Å; A93-M128 HydrophobicContact CB-CE 4.09Å; A93-M128 HydrophobicContact CB-SD 3.63Å; I126-M128 HydrophobicContact CG2-SD 3.8Å; M128-T134 VanDerWaalsContact O-CA 3.3Å; M128-T134 WeakPolarHBondContact O-CA 3.45Å; M128-W135 HydrophobicContact CB-CD2 3.57Å; M128-W135 HydrophobicContact CB-CE3 3.83Å; M128-W135 HydrophobicContact CB-CG 4.26Å; M128-W135 HydrophobicContact CB-CH2 3.61Å; M128-W135 HydrophobicContact CB-CZ2 3.33Å; M128-W135 HydrophobicContact CB-CZ3 3.84Å; M128-W135 HydrophobicContact CE-CZ2 4.31Å; M128-W135 HydrophobicContact CG-CD2 4.35Å; M128-W135 HydrophobicContact CG-CZ2 3.85Å; M128-W135 PolarHBondContact N-O 3.44Å; M128-W135 PolarHBondContact O-N 2.9Å; M128-V137 HydrophobicContact CG-CB 4.48Å; M128-V137 HydrophobicContact CG-CG2 3.65Å; M128-L214 HydrophobicContact CE-CD1 3.77Å; M128-I229 HydrophobicContact CE-CB 3.9Å; M128-I229 HydrophobicContact CE-CD1 4.35Å; M128-I229 HydrophobicContact CE-CG2 3.71Å; M128-I229 HydrophobicContact SD-CG2 4.38Å
129	K	96.3	Very high	87.5	Confident	115 Å²	115	42.3 Å²	42.3	50%	0.5	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	132.8	176.5	-176	176.3	-179.1	178.7	0	111.3	I91 T92 F133	I91-K129 CarbonylContact C-O 3.57Å; I91-K129 WeakPolarHBondContact CA-O 3.42Å; T92-K129 PolarHBondContact N-O 2.71Å; T92-K129 PolarHBondContact O-N 3.49Å; T92-K129 PolarHBondContact OG1-O 3.13Å; K129-F133 WeakPolarHBondContact CA-O 3.43Å
130	H	94.9	Very high	89.1	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	113.4	175.2	-175.9	52.3	0	0	0	109.6	L86 V89 P90 I91 E132 F133 W135 F236	L86-H130 WeakPolarHBondContact CB-NE2 3.5Å; L86-H130 PolarHBondContact N-NE2 2.82Å; V89-H130 PolarHBondContact O-CE1 3.38Å; V89-H130 PolarHBondContact O-ND1 2.8Å; P90-H130 PolarHBondContact O-ND1 3.24Å; I91-H130 HydrophobicContact CB-CB 4.07Å; I91-H130 HydrophobicContact CD1-CB 4.36Å; I91-H130 HydrophobicContact CG1-CB 4.03Å; H130-E132 PolarHBondContact O-N 3.03Å; H130-F133 PolarHBondContact N-O 2.73Å; H130-F133 WeakPolarHBondContact O-CB 3.23Å; H130-F133 WeakPolarHBondContact O-CD2 3.44Å; H130-F133 PolarHBondContact O-N 2.98Å; H130-W135 HydrophobicContact CB-CH2 4.29Å; H130-W135 HydrophobicContact CB-CZ3 4.13Å; H130-F236 HydrophobicContact CB-CE1 4.19Å; H130-F236 HydrophobicContact CB-CZ 4.28Å; H130-F236 AromaticContact CD2-CD2 3.52Å; H130-F236 AromaticContact CD2-CE1 3.99Å; H130-F236 AromaticContact CD2-CE2 3.54Å; H130-F236 AromaticContact CD2-CG 3.78Å; H130-F236 AromaticContact CD2-CZ 3.77Å
131	G	92.1	Very high	90.3	Very high	32 Å²	32	40 Å²	40	33%	0.33	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	-129.8	-171.4	0	0	0	0	0	111.6	V89 F133	V89-G131 VanDerWaalsContact CG1-N 3.26Å; G131-F133 VanDerWaalsContact C-N 3.29Å
132	E	91.4	Very high	91.2	Very high	108 Å²	108	41 Å²	41	51%	0.505	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-11.2	174.2	68.3	-164.6	150.7	0	0	113.8	H130 H238	H130-E132 PolarHBondContact O-N 3.03Å; E132-H238 IonicContact OE1-CD2 2.72Å; E132-H238 PolarHBondContact OE1-CD2 3.13Å; E132-H238 IonicContact OE1-CG 2.76Å; E132-H238 IonicContact OE2-CD2 3.16Å; E132-H238 PolarHBondContact OE2-CD2 2.92Å; E132-H238 IonicContact OE2-NE2 2.74Å
133	F	94.7	Very high	91.9	Very high	9 Å²	9	43 Å²	43	4%	0.039	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	129.4	-174	-55.9	-83.5	0	0	0	111.4	L86 K129 H130 G131 F236 K243	L86-F133 HydrophobicContact CD1-CD2 4.48Å; L86-F133 HydrophobicContact CD1-CE2 4.38Å; K129-F133 WeakPolarHBondContact CA-O 3.43Å; H130-F133 PolarHBondContact N-O 2.73Å; H130-F133 WeakPolarHBondContact O-CB 3.23Å; H130-F133 WeakPolarHBondContact O-CD2 3.44Å; H130-F133 PolarHBondContact O-N 2.98Å; G131-F133 VanDerWaalsContact C-N 3.29Å; F133-F236 HydrophobicContact CB-CD1 3.84Å; F133-F236 HydrophobicContact CB-CE1 4.1Å; F133-F236 HydrophobicContact CD1-CD1 4.41Å; F133-F236 HydrophobicContact CD2-CB 3.9Å; F133-F236 AromaticContact CD2-CD1 3.57Å; F133-F236 HydrophobicContact CD2-CD1 3.57Å; F133-F236 HydrophobicContact CD2-CG 4.15Å; F133-F236 HydrophobicContact CE2-CB 3.71Å; F133-F236 HydrophobicContact CE2-CD1 4.25Å; F133-F236 HydrophobicContact CE2-CG 4.46Å; F133-F236 AromaticContact CG-CD1 3.68Å; F133-F236 HydrophobicContact CG-CD1 3.68Å; F133-F236 HydrophobicContact CG-CE1 4.43Å; F133-F236 HydrophobicContact CZ-CB 4.31Å; F133-K243 HydrophobicContact CB-CB 4.43Å; F133-K243 HydrophobicContact CD1-CB 3.99Å
134	T	94.9	Very high	92.2	Very high	72 Å²	72	42.2 Å²	42.2	44%	0.442	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	131.4	172	-55.7	0	0	0	0	109.3	E127 M128	E127-T134 HydrophobicContact CG-CG2 3.8Å; M128-T134 VanDerWaalsContact O-CA 3.3Å; M128-T134 WeakPolarHBondContact O-CA 3.45Å
135	W	94.9	Very high	92.2	Very high	13 Å²	13	46.8 Å²	46.8	5%	0.049	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	164	178.4	72.6	102.1	0	0	0	112.1	I91 M128 H130 I229 V231 F236 K243	I91-W135 HydrophobicContact CD1-CH2 3.74Å; I91-W135 HydrophobicContact CD1-CZ2 4.24Å; I91-W135 HydrophobicContact CG1-CH2 4.36Å; M128-W135 HydrophobicContact CB-CD2 3.57Å; M128-W135 HydrophobicContact CB-CE3 3.83Å; M128-W135 HydrophobicContact CB-CG 4.26Å; M128-W135 HydrophobicContact CB-CH2 3.61Å; M128-W135 HydrophobicContact CB-CZ2 3.33Å; M128-W135 HydrophobicContact CB-CZ3 3.84Å; M128-W135 HydrophobicContact CE-CZ2 4.31Å; M128-W135 HydrophobicContact CG-CD2 4.35Å; M128-W135 HydrophobicContact CG-CZ2 3.85Å; M128-W135 PolarHBondContact N-O 3.44Å; M128-W135 PolarHBondContact O-N 2.9Å; H130-W135 HydrophobicContact CB-CH2 4.29Å; H130-W135 HydrophobicContact CB-CZ3 4.13Å; W135-I229 PolarHBondContact NE1-O 2.82Å; W135-V231 HydrophobicContact CH2-CG1 3.99Å; W135-V231 HydrophobicContact CZ2-CG1 3.34Å; W135-F236 HydrophobicContact CE3-CE1 4.25Å; W135-F236 AromaticContact CH2-CE1 3.65Å; W135-F236 HydrophobicContact CH2-CE1 3.65Å; W135-F236 AromaticContact CH2-CZ 3.51Å; W135-F236 HydrophobicContact CH2-CZ 3.51Å; W135-F236 HydrophobicContact CZ2-CE1 4.47Å; W135-F236 HydrophobicContact CZ2-CZ 4.18Å; W135-F236 AromaticContact CZ3-CE1 3.52Å; W135-F236 HydrophobicContact CZ3-CE1 3.52Å; W135-F236 AromaticContact CZ3-CZ 3.91Å; W135-F236 HydrophobicContact CZ3-CZ 3.91Å; W135-K243 HydrophobicContact CB-CD 4.21Å; W135-K243 HydrophobicContact CD2-CD 3.51Å; W135-K243 HydrophobicContact CE3-CD 3.6Å; W135-K243 HydrophobicContact CG-CD 3.81Å; W135-K243 HydrophobicContact CZ3-CD 4.19Å
136	L	92.8	Very high	92.2	Very high	80 Å²	80	49 Å²	49	42%	0.419	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	135.3	-178.3	-67.6	169.5	0	0	0	111.3	L96 K125 I126 E127	L96-L136 HydrophobicContact CD1-CD2 3.75Å; K125-L136 HydrophobicContact CG-CD2 4.17Å; I126-L136 WeakPolarHBondContact O-CA 3.33Å; E127-L136 HydrophobicContact CB-CD2 4.01Å
137	V	92.9	Very high	92.2	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.012	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	134.7	176.1	-176	0	0	0	0	108.2	I126 M128 R139 F228 I229 D230	I126-V137 HydrophobicContact CB-CB 4.43Å; I126-V137 PolarHBondContact N-O 2.91Å; I126-V137 PolarHBondContact O-N 3.29Å; M128-V137 HydrophobicContact CG-CB 4.48Å; M128-V137 HydrophobicContact CG-CG2 3.65Å; V137-R139 HydrophobicContact CG1-CG 3.85Å; V137-F228 WeakPolarHBondContact CG1-O 3.32Å; V137-I229 WeakPolarHBondContact CG2-O 3.34Å; V137-D230 HydrophobicContact CG2-CB 4.42Å
138	K	90.3	Very high	92	Very high	48 Å²	48	46.9 Å²	46.9	21%	0.209	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	124	171.5	-66.3	-165.2	-179.5	-161.7	0	110.3	E99 V123 F124 W341	E99-K138 IonicContact OE1-NZ 3.14Å; E99-K138 PolarHBondContact OE1-NZ 2.72Å; E99-K138 IonicContact OE2-NZ 3Å; E99-K138 PolarHBondContact OE2-NZ 3.02Å; V123-K138 HydrophobicContact CG1-CB 4Å; V123-K138 HydrophobicContact CG1-CD 4.32Å; F124-K138 WeakPolarHBondContact O-CA 3.14Å; K138-W341 HydrophobicContact CB-CD2 4.46Å; K138-W341 HydrophobicContact CB-CH2 4.08Å; K138-W341 HydrophobicContact CB-CZ2 3.86Å; K138-W341 HydrophobicContact CB-CZ3 4.45Å; K138-W341 HydrophobicContact CD-CD2 4.29Å; K138-W341 HydrophobicContact CD-CG 4.32Å; K138-W341 HydrophobicContact CG-CZ2 4.07Å
139	R	90.9	Very high	91.7	Very high	21 Å²	21	55.6 Å²	55.6	8%	0.079	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	146.2	178.8	-64.3	-62.3	178.8	-102.8	12.5	111.9	F124 I126 V137 H143 F144 E227 F228 D230	F124-R139 WeakPolarHBondContact CD2-O 3.34Å; F124-R139 PolarHBondContact N-O 3.17Å; F124-R139 PolarHBondContact O-N 3.16Å; I126-R139 HydrophobicContact CD1-CB 4.24Å; I126-R139 HydrophobicContact CD1-CG 4.28Å; V137-R139 HydrophobicContact CG1-CG 3.85Å; R139-H143 HydrophobicContact CB-CB 4.32Å; R139-F144 HydrophobicContact CB-CD2 4.44Å; R139-F144 HydrophobicContact CB-CE2 3.87Å; R139-E227 PolarHBondContact NH2-O 3.16Å; R139-F228 HydrophobicContact CB-CE2 4.16Å; R139-F228 HydrophobicContact CB-CZ 4.1Å; R139-F228 HydrophobicContact CG-CD2 4.28Å; R139-F228 HydrophobicContact CG-CE1 4.22Å; R139-F228 HydrophobicContact CG-CE2 3.76Å; R139-F228 HydrophobicContact CG-CZ 3.72Å; R139-F228 PolarHBondContact NE-O 2.85Å; R139-F228 VanDerWaalsContact NH2-C 3.33Å; R139-F228 PolarHBondContact NH2-O 2.84Å; R139-D230 IonicContact CZ-OD1 3.97Å; R139-D230 IonicContact CZ-OD2 3.55Å; R139-D230 IonicContact NH1-OD1 3.6Å; R139-D230 IonicContact NH1-OD2 3.9Å; R139-D230 PolarHBondContact NH1-OD2 3.15Å; R139-D230 IonicContact NH2-OD1 2.78Å; R139-D230 PolarHBondContact NH2-OD1 2.85Å; R139-D230 IonicContact NH2-OD2 3.85Å; R139-D230 PolarHBondContact NH2-OD2 3.24Å
140	K	88.1	Confident	91.4	Very high	67 Å²	67	53 Å²	53	29%	0.291	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	159.4	171.2	-69.5	176.4	-178.5	-178.1	0	108.6	P121 V123 K142 H143 F144	P121-K140 HydrophobicContact CG-CD 4.34Å; V123-K140 HydrophobicContact CG2-CG 3.99Å; K140-K142 HydrophobicContact CB-CG 4Å; K140-K142 HydrophobicContact CD-CD 4.41Å; K140-K142 PolarHBondContact O-N 2.7Å; K140-K142 VanDerWaalsContact O-N 3.17Å; K140-H143 PolarHBondContact N-ND1 3.31Å; K140-H143 VanDerWaalsContact N-ND1 3.16Å; K140-H143 WeakPolarHBondContact O-CB 3.19Å; K140-H143 PolarHBondContact O-N 2.68Å; K140-F144 WeakPolarHBondContact O-CD2 3.44Å
141	E	83.9	Confident	91.2	Very high	54 Å²	54	53 Å²	53	25%	0.252	25%	0.253	S	S	.	.	H	α-helix	trans	-52.2	-39.8	175.1	-174.1	161.5	-149.9	0	0	113	F124 H143 F144 L145 R202	F124-E141 HydrophobicContact CE2-CB 4.26Å; E141-H143 PolarHBondContact O-N 2.75Å; E141-F144 WeakPolarHBondContact O-CB 3.22Å; E141-F144 PolarHBondContact O-N 2.85Å; E141-L145 HydrophobicContact CG-CD1 4.48Å; E141-L145 PolarHBondContact O-N 2.94Å; E141-L145 VanDerWaalsContact O-N 3.14Å; E141-R202 IonicContact OE1-CZ 3.88Å; E141-R202 VanDerWaalsContact OE1-CZ 3.29Å; E141-R202 IonicContact OE1-NE 3.55Å; E141-R202 PolarHBondContact OE1-NE 3.13Å; E141-R202 IonicContact OE1-NH2 3.7Å; E141-R202 PolarHBondContact OE1-NH2 3.31Å
142	K	86.4	Confident	90.9	Very high	97 Å²	97	56.4 Å²	56.4	42%	0.422	26%	0.256	S	S	.	.	H	α-helix	trans	-55.5	-33.8	174	79	-178.1	-157.3	74.8	0	113.7	K140 F144 L145 E146	K140-K142 HydrophobicContact CB-CG 4Å; K140-K142 HydrophobicContact CD-CD 4.41Å; K140-K142 PolarHBondContact O-N 2.7Å; K140-K142 VanDerWaalsContact O-N 3.17Å; K142-F144 VanDerWaalsContact C-N 3.35Å; K142-L145 PolarHBondContact O-N 2.9Å; K142-E146 IonicContact NZ-OE1 3.18Å; K142-E146 PolarHBondContact NZ-OE1 3.34Å; K142-E146 IonicContact NZ-OE2 3.44Å; K142-E146 WeakPolarHBondContact O-CB 3.39Å; K142-E146 WeakPolarHBondContact O-CG 3.32Å; K142-E146 PolarHBondContact O-N 2.88Å
143	H	90.9	Very high	90.7	Very high	50 Å²	50	52.2 Å²	52.2	23%	0.231	24%	0.238	C	C	.	.	H	α-helix	trans	-71.7	-31.3	179	-56.6	156.6	0	0	0	111.7	R139 K140 E141 E146 L147 F228	R139-H143 HydrophobicContact CB-CB 4.32Å; K140-H143 PolarHBondContact N-ND1 3.31Å; K140-H143 VanDerWaalsContact N-ND1 3.16Å; K140-H143 WeakPolarHBondContact O-CB 3.19Å; K140-H143 PolarHBondContact O-N 2.68Å; E141-H143 PolarHBondContact O-N 2.75Å; H143-E146 IonicContact CD2-OE2 2.74Å; H143-E146 PolarHBondContact CD2-OE2 3.24Å; H143-L147 WeakPolarHBondContact O-CB 3.5Å; H143-L147 PolarHBondContact O-N 3.19Å; H143-F228 HydrophobicContact CB-CD2 4.37Å; H143-F228 HydrophobicContact CB-CE2 4Å
144	F	91.9	Very high	90.1	Very high	1 Å²	1	52.1 Å²	52.1	0%	0.004	24%	0.238	C	C	.	.	H	α-helix	trans	-69.2	-40.2	173.2	-70.4	-103.1	0	0	0	111.1	F124 I126 R139 K140 E141 K142 H148 L185 L206 Y209 I210 F228	F124-F144 AromaticContact CD2-CE2 3.99Å; F124-F144 HydrophobicContact CD2-CE2 3.99Å; F124-F144 HydrophobicContact CG-CE2 4.36Å; I126-F144 HydrophobicContact CD1-CE2 4.46Å; I126-F144 HydrophobicContact CD1-CZ 3.81Å; R139-F144 HydrophobicContact CB-CD2 4.44Å; R139-F144 HydrophobicContact CB-CE2 3.87Å; K140-F144 WeakPolarHBondContact O-CD2 3.44Å; E141-F144 WeakPolarHBondContact O-CB 3.22Å; E141-F144 PolarHBondContact O-N 2.85Å; K142-F144 VanDerWaalsContact C-N 3.35Å; F144-H148 WeakPolarHBondContact O-CB 3.45Å; F144-H148 PolarHBondContact O-N 3.04Å; F144-L185 HydrophobicContact CB-CD1 3.99Å; F144-L206 HydrophobicContact CD1-CB 4.43Å; F144-L206 HydrophobicContact CD1-CD2 3.79Å; F144-L206 HydrophobicContact CD1-CG 4.49Å; F144-L206 HydrophobicContact CE1-CB 3.81Å; F144-L206 HydrophobicContact CE1-CD1 4.29Å; F144-L206 HydrophobicContact CE1-CD2 4.03Å; F144-L206 HydrophobicContact CE1-CG 4.26Å; F144-L206 HydrophobicContact CE2-CD1 4.3Å; F144-L206 HydrophobicContact CG-CD2 4.18Å; F144-L206 HydrophobicContact CZ-CB 4.18Å; F144-L206 HydrophobicContact CZ-CD1 4.16Å; F144-Y209 HydrophobicContact CD1-CD1 4.34Å; F144-I210 HydrophobicContact CD1-CD1 4.3Å; F144-I210 HydrophobicContact CD1-CG1 4.38Å; F144-I210 HydrophobicContact CE1-CD1 3.29Å; F144-I210 HydrophobicContact CE1-CG1 3.76Å; F144-I210 HydrophobicContact CZ-CD1 3.76Å; F144-F228 HydrophobicContact CD1-CE2 4.44Å; F144-F228 AromaticContact CD1-CZ 3.85Å; F144-F228 HydrophobicContact CD1-CZ 3.85Å; F144-F228 HydrophobicContact CD2-CE2 4.28Å; F144-F228 HydrophobicContact CD2-CZ 4.11Å; F144-F228 AromaticContact CE1-CZ 3.84Å; F144-F228 HydrophobicContact CE1-CZ 3.84Å; F144-F228 HydrophobicContact CE2-CZ 4.05Å; F144-F228 HydrophobicContact CG-CE2 4.21Å; F144-F228 HydrophobicContact CG-CZ 4.01Å; F144-F228 AromaticContact CZ-CZ 3.92Å; F144-F228 HydrophobicContact CZ-CZ 3.92Å
145	L	90	Very high	89.5	Confident	97 Å²	97	50.2 Å²	50.2	51%	0.508	22%	0.223	S	C	.	.	H	α-helix	trans	-62.9	-47.3	174.5	-71.4	163.5	0	0	0	111.4	E141 K142 H148 R149 L185	E141-L145 HydrophobicContact CG-CD1 4.48Å; E141-L145 PolarHBondContact O-N 2.94Å; E141-L145 VanDerWaalsContact O-N 3.14Å; K142-L145 PolarHBondContact O-N 2.9Å; L145-H148 PolarHBondContact O-N 2.9Å; L145-R149 PolarHBondContact O-N 2.8Å; L145-L185 HydrophobicContact CB-CD2 4.46Å; L145-L185 HydrophobicContact CD2-CD2 3.39Å; L145-L185 HydrophobicContact CG-CD2 3.95Å
146	E	92	Very high	88.8	Confident	93 Å²	93	52.4 Å²	52.4	44%	0.435	24%	0.238	S	C	.	.	H	α-helix	trans	-57.2	-52.1	175	-73.5	160.3	-159.1	0	0	110.5	K142 H143 H148 R149 E150	K142-E146 IonicContact NZ-OE1 3.18Å; K142-E146 PolarHBondContact NZ-OE1 3.34Å; K142-E146 IonicContact NZ-OE2 3.44Å; K142-E146 WeakPolarHBondContact O-CB 3.39Å; K142-E146 WeakPolarHBondContact O-CG 3.32Å; K142-E146 PolarHBondContact O-N 2.88Å; H143-E146 IonicContact CD2-OE2 2.74Å; H143-E146 PolarHBondContact CD2-OE2 3.24Å; E146-H148 PolarHBondContact O-N 3.02Å; E146-R149 WeakPolarHBondContact O-CB 3.3Å; E146-R149 PolarHBondContact O-N 2.79Å; E146-E150 WeakPolarHBondContact O-CG 3.37Å; E146-E150 PolarHBondContact O-N 2.93Å
147	L	93.1	Very high	87.9	Confident	9 Å²	9	49.2 Å²	49.2	5%	0.047	22%	0.222	C	C	.	.	H	α-helix	trans	-58	-45.2	176.4	176.1	65.1	0	0	0	112.3	H143 R149 E150 L151 L213 H224 F228	H143-L147 WeakPolarHBondContact O-CB 3.5Å; H143-L147 PolarHBondContact O-N 3.19Å; L147-R149 VanDerWaalsContact C-N 3.3Å; L147-R149 PolarHBondContact O-N 2.97Å; L147-E150 PolarHBondContact O-N 3.1Å; L147-L151 HydrophobicContact CD1-CD1 3.9Å; L147-L151 HydrophobicContact CD1-CG 3.96Å; L147-L151 HydrophobicContact CD2-CD1 4.31Å; L147-L151 HydrophobicContact CG-CD1 3.76Å; L147-L151 HydrophobicContact CG-CG 4.26Å; L147-L151 WeakPolarHBondContact O-CB 3.21Å; L147-L151 VanDerWaalsContact O-CG 3.27Å; L147-L151 WeakPolarHBondContact O-CG 3.42Å; L147-L151 PolarHBondContact O-N 3.38Å; L147-L213 HydrophobicContact CD2-CD1 4.26Å; L147-H224 HydrophobicContact CD1-CB 4.17Å; L147-F228 HydrophobicContact CB-CD2 3.98Å; L147-F228 HydrophobicContact CB-CE2 4.47Å; L147-F228 HydrophobicContact CB-CG 4.47Å; L147-F228 HydrophobicContact CD1-CB 4.22Å; L147-F228 HydrophobicContact CD2-CB 3.93Å; L147-F228 HydrophobicContact CD2-CD1 3.85Å; L147-F228 HydrophobicContact CD2-CD2 3.82Å; L147-F228 HydrophobicContact CD2-CE1 4.31Å; L147-F228 HydrophobicContact CD2-CE2 4.27Å; L147-F228 HydrophobicContact CD2-CG 3.59Å; L147-F228 HydrophobicContact CD2-CZ 4.5Å; L147-F228 HydrophobicContact CG-CB 4.5Å; L147-F228 HydrophobicContact CG-CD2 4.43Å; L147-F228 HydrophobicContact CG-CG 4.45Å
148	H	91.8	Very high	86.7	Confident	14 Å²	14	50.9 Å²	50.9	7%	0.065	23%	0.23	C	C	.	.	H	α-helix	trans	-63.2	-37.8	-179.9	-169.5	71.1	0	0	0	112	F144 L145 E146 R152 M182 P183 L185 Y209	F144-H148 WeakPolarHBondContact O-CB 3.45Å; F144-H148 PolarHBondContact O-N 3.04Å; L145-H148 PolarHBondContact O-N 2.9Å; E146-H148 PolarHBondContact O-N 3.02Å; H148-R152 PolarHBondContact CD2-NE 3.14Å; H148-R152 PolarHBondContact NE2-NE 3.48Å; H148-R152 PolarHBondContact NE2-NH2 3.48Å; H148-R152 VanDerWaalsContact NE2-NH2 3.2Å; H148-R152 WeakPolarHBondContact O-CG 3.31Å; H148-R152 PolarHBondContact O-N 2.99Å; H148-M182 WeakPolarHBondContact ND1-CE 3.34Å; H148-P183 PolarHBondContact CE1-O 3.25Å; H148-L185 HydrophobicContact CB-CB 4.05Å; H148-L185 HydrophobicContact CB-CD2 3.94Å; H148-L185 HydrophobicContact CB-CG 4.41Å; H148-L185 PolarHBondContact CE1-N 3.32Å; H148-Y209 WeakPolarHBondContact CB-OH 3.47Å; H148-Y209 AromaticContact ND1-CE2 3.7Å; H148-Y209 AromaticContact ND1-CZ 3.65Å; H148-Y209 PolarHBondContact ND1-OH 3.44Å
149	R	91.8	Very high	85.5	Confident	184 Å²	184	55 Å²	55	69%	0.694	24%	0.244	S	C	*	.	H	α-helix	trans	-61.5	-50.8	174.6	-175.7	-178.4	178.3	179.9	-0.7	110.6	L145 E146 L147 L151 R152 T153	L145-R149 PolarHBondContact O-N 2.8Å; E146-R149 WeakPolarHBondContact O-CB 3.3Å; E146-R149 PolarHBondContact O-N 2.79Å; L147-R149 VanDerWaalsContact C-N 3.3Å; L147-R149 PolarHBondContact O-N 2.97Å; R149-L151 VanDerWaalsContact C-N 3.35Å; R149-L151 PolarHBondContact O-N 3.23Å; R149-R152 WeakPolarHBondContact O-CB 3.26Å; R149-R152 PolarHBondContact O-N 2.79Å; R149-R152 VanDerWaalsContact O-N 3.17Å; R149-T153 PolarHBondContact O-N 3.37Å; R149-T153 PolarHBondContact O-OG1 3.49Å
150	E	90.5	Very high	84.3	Confident	61 Å²	61	56.1 Å²	56.1	29%	0.285	25%	0.251	S	S	.	.	H	α-helix	trans	-60.3	-42.9	179.1	-66	-56.3	145.2	0	0	112.3	E146 L147 R152 T153 Y154 Y222 H224	E146-E150 WeakPolarHBondContact O-CG 3.37Å; E146-E150 PolarHBondContact O-N 2.93Å; L147-E150 PolarHBondContact O-N 3.1Å; E150-R152 VanDerWaalsContact C-N 3.34Å; E150-R152 PolarHBondContact O-N 3.16Å; E150-T153 WeakPolarHBondContact O-CB 3.38Å; E150-T153 PolarHBondContact O-N 3.48Å; E150-Y154 WeakPolarHBondContact O-CB 3.29Å; E150-Y154 PolarHBondContact O-N 3.31Å; E150-Y222 HydrophobicContact CB-CE1 4.29Å; E150-H224 HydrophobicContact CB-CB 4.14Å; E150-H224 HydrophobicContact CG-CB 4.46Å; E150-H224 IonicContact OE2-CE1 3.47Å; E150-H224 IonicContact OE2-ND1 2.99Å; E150-H224 IonicContact OE2-NE2 3.75Å
151	L	89.4	Confident	82.6	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-66.9	-33.2	177.5	-69	171.5	0	0	0	112.9	L147 R149 K155 M182 L213 Y219 Y222	L147-L151 HydrophobicContact CD1-CD1 3.9Å; L147-L151 HydrophobicContact CD1-CG 3.96Å; L147-L151 HydrophobicContact CD2-CD1 4.31Å; L147-L151 HydrophobicContact CG-CD1 3.76Å; L147-L151 HydrophobicContact CG-CG 4.26Å; L147-L151 WeakPolarHBondContact O-CB 3.21Å; L147-L151 VanDerWaalsContact O-CG 3.27Å; L147-L151 WeakPolarHBondContact O-CG 3.42Å; L147-L151 PolarHBondContact O-N 3.38Å; R149-L151 VanDerWaalsContact C-N 3.35Å; R149-L151 PolarHBondContact O-N 3.23Å; L151-K155 VanDerWaalsContact O-CB 3.3Å; L151-K155 WeakPolarHBondContact O-CB 3.39Å; L151-K155 PolarHBondContact O-N 2.97Å; L151-M182 HydrophobicContact CB-CE 3.22Å; L151-M182 HydrophobicContact CB-SD 4.3Å; L151-M182 HydrophobicContact CD1-CE 4.06Å; L151-M182 HydrophobicContact CG-CE 4.29Å; L151-L213 HydrophobicContact CD1-CD1 3.68Å; L151-L213 HydrophobicContact CD1-CD2 3.83Å; L151-L213 HydrophobicContact CD1-CG 4.42Å; L151-Y219 HydrophobicContact CD2-CD1 3.81Å; L151-Y219 HydrophobicContact CD2-CG 4.39Å; L151-Y222 HydrophobicContact CD2-CD1 3.69Å; L151-Y222 HydrophobicContact CD2-CE1 4.44Å; L151-Y222 HydrophobicContact CD2-CG 4.38Å
152	R	86.9	Confident	81.3	Confident	104 Å²	104	57.4 Å²	57.4	39%	0.392	27%	0.268	S	S	.	.	H	α-helix	trans	-66.5	-44.9	171.4	-79.7	-173.3	-178.8	-164.4	1.3	111.2	H148 R149 E150 Y154 K155 T156 M182	H148-R152 PolarHBondContact CD2-NE 3.14Å; H148-R152 PolarHBondContact NE2-NE 3.48Å; H148-R152 PolarHBondContact NE2-NH2 3.48Å; H148-R152 VanDerWaalsContact NE2-NH2 3.2Å; H148-R152 WeakPolarHBondContact O-CG 3.31Å; H148-R152 PolarHBondContact O-N 2.99Å; R149-R152 WeakPolarHBondContact O-CB 3.26Å; R149-R152 PolarHBondContact O-N 2.79Å; R149-R152 VanDerWaalsContact O-N 3.17Å; E150-R152 VanDerWaalsContact C-N 3.34Å; E150-R152 PolarHBondContact O-N 3.16Å; R152-Y154 VanDerWaalsContact C-N 3.32Å; R152-Y154 PolarHBondContact O-N 2.93Å; R152-K155 PolarHBondContact O-N 3.43Å; R152-T156 WeakPolarHBondContact O-CB 3.31Å; R152-T156 PolarHBondContact O-N 3.19Å; R152-T156 PolarHBondContact O-OG1 2.88Å; R152-M182 HydrophobicContact CG-CE 4.27Å; R152-M182 HydrophobicContact CG-SD 4.19Å
153	T	85.7	Confident	79.5	Confident	21 Å²	21	59.3 Å²	59.3	13%	0.129	29%	0.29	C	S	.	.	H	α-helix	trans	-55.9	-50.4	174.3	-54.9	0	0	0	0	110	L37 R149 E150 K155 T156 L157	L37-T153 HydrophobicContact CD1-CG2 3.58Å; R149-T153 PolarHBondContact O-N 3.37Å; R149-T153 PolarHBondContact O-OG1 3.49Å; E150-T153 WeakPolarHBondContact O-CB 3.38Å; E150-T153 PolarHBondContact O-N 3.48Å; T153-K155 PolarHBondContact O-N 3.48Å; T153-T156 WeakPolarHBondContact O-CB 3.37Å; T153-T156 PolarHBondContact O-N 3.45Å; T153-T156 VanDerWaalsContact O-N 3.13Å; T153-L157 HydrophobicContact CG2-CD1 4.15Å; T153-L157 HydrophobicContact CG2-CG 4.47Å; T153-L157 WeakPolarHBondContact O-CG 3.46Å; T153-L157 PolarHBondContact O-N 3.31Å
154	Y	82.6	Confident	77.8	Confident	6 Å²	6	59 Å²	59	2%	0.024	29%	0.294	C	S	.	.	H	α-helix	trans	-58.4	-45.4	176.6	-177.5	-117.2	0	0	0	112.9	E150 R152 T156 L157 M158 M218 Y219 Y222	E150-Y154 WeakPolarHBondContact O-CB 3.29Å; E150-Y154 PolarHBondContact O-N 3.31Å; R152-Y154 VanDerWaalsContact C-N 3.32Å; R152-Y154 PolarHBondContact O-N 2.93Å; Y154-T156 VanDerWaalsContact C-N 3.31Å; Y154-T156 PolarHBondContact O-N 2.85Å; Y154-L157 PolarHBondContact O-N 3.26Å; Y154-M158 HydrophobicContact CE2-CG 4.36Å; Y154-M158 WeakPolarHBondContact O-CG 3.35Å; Y154-M158 PolarHBondContact O-N 2.95Å; Y154-M158 VanDerWaalsContact O-N 3.11Å; Y154-M218 HydrophobicContact CE1-CE 3.92Å; Y154-M218 HydrophobicContact CE1-CG 3.99Å; Y154-Y219 HydrophobicContact CD1-CD1 4.37Å; Y154-Y219 HydrophobicContact CD1-CE1 4.39Å; Y154-Y222 AromaticContact CD1-CD2 3.99Å; Y154-Y222 HydrophobicContact CD1-CD2 3.99Å; Y154-Y222 HydrophobicContact CD1-CE2 4.35Å; Y154-Y222 HydrophobicContact CD1-CG 4.15Å; Y154-Y222 AromaticContact CD2-CD2 3.67Å; Y154-Y222 HydrophobicContact CD2-CD2 3.67Å; Y154-Y222 AromaticContact CD2-CE2 3.37Å; Y154-Y222 HydrophobicContact CD2-CE2 3.37Å; Y154-Y222 HydrophobicContact CE1-CD2 4.06Å; Y154-Y222 HydrophobicContact CE1-CG 4.37Å; Y154-Y222 AromaticContact CE2-CD2 3.76Å; Y154-Y222 HydrophobicContact CE2-CD2 3.76Å; Y154-Y222 AromaticContact CE2-CE2 3.82Å; Y154-Y222 HydrophobicContact CE2-CE2 3.82Å; Y154-Y222 AromaticContact CG-CD2 3.79Å; Y154-Y222 HydrophobicContact CG-CD2 3.79Å; Y154-Y222 HydrophobicContact CG-CE1 4.42Å; Y154-Y222 AromaticContact CG-CE2 3.68Å; Y154-Y222 HydrophobicContact CG-CE2 3.68Å; Y154-Y222 HydrophobicContact CG-CG 4.25Å; Y154-Y222 AromaticContact CZ-CD2 3.96Å
155	K	83.4	Confident	75.8	Confident	33 Å²	33	69.9 Å²	69.9	14%	0.143	34%	0.335	C	S	.	.	H	α-helix	trans	-59.5	-40.6	174.9	-175.8	-177.8	-171.6	177.9	0	112	L151 R152 T153 R159 V179 R180 M182	L151-K155 VanDerWaalsContact O-CB 3.3Å; L151-K155 WeakPolarHBondContact O-CB 3.39Å; L151-K155 PolarHBondContact O-N 2.97Å; R152-K155 PolarHBondContact O-N 3.43Å; T153-K155 PolarHBondContact O-N 3.48Å; K155-R159 WeakPolarHBondContact O-CG 3.26Å; K155-V179 WeakPolarHBondContact CE-O 3.29Å; K155-R180 PolarHBondContact NZ-O 3.07Å; K155-R180 VanDerWaalsContact NZ-O 3.1Å; K155-M182 HydrophobicContact CD-CB 3.95Å; K155-M182 HydrophobicContact CD-SD 3.95Å
156	T	80.4	Confident	73.9	Confident	58 Å²	58	68.2 Å²	68.2	36%	0.356	33%	0.331	S	S	.	.	H	α-helix	trans	-69.7	-44.4	177.7	-60.6	0	0	0	0	111.3	R152 T153 Y154 M158 R159 I160	R152-T156 WeakPolarHBondContact O-CB 3.31Å; R152-T156 PolarHBondContact O-N 3.19Å; R152-T156 PolarHBondContact O-OG1 2.88Å; T153-T156 WeakPolarHBondContact O-CB 3.37Å; T153-T156 PolarHBondContact O-N 3.45Å; T153-T156 VanDerWaalsContact O-N 3.13Å; Y154-T156 VanDerWaalsContact C-N 3.31Å; Y154-T156 PolarHBondContact O-N 2.85Å; T156-M158 VanDerWaalsContact C-N 3.27Å; T156-M158 PolarHBondContact O-N 2.95Å; T156-R159 WeakPolarHBondContact O-CA 3.43Å; T156-R159 WeakPolarHBondContact O-CB 3.14Å; T156-R159 PolarHBondContact O-N 3.47Å; T156-I160 HydrophobicContact CG2-CD1 4.22Å; T156-I160 HydrophobicContact CG2-CG1 4.49Å; T156-I160 WeakPolarHBondContact O-CG1 3.42Å; T156-I160 PolarHBondContact O-N 3.44Å; T156-I160 VanDerWaalsContact O-N 3.16Å
157	L	73.2	Confident	72	Confident	14 Å²	14	66 Å²	66	7%	0.073	32%	0.321	C	S	.	.	H	α-helix	trans	-55.7	-41.9	176.8	-74.1	170.5	0	0	0	111.9	L37 L41 L46 T153 Y154 R159 I160	L37-L157 HydrophobicContact CD2-CD2 4.2Å; L37-L157 HydrophobicContact CG-CD2 4.23Å; L41-L157 HydrophobicContact CD2-CD2 3.86Å; L46-L157 HydrophobicContact CD2-CB 4.41Å; T153-L157 HydrophobicContact CG2-CD1 4.15Å; T153-L157 HydrophobicContact CG2-CG 4.47Å; T153-L157 WeakPolarHBondContact O-CG 3.46Å; T153-L157 PolarHBondContact O-N 3.31Å; Y154-L157 PolarHBondContact O-N 3.26Å; L157-R159 PolarHBondContact O-N 3.21Å; L157-I160 PolarHBondContact O-N 2.93Å
158	M	67.8	Low	70.1	Confident	37 Å²	37	69.2 Å²	69.2	18%	0.182	34%	0.341	C	S	.	.	H	α-helix	trans	-66.3	-21.4	176.3	-67.5	-65.2	-71.2	0	0	113.5	L46 Y154 T156 M218	L46-M158 HydrophobicContact CD2-SD 3.88Å; Y154-M158 HydrophobicContact CE2-CG 4.36Å; Y154-M158 WeakPolarHBondContact O-CG 3.35Å; Y154-M158 PolarHBondContact O-N 2.95Å; Y154-M158 VanDerWaalsContact O-N 3.11Å; T156-M158 VanDerWaalsContact C-N 3.27Å; T156-M158 PolarHBondContact O-N 2.95Å; M158-M218 HydrophobicContact CB-CE 4.14Å; M158-M218 HydrophobicContact CE-CE 3.82Å; M158-M218 HydrophobicContact CG-CE 3.6Å; M158-M218 HydrophobicContact SD-CE 4.4Å
159	R	65.4	Low	68.2	Low	135 Å²	135	73.3 Å²	73.3	51%	0.509	37%	0.367	S	S	.	.	H	α-helix	trans	-87.6	-21	177.3	-68.2	173	176.2	-157.6	-5.5	113.5	K155 T156 L157 V179	K155-R159 WeakPolarHBondContact O-CG 3.26Å; T156-R159 WeakPolarHBondContact O-CA 3.43Å; T156-R159 WeakPolarHBondContact O-CB 3.14Å; T156-R159 PolarHBondContact O-N 3.47Å; L157-R159 PolarHBondContact O-N 3.21Å; R159-V179 HydrophobicContact CG-CG1 4.39Å; R159-V179 PolarHBondContact NH2-O 3.06Å; R159-V179 VanDerWaalsContact NH2-O 3.08Å
160	I	64.8	Low	66.5	Low	43 Å²	43	65.7 Å²	65.7	22%	0.221	34%	0.338	C	S	.	.	S	Bend	trans	-77	123.3	-177.9	-65.4	168.4	0	0	0	110.7	M34 L37 T156 L157 L162 R171	M34-I160 HydrophobicContact CE-CD1 4.22Å; L37-I160 HydrophobicContact CD2-CD1 3.72Å; T156-I160 HydrophobicContact CG2-CD1 4.22Å; T156-I160 HydrophobicContact CG2-CG1 4.49Å; T156-I160 WeakPolarHBondContact O-CG1 3.42Å; T156-I160 PolarHBondContact O-N 3.44Å; T156-I160 VanDerWaalsContact O-N 3.16Å; L157-I160 PolarHBondContact O-N 2.93Å; I160-L162 PolarHBondContact O-N 3.03Å; I160-L162 VanDerWaalsContact O-N 3.12Å; I160-R171 PolarHBondContact O-NH2 3.28Å
161	P	52.7	Low	64.9	Low	100 Å²	100	68.8 Å²	68.8	65%	0.649	35%	0.347	S	S	*	.			trans	-67.2	106.4	177	26	-30.7	0	0	0	111.7	R171	P161-R171 VanDerWaalsContact CA-NH1 3.34Å
162	L	56.3	Low	63.1	Low	48 Å²	48	77.4 Å²	77.4	25%	0.251	38%	0.384	S	S	.	.			trans	-97.7	142.5	173.4	-69	168.7	0	0	0	110.6	L46 I160 S164	L46-L162 HydrophobicContact CD1-CD1 3.36Å; I160-L162 PolarHBondContact O-N 3.03Å; I160-L162 VanDerWaalsContact O-N 3.12Å; L162-S164 PolarHBondContact O-N 2.87Å
163	P	48.3	Very low	61.3	Low	137 Å²	137	75.6 Å²	75.6	89%	0.89	39%	0.385	S	S	*	.	S	Bend	trans	-76.2	9.7	-167.2	28.4	-34.2	0	0	0	115.6
164	S	56.2	Low	59.8	Low	44 Å²	44	76 Å²	76	31%	0.308	39%	0.387	S	S	.	.			trans	-85.7	139.5	-177.2	160.4	0	0	0	0	112.7	L162 S166 H167 T168	L162-S164 PolarHBondContact O-N 2.87Å; S164-S166 VanDerWaalsContact C-N 3.33Å; S164-S166 PolarHBondContact O-N 3.13Å; S164-S166 PolarHBondContact OG-N 3.44Å; S164-S166 PolarHBondContact OG-OG 2.94Å; S164-H167 WeakPolarHBondContact CB-CD2 3.43Å; S164-H167 PolarHBondContact O-N 3Å; S164-H167 PolarHBondContact OG-CD2 2.97Å; S164-T168 PolarHBondContact O-N 3.43Å; S164-T168 VanDerWaalsContact O-N 3.08Å; S164-T168 PolarHBondContact O-OG1 3.11Å
165	R	49.2	Very low	58.5	Low	229 Å²	229	84.4 Å²	84.4	86%	0.864	42%	0.419	S	S	*	.	H	α-helix	trans	-60.6	-36.5	176.2	-107.9	-178.3	166.7	-175.6	-4.1	112.5	T168 V169	R165-T168 PolarHBondContact O-N 3.3Å; R165-V169 WeakPolarHBondContact O-CG2 3.4Å; R165-V169 PolarHBondContact O-N 2.84Å
166	S	49.6	Very low	56.9	Low	63 Å²	63	91.1 Å²	91.1	44%	0.441	45%	0.448	S	S	.	.	H	α-helix	trans	-69.3	-35.8	176.6	62.6	0	0	0	0	112.1	S164 T168 R170	S164-S166 VanDerWaalsContact C-N 3.33Å; S164-S166 PolarHBondContact O-N 3.13Å; S164-S166 PolarHBondContact OG-N 3.44Å; S164-S166 PolarHBondContact OG-OG 2.94Å; S166-T168 VanDerWaalsContact C-N 3.31Å; S166-T168 PolarHBondContact O-N 3.38Å; S166-R170 PolarHBondContact O-N 2.94Å
167	H	53.6	Low	55.4	Low	45 Å²	45	91.3 Å²	91.3	21%	0.208	45%	0.452	C	S	.	.	H	α-helix	trans	-70.3	-30.2	177	-65.8	-132.1	0	0	0	111.6	S164 R171	S164-H167 WeakPolarHBondContact CB-CD2 3.43Å; S164-H167 PolarHBondContact O-N 3Å; S164-H167 PolarHBondContact OG-CD2 2.97Å; H167-R171 PolarHBondContact O-N 2.89Å
168	T	53.5	Low	54.5	Low	77 Å²	77	94.2 Å²	94.2	47%	0.472	47%	0.465	S	S	.	.	H	α-helix	trans	-74.9	-40.4	179.6	-54.7	0	0	0	0	112.6	S164 R165 S166	S164-T168 PolarHBondContact O-N 3.43Å; S164-T168 VanDerWaalsContact O-N 3.08Å; S164-T168 PolarHBondContact O-OG1 3.11Å; R165-T168 PolarHBondContact O-N 3.3Å; S166-T168 VanDerWaalsContact C-N 3.31Å; S166-T168 PolarHBondContact O-N 3.38Å
169	V	50.7	Low	53.9	Low	100 Å²	100	93.7 Å²	93.7	61%	0.606	46%	0.464	S	S	*	.	H	α-helix	trans	-66.4	-41.4	176.3	173.8	0	0	0	0	110.6	R165 R171 K172	R165-V169 WeakPolarHBondContact O-CG2 3.4Å; R165-V169 PolarHBondContact O-N 2.84Å; V169-R171 PolarHBondContact O-N 3.47Å; V169-K172 WeakPolarHBondContact O-CB 3.35Å; V169-K172 PolarHBondContact O-N 2.99Å; V169-K172 VanDerWaalsContact O-N 3.09Å
170	R	55.4	Low	53.4	Low	25 Å²	25	96 Å²	96	9%	0.094	47%	0.473	C	S	.	.	H	α-helix	trans	-72.7	-27.8	-175.9	-164.2	143.5	116.8	-118.4	-1.3	115.4	L46 D47 L48 S166 K172 T173 V174	L46-R170 VanDerWaalsContact C-NH2 3.27Å; L46-R170 PolarHBondContact O-NH1 3.47Å; L46-R170 PolarHBondContact O-NH2 3.18Å; D47-R170 VanDerWaalsContact CA-NH1 3.31Å; L48-R170 VanDerWaalsContact CA-CZ 3.49Å; L48-R170 VanDerWaalsContact CB-CZ 3.41Å; L48-R170 VanDerWaalsContact CD1-NH2 3.28Å; L48-R170 WeakPolarHBondContact O-CD 3.34Å; L48-R170 VanDerWaalsContact O-CZ 3.31Å; L48-R170 PolarHBondContact O-NE 3.41Å; L48-R170 PolarHBondContact O-NH1 3.12Å; S166-R170 PolarHBondContact O-N 2.94Å; R170-K172 PolarHBondContact O-N 2.86Å; R170-T173 PolarHBondContact O-N 3.41Å; R170-T173 PolarHBondContact O-OG1 2.8Å; R170-V174 PolarHBondContact O-N 2.89Å
171	R	58.8	Low	53.4	Low	125 Å²	125	100.6 Å²	100.6	47%	0.472	49%	0.494	S	S	.	.	H	α-helix	trans	-63.8	-21.9	171	-170.4	176.4	-78.9	167.2	-4	112.4	I160 P161 H167 V169	I160-R171 PolarHBondContact O-NH2 3.28Å; P161-R171 VanDerWaalsContact CA-NH1 3.34Å; H167-R171 PolarHBondContact O-N 2.89Å; V169-R171 PolarHBondContact O-N 3.47Å
172	K	50.6	Low	54.6	Low	181 Å²	181	97 Å²	97	79%	0.787	47%	0.468	S	S	*	.	H	α-helix	trans	-84.2	-23.3	177.5	-67.5	-174.9	175.9	-177.3	0	113.3	V169 R170	V169-K172 WeakPolarHBondContact O-CB 3.35Å; V169-K172 PolarHBondContact O-N 2.99Å; V169-K172 VanDerWaalsContact O-N 3.09Å; R170-K172 PolarHBondContact O-N 2.86Å
173	T	49.8	Very low	55.8	Low	67 Å²	67	95.7 Å²	95.7	41%	0.411	46%	0.463	S	S	.	.	H	α-helix	trans	-95.5	-28.3	-175.8	55	0	0	0	0	114.4	E50 R170 R175	E50-T173 PolarHBondContact OE1-OG1 3.14Å; E50-T173 WeakPolarHBondContact OE2-CB 3.43Å; E50-T173 PolarHBondContact OE2-OG1 3.43Å; R170-T173 PolarHBondContact O-N 3.41Å; R170-T173 PolarHBondContact O-OG1 2.8Å; T173-R175 PolarHBondContact O-N 2.94Å
174	V	53.7	Low	57.4	Low	28 Å²	28	93.7 Å²	93.7	17%	0.17	45%	0.452	C	S	.	.	S	Bend	trans	-64.6	121.7	173	178.9	0	0	0	0	110.9	R170 K176 V179	R170-V174 PolarHBondContact O-N 2.89Å; V174-K176 PolarHBondContact O-N 3.45Å; V174-K176 VanDerWaalsContact O-N 3.12Å; V174-V179 HydrophobicContact CG1-CG2 3.49Å; V174-V179 VanDerWaalsContact CG1-CG2 3.49Å
175	R	54	Low	58.7	Low	183 Å²	183	92.4 Å²	92.4	69%	0.691	44%	0.442	S	S	*	.			trans	-55.3	118.6	174.6	-75.3	-176.3	175.6	179.9	1.4	109.8	T173 S177 E178	T173-R175 PolarHBondContact O-N 2.94Å; R175-S177 PolarHBondContact O-N 2.99Å; R175-E178 HydrophobicContact CB-CG 4.46Å; R175-E178 PolarHBondContact O-N 2.81Å; R175-E178 VanDerWaalsContact O-N 3.13Å
176	K	50.3	Low	60	Low	174 Å²	174	82.8 Å²	82.8	76%	0.757	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-20.7	-178.4	-86	179.8	177.5	172.7	0	114.6	V174 R180	V174-K176 PolarHBondContact O-N 3.45Å; V174-K176 VanDerWaalsContact O-N 3.12Å; K176-R180 WeakPolarHBondContact O-CG 3.32Å
177	S	50	Low	60.8	Low	63 Å²	63	90.5 Å²	90.5	44%	0.441	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-42.9	177.6	59.1	0	0	0	0	113	R175 V179 R180 E181	R175-S177 PolarHBondContact O-N 2.99Å; S177-V179 VanDerWaalsContact C-N 3.29Å; S177-V179 PolarHBondContact O-N 2.73Å; S177-R180 WeakPolarHBondContact O-CB 3.27Å; S177-R180 PolarHBondContact O-N 3.03Å; S177-E181 PolarHBondContact O-N 2.54Å
178	E	53	Low	60.9	Low	75 Å²	75	90.4 Å²	90.4	35%	0.35	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-32.8	-175.1	-65.7	-171.6	168.1	0	0	112.9	R175 R180 M216	R175-E178 HydrophobicContact CB-CG 4.46Å; R175-E178 PolarHBondContact O-N 2.81Å; R175-E178 VanDerWaalsContact O-N 3.13Å; E178-R180 PolarHBondContact O-N 2.73Å; E178-M216 WeakPolarHBondContact O-CE 3.42Å
179	V	56.2	Low	60.8	Low	26 Å²	26	88.5 Å²	88.5	16%	0.158	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-12.8	176.8	-176.5	0	0	0	0	112.4	K155 R159 V174 S177 M218	K155-V179 WeakPolarHBondContact CE-O 3.29Å; R159-V179 HydrophobicContact CG-CG1 4.39Å; R159-V179 PolarHBondContact NH2-O 3.06Å; R159-V179 VanDerWaalsContact NH2-O 3.08Å; V174-V179 HydrophobicContact CG1-CG2 3.49Å; V174-V179 VanDerWaalsContact CG1-CG2 3.49Å; S177-V179 VanDerWaalsContact C-N 3.29Å; S177-V179 PolarHBondContact O-N 2.73Å; V179-M218 HydrophobicContact CG2-CE 4.45Å; V179-M218 HydrophobicContact CG2-SD 4.27Å
180	R	54.8	Low	60.7	Low	183 Å²	183	87.5 Å²	87.5	69%	0.691	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-39.2	-178.1	-73.5	179.3	173.3	-171.7	-3.3	112.2	K155 K176 S177 E178 M182	K155-R180 PolarHBondContact NZ-O 3.07Å; K155-R180 VanDerWaalsContact NZ-O 3.1Å; K176-R180 WeakPolarHBondContact O-CG 3.32Å; S177-R180 WeakPolarHBondContact O-CB 3.27Å; S177-R180 PolarHBondContact O-N 3.03Å; E178-R180 PolarHBondContact O-N 2.73Å; R180-M182 PolarHBondContact O-N 2.95Å
181	E	64.3	Low	60.4	Low	140 Å²	140	94.1 Å²	94.1	65%	0.654	48%	0.482	S	S	*	.			trans	-90.5	34.1	-165.2	-64.1	-176.7	170.9	0	0	116.8	S177 M216	S177-E181 PolarHBondContact O-N 2.54Å; E181-M216 HydrophobicContact CB-CE 4.17Å; E181-M216 WeakPolarHBondContact O-CE 3.48Å
182	M	78.1	Confident	60.1	Low	24 Å²	24	94 Å²	94	12%	0.118	49%	0.487	C	S	.	.	P	Polyproline II helix	trans	-61.8	126.1	174.8	-171.4	-175.3	172.7	0	0	110.8	H148 L151 R152 K155 R180 Y219	H148-M182 WeakPolarHBondContact ND1-CE 3.34Å; L151-M182 HydrophobicContact CB-CE 3.22Å; L151-M182 HydrophobicContact CB-SD 4.3Å; L151-M182 HydrophobicContact CD1-CE 4.06Å; L151-M182 HydrophobicContact CG-CE 4.29Å; R152-M182 HydrophobicContact CG-CE 4.27Å; R152-M182 HydrophobicContact CG-SD 4.19Å; K155-M182 HydrophobicContact CD-CB 3.95Å; K155-M182 HydrophobicContact CD-SD 3.95Å; R180-M182 PolarHBondContact O-N 2.95Å; M182-Y219 HydrophobicContact CB-CE2 4.04Å; M182-Y219 HydrophobicContact CG-CE2 4.16Å
183	P	81.8	Confident	60.3	Low	21 Å²	21	87.7 Å²	87.7	14%	0.136	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-64.2	141.1	-179.7	25.8	-33.9	0	0	0	111.1	H148 Y209 T212 L213	H148-P183 PolarHBondContact CE1-O 3.25Å; P183-Y209 HydrophobicContact CB-CD2 4.05Å; P183-Y209 HydrophobicContact CB-CE2 4.34Å; P183-Y209 HydrophobicContact CG-CD2 4.11Å; P183-Y209 HydrophobicContact CG-CE2 4.09Å; P183-T212 HydrophobicContact CB-CG2 3.93Å; P183-T212 HydrophobicContact CG-CG2 3.95Å; P183-L213 HydrophobicContact CG-CD2 3.52Å; P183-L213 HydrophobicContact CG-CG 3.76Å
184	S	82	Confident	60.4	Low	94 Å²	94	88.7 Å²	88.7	66%	0.657	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-71.6	132.5	174.2	55.4	0	0	0	0	110.2	P186	S184-P186 WeakPolarHBondContact O-CD 3.27Å
185	L	83.3	Confident	60.7	Low	18 Å²	18	96.2 Å²	96.2	9%	0.094	50%	0.502	C	S	.	.	P	Polyproline II helix	trans	-66.1	125.3	169.6	-176	72.9	0	0	0	108.9	F144 L145 H148 R187 L206 Y209	F144-L185 HydrophobicContact CB-CD1 3.99Å; L145-L185 HydrophobicContact CB-CD2 4.46Å; L145-L185 HydrophobicContact CD2-CD2 3.39Å; L145-L185 HydrophobicContact CG-CD2 3.95Å; H148-L185 HydrophobicContact CB-CB 4.05Å; H148-L185 HydrophobicContact CB-CD2 3.94Å; H148-L185 HydrophobicContact CB-CG 4.41Å; H148-L185 PolarHBondContact CE1-N 3.32Å; L185-R187 PolarHBondContact O-N 2.9Å; L185-L206 HydrophobicContact CD1-CD2 4.19Å; L185-Y209 HydrophobicContact CB-CE2 4.15Å; L185-Y209 HydrophobicContact CD1-CD1 3.89Å; L185-Y209 HydrophobicContact CD1-CD2 4.34Å; L185-Y209 HydrophobicContact CD1-CE1 3.67Å; L185-Y209 HydrophobicContact CD1-CE2 4.14Å; L185-Y209 HydrophobicContact CD1-CG 4.22Å
186	P	77.1	Confident	60.8	Low	26 Å²	26	93.8 Å²	93.8	17%	0.169	50%	0.502	C	S	.	.	P	Polyproline II helix	trans	-58.2	124.5	176.2	-22.4	33.6	0	0	0	109.8	S184 R202 Q205	S184-P186 WeakPolarHBondContact O-CD 3.27Å; P186-R202 VanDerWaalsContact CB-NH1 3.31Å; P186-R202 VanDerWaalsContact O-CZ 3.26Å; P186-R202 PolarHBondContact O-NH1 2.93Å; P186-R202 PolarHBondContact O-NH2 2.93Å; P186-Q205 HydrophobicContact CB-CB 3.88Å; P186-Q205 HydrophobicContact CB-CG 4.49Å; P186-Q205 HydrophobicContact CG-CB 3.73Å
187	R	65.9	Low	61.2	Low	226 Å²	226	93.4 Å²	93.4	85%	0.853	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-82.9	129.2	177.9	-62.1	-173.7	-169.6	-158.6	3.4	109.9	L185	L185-R187 PolarHBondContact O-N 2.9Å
188	G	56.6	Low	62	Low	42 Å²	42	94 Å²	94	43%	0.433	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-95.2	134.7	169.7	0	0	0	0	0	109.7	G190	G188-G190 PolarHBondContact O-N 3.05Å
189	G	51	Low	62.7	Low	38 Å²	38	91.2 Å²	91.2	39%	0.392	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-61.9	128.5	168.6	0	0	0	0	0	109.4	D191 E192	G189-D191 PolarHBondContact O-N 2.74Å; G189-E192 PolarHBondContact O-N 3.29Å; G189-E192 VanDerWaalsContact O-N 3.11Å
190	G	47.7	Very low	63.4	Low	78 Å²	78	93 Å²	93	80%	0.804	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	122.2	177.2	0	0	0	0	0	109.8	G188	G188-G190 PolarHBondContact O-N 3.05Å
191	D	50.1	Low	64.4	Low	164 Å²	164	87.1 Å²	87.1	88%	0.877	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.2	6.4	-173.7	-68.7	-21.1	0	0	0	118.9	G189 L193	G189-D191 PolarHBondContact O-N 2.74Å; D191-L193 PolarHBondContact O-N 2.87Å
192	E	51	Low	65.2	Low	123 Å²	123	81.3 Å²	81.3	58%	0.575	46%	0.46	S	S	*	.			trans	-101.6	62.9	-172.7	-63.6	-171.8	144.3	0	0	116.2	G189	G189-E192 PolarHBondContact O-N 3.29Å; G189-E192 VanDerWaalsContact O-N 3.11Å
193	L	55.2	Low	65.5	Low	49 Å²	49	83.8 Å²	83.8	26%	0.257	47%	0.468	S	S	.	.			trans	-130	32.7	168.6	-81.8	177.9	0	0	0	112.3	R100 A122 D191 R202	R100-L193 PolarHBondContact NH1-O 3.02Å; R100-L193 VanDerWaalsContact NH2-CB 3.35Å; R100-L193 PolarHBondContact NH2-O 3.49Å; A122-L193 HydrophobicContact CB-CD1 4.04Å; D191-L193 PolarHBondContact O-N 2.87Å; L193-R202 HydrophobicContact CD2-CB 4.45Å; L193-R202 HydrophobicContact CD2-CG 4.45Å
194	A	52.4	Low	65.7	Low	88 Å²	88	91.3 Å²	91.3	73%	0.727	49%	0.493	S	S	*	.			trans	-82.2	-26.8	-175.6	0	0	0	0	0	115.1
195	R	59.2	Low	66	Low	186 Å²	186	90.6 Å²	90.6	70%	0.702	48%	0.48	S	S	*	.	S	Bend	trans	-114	145.4	-174.8	-63.6	-177.7	179.7	-178.9	0.9	113.3	E197 Q198 V199	R195-E197 PolarHBondContact O-N 2.98Å; R195-Q198 HydrophobicContact CB-CG 4.4Å; R195-Q198 PolarHBondContact O-N 3.37Å; R195-V199 WeakPolarHBondContact O-CG2 3.35Å; R195-V199 PolarHBondContact O-N 3.35Å
196	D	57.4	Low	66.4	Low	132 Å²	132	89.7 Å²	89.7	71%	0.706	48%	0.475	S	S	*	.	H	α-helix	trans	-62.6	-32.9	-175.3	-73.7	-20.2	0	0	0	114.8	V199 S200	D196-V199 WeakPolarHBondContact O-CG2 3.11Å; D196-V199 PolarHBondContact O-N 2.63Å; D196-S200 PolarHBondContact O-N 3.05Å; D196-S200 PolarHBondContact O-OG 3.14Å
197	E	58.8	Low	67.1	Low	166 Å²	166	90.6 Å²	90.6	78%	0.776	48%	0.477	S	S	*	.	H	α-helix	trans	-67.3	-37	176.4	-68.4	-179.7	162.4	0	0	112.7	R195 V199 S200 S201	R195-E197 PolarHBondContact O-N 2.98Å; E197-V199 VanDerWaalsContact C-N 3.32Å; E197-V199 PolarHBondContact O-N 2.99Å; E197-S200 PolarHBondContact O-N 3.15Å; E197-S201 PolarHBondContact O-N 2.71Å; E197-S201 VanDerWaalsContact O-N 3.07Å
198	Q	65.9	Low	68.4	Low	76 Å²	76	84.5 Å²	84.5	36%	0.355	46%	0.461	S	S	.	.	H	α-helix	trans	-68.7	-33.3	179.3	-66.2	173.4	-32.4	0	0	111.5	R195 S200 R202	R195-Q198 HydrophobicContact CB-CG 4.4Å; R195-Q198 PolarHBondContact O-N 3.37Å; Q198-S200 VanDerWaalsContact C-N 3.35Å; Q198-R202 VanDerWaalsContact O-CB 3.26Å; Q198-R202 WeakPolarHBondContact O-CB 3.07Å; Q198-R202 PolarHBondContact O-N 3.3Å
199	V	67.5	Low	70.1	Confident	15 Å²	15	82.7 Å²	82.7	9%	0.091	44%	0.442	C	S	.	.	H	α-helix	trans	-65.4	-41.9	174.9	-156.4	0	0	0	0	111	V98 R195 D196 E197 R202 R203	V98-V199 HydrophobicContact CB-CG1 3.79Å; V98-V199 HydrophobicContact CG1-CG1 3.92Å; V98-V199 HydrophobicContact CG2-CG1 3.78Å; R195-V199 WeakPolarHBondContact O-CG2 3.35Å; R195-V199 PolarHBondContact O-N 3.35Å; D196-V199 WeakPolarHBondContact O-CG2 3.11Å; D196-V199 PolarHBondContact O-N 2.63Å; E197-V199 VanDerWaalsContact C-N 3.32Å; E197-V199 PolarHBondContact O-N 2.99Å; V199-R202 PolarHBondContact O-N 3.1Å; V199-R203 WeakPolarHBondContact O-CB 3.45Å; V199-R203 PolarHBondContact O-N 3.05Å
200	S	70.5	Confident	72.1	Confident	63 Å²	63	81.1 Å²	81.1	44%	0.441	42%	0.424	S	S	.	.	H	α-helix	trans	-67.4	-41	-179.3	-62.4	0	0	0	0	111.2	D196 E197 Q198 R204	D196-S200 PolarHBondContact O-N 3.05Å; D196-S200 PolarHBondContact O-OG 3.14Å; E197-S200 PolarHBondContact O-N 3.15Å; Q198-S200 VanDerWaalsContact C-N 3.35Å; S200-R204 PolarHBondContact O-N 2.84Å
201	S	77.5	Confident	74.3	Confident	61 Å²	61	78.6 Å²	78.6	43%	0.427	39%	0.392	S	S	.	.	H	α-helix	trans	-64.4	-49.6	172	-177.9	0	0	0	0	111.8	E197 R203 R204 Q205	E197-S201 PolarHBondContact O-N 2.71Å; E197-S201 VanDerWaalsContact O-N 3.07Å; S201-R203 VanDerWaalsContact C-N 3.29Å; S201-R203 PolarHBondContact O-N 2.93Å; S201-R204 PolarHBondContact O-N 3.27Å; S201-Q205 WeakPolarHBondContact O-CG 3.31Å; S201-Q205 PolarHBondContact O-N 3.03Å
202	R	81.1	Confident	76.3	Confident	17 Å²	17	73.7 Å²	73.7	6%	0.064	37%	0.368	C	S	.	.	H	α-helix	trans	-58.6	-41	178.6	-172.7	63.7	174.7	163.2	5.1	112.3	F124 E141 P186 L193 Q198 V199 Q205 L206	F124-R202 HydrophobicContact CZ-CG 4.45Å; E141-R202 IonicContact OE1-CZ 3.88Å; E141-R202 VanDerWaalsContact OE1-CZ 3.29Å; E141-R202 IonicContact OE1-NE 3.55Å; E141-R202 PolarHBondContact OE1-NE 3.13Å; E141-R202 IonicContact OE1-NH2 3.7Å; E141-R202 PolarHBondContact OE1-NH2 3.31Å; P186-R202 VanDerWaalsContact CB-NH1 3.31Å; P186-R202 VanDerWaalsContact O-CZ 3.26Å; P186-R202 PolarHBondContact O-NH1 2.93Å; P186-R202 PolarHBondContact O-NH2 2.93Å; L193-R202 HydrophobicContact CD2-CB 4.45Å; L193-R202 HydrophobicContact CD2-CG 4.45Å; Q198-R202 VanDerWaalsContact O-CB 3.26Å; Q198-R202 WeakPolarHBondContact O-CB 3.07Å; Q198-R202 PolarHBondContact O-N 3.3Å; V199-R202 PolarHBondContact O-N 3.1Å; R202-Q205 PolarHBondContact O-N 2.92Å; R202-L206 HydrophobicContact CG-CD1 4.22Å; R202-L206 WeakPolarHBondContact O-CG 3.46Å; R202-L206 PolarHBondContact O-N 2.93Å
203	R	84.5	Confident	78.2	Confident	77 Å²	77	68 Å²	68	29%	0.291	34%	0.342	S	S	.	.	H	α-helix	trans	-57	-53.4	174.8	172.6	178.9	170.8	176.6	-1.2	111.2	I95 L96 V199 S201 Q205 L206 E207	I95-R203 HydrophobicContact CB-CG 3.75Å; I95-R203 HydrophobicContact CD1-CG 4.49Å; I95-R203 WeakPolarHBondContact CD1-O 3.47Å; I95-R203 HydrophobicContact CG2-CG 3.71Å; I95-R203 PolarHBondContact O-NE 2.72Å; I95-R203 PolarHBondContact O-NH2 3.11Å; L96-R203 PolarHBondContact O-NH1 3.02Å; L96-R203 PolarHBondContact O-NH2 3.25Å; V199-R203 WeakPolarHBondContact O-CB 3.45Å; V199-R203 PolarHBondContact O-N 3.05Å; S201-R203 VanDerWaalsContact C-N 3.29Å; S201-R203 PolarHBondContact O-N 2.93Å; R203-Q205 PolarHBondContact O-N 2.73Å; R203-L206 PolarHBondContact O-N 3.35Å; R203-E207 WeakPolarHBondContact O-CB 3.45Å; R203-E207 PolarHBondContact O-N 2.91Å
204	R	85.9	Confident	80	Confident	178 Å²	178	65.7 Å²	65.7	67%	0.672	33%	0.33	S	S	*	.	H	α-helix	trans	-60.4	-45.3	178.8	-70	-174.7	-157.6	172.5	5.8	111.9	S200 S201 L206 E207 D208	S200-R204 PolarHBondContact O-N 2.84Å; S201-R204 PolarHBondContact O-N 3.27Å; R204-L206 PolarHBondContact O-N 3.46Å; R204-E207 WeakPolarHBondContact O-CB 3.4Å; R204-E207 PolarHBondContact O-N 3.29Å; R204-D208 WeakPolarHBondContact O-CB 3.44Å; R204-D208 PolarHBondContact O-N 2.67Å
205	Q	88.1	Confident	81.8	Confident	79 Å²	79	69.5 Å²	69.5	37%	0.369	33%	0.33	S	S	.	.	H	α-helix	trans	-58.3	-44.4	179	-70.3	176.3	-2.9	0	0	113	P186 S201 R202 R203 Y209	P186-Q205 HydrophobicContact CB-CB 3.88Å; P186-Q205 HydrophobicContact CB-CG 4.49Å; P186-Q205 HydrophobicContact CG-CB 3.73Å; S201-Q205 WeakPolarHBondContact O-CG 3.31Å; S201-Q205 PolarHBondContact O-N 3.03Å; R202-Q205 PolarHBondContact O-N 2.92Å; R203-Q205 PolarHBondContact O-N 2.73Å; Q205-Y209 WeakPolarHBondContact O-CB 3.45Å; Q205-Y209 PolarHBondContact O-N 3.28Å
206	L	90.6	Very high	83.2	Confident	0 Å²	0	62 Å²	62	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-71.9	-33.4	178.1	-69.2	178.6	0	0	0	112.4	I95 F124 F144 L185 R202 R203 R204 I210	I95-L206 HydrophobicContact CD1-CB 3.85Å; F124-L206 HydrophobicContact CD1-CD1 4.28Å; F124-L206 HydrophobicContact CD2-CD1 4.46Å; F124-L206 HydrophobicContact CE1-CD1 3.75Å; F124-L206 HydrophobicContact CE2-CD1 3.96Å; F124-L206 HydrophobicContact CZ-CD1 3.57Å; F144-L206 HydrophobicContact CD1-CB 4.43Å; F144-L206 HydrophobicContact CD1-CD2 3.79Å; F144-L206 HydrophobicContact CD1-CG 4.49Å; F144-L206 HydrophobicContact CE1-CB 3.81Å; F144-L206 HydrophobicContact CE1-CD1 4.29Å; F144-L206 HydrophobicContact CE1-CD2 4.03Å; F144-L206 HydrophobicContact CE1-CG 4.26Å; F144-L206 HydrophobicContact CE2-CD1 4.3Å; F144-L206 HydrophobicContact CG-CD2 4.18Å; F144-L206 HydrophobicContact CZ-CB 4.18Å; F144-L206 HydrophobicContact CZ-CD1 4.16Å; L185-L206 HydrophobicContact CD1-CD2 4.19Å; R202-L206 HydrophobicContact CG-CD1 4.22Å; R202-L206 WeakPolarHBondContact O-CG 3.46Å; R202-L206 PolarHBondContact O-N 2.93Å; R203-L206 PolarHBondContact O-N 3.35Å; R204-L206 PolarHBondContact O-N 3.46Å; L206-I210 WeakPolarHBondContact O-CG1 3.22Å; L206-I210 PolarHBondContact O-N 3.32Å; L206-I210 VanDerWaalsContact O-N 3.07Å
207	E	92.8	Very high	84.4	Confident	44 Å²	44	57.2 Å²	57.2	21%	0.206	28%	0.282	C	S	.	.	H	α-helix	trans	-64.2	-49.2	173.4	-175	171.5	117	0	0	111.6	K94 I95 R203 R204 Y209 I210 N211	K94-E207 WeakPolarHBondContact CA-OE2 3.39Å; I95-E207 HydrophobicContact CD1-CB 4.17Å; I95-E207 HydrophobicContact CG1-CB 4.06Å; I95-E207 PolarHBondContact N-OE2 2.91Å; R203-E207 WeakPolarHBondContact O-CB 3.45Å; R203-E207 PolarHBondContact O-N 2.91Å; R204-E207 WeakPolarHBondContact O-CB 3.4Å; R204-E207 PolarHBondContact O-N 3.29Å; E207-Y209 VanDerWaalsContact C-N 3.31Å; E207-Y209 PolarHBondContact O-N 3.37Å; E207-I210 PolarHBondContact O-N 3.41Å; E207-N211 WeakPolarHBondContact O-CB 3.41Å; E207-N211 PolarHBondContact O-N 3.26Å; E207-N211 PolarHBondContact O-ND2 3.19Å
208	D	91.9	Very high	85.6	Confident	98 Å²	98	50.3 Å²	50.3	52%	0.524	25%	0.25	S	C	.	.	H	α-helix	trans	-61.1	-41.4	176.6	-70.9	-24.2	0	0	0	111.3	R204 N211 T212	R204-D208 WeakPolarHBondContact O-CB 3.44Å; R204-D208 PolarHBondContact O-N 2.67Å; D208-N211 PolarHBondContact O-N 3.02Å; D208-T212 VanDerWaalsContact O-CB 3.31Å; D208-T212 WeakPolarHBondContact O-CB 3.36Å; D208-T212 PolarHBondContact O-N 2.89Å; D208-T212 PolarHBondContact O-OG1 2.88Å
209	Y	92.8	Very high	86.6	Confident	5 Å²	5	46.7 Å²	46.7	2%	0.02	23%	0.233	C	C	.	.	H	α-helix	trans	-57.9	-50.7	175.1	171.9	-99.5	0	0	0	111.9	F144 H148 P183 L185 Q205 E207 T212 L213	F144-Y209 HydrophobicContact CD1-CD1 4.34Å; H148-Y209 WeakPolarHBondContact CB-OH 3.47Å; H148-Y209 AromaticContact ND1-CE2 3.7Å; H148-Y209 AromaticContact ND1-CZ 3.65Å; H148-Y209 PolarHBondContact ND1-OH 3.44Å; P183-Y209 HydrophobicContact CB-CD2 4.05Å; P183-Y209 HydrophobicContact CB-CE2 4.34Å; P183-Y209 HydrophobicContact CG-CD2 4.11Å; P183-Y209 HydrophobicContact CG-CE2 4.09Å; L185-Y209 HydrophobicContact CB-CE2 4.15Å; L185-Y209 HydrophobicContact CD1-CD1 3.89Å; L185-Y209 HydrophobicContact CD1-CD2 4.34Å; L185-Y209 HydrophobicContact CD1-CE1 3.67Å; L185-Y209 HydrophobicContact CD1-CE2 4.14Å; L185-Y209 HydrophobicContact CD1-CG 4.22Å; Q205-Y209 WeakPolarHBondContact O-CB 3.45Å; Q205-Y209 PolarHBondContact O-N 3.28Å; E207-Y209 VanDerWaalsContact C-N 3.31Å; E207-Y209 PolarHBondContact O-N 3.37Å; Y209-T212 PolarHBondContact O-N 2.74Å; Y209-L213 HydrophobicContact CD1-CD1 4.11Å; Y209-L213 HydrophobicContact CE1-CD1 3.45Å; Y209-L213 VanDerWaalsContact CE1-CD1 3.45Å; Y209-L213 HydrophobicContact CE1-CG 4.43Å; Y209-L213 HydrophobicContact CE2-CD1 4.11Å; Y209-L213 HydrophobicContact CE2-CG 4.4Å; Y209-L213 VanDerWaalsContact CZ-CD1 3.45Å; Y209-L213 WeakPolarHBondContact O-CG 3.21Å; Y209-L213 PolarHBondContact O-N 3.12Å; Y209-L213 VanDerWaalsContact O-N 3.08Å
210	I	93.3	Very high	87.7	Confident	4 Å²	4	48 Å²	48	2%	0.021	24%	0.236	C	C	.	.	H	α-helix	trans	-63.8	-48.4	178.6	-67.8	165.7	0	0	0	110.7	A93 I126 F144 L206 E207 T212 L213 L214 F228	A93-I210 HydrophobicContact CB-CB 4.27Å; A93-I210 HydrophobicContact CB-CG2 3.57Å; I126-I210 HydrophobicContact CD1-CD1 3.75Å; F144-I210 HydrophobicContact CD1-CD1 4.3Å; F144-I210 HydrophobicContact CD1-CG1 4.38Å; F144-I210 HydrophobicContact CE1-CD1 3.29Å; F144-I210 HydrophobicContact CE1-CG1 3.76Å; F144-I210 HydrophobicContact CZ-CD1 3.76Å; L206-I210 WeakPolarHBondContact O-CG1 3.22Å; L206-I210 PolarHBondContact O-N 3.32Å; L206-I210 VanDerWaalsContact O-N 3.07Å; E207-I210 PolarHBondContact O-N 3.41Å; I210-T212 VanDerWaalsContact C-N 3.25Å; I210-T212 PolarHBondContact O-N 3.17Å; I210-L213 WeakPolarHBondContact O-CB 3.42Å; I210-L213 PolarHBondContact O-N 3.29Å; I210-L213 VanDerWaalsContact O-N 3.14Å; I210-L214 HydrophobicContact CG2-CD1 3.59Å; I210-L214 HydrophobicContact CG2-CG 3.97Å; I210-L214 WeakPolarHBondContact O-CB 3.24Å; I210-L214 VanDerWaalsContact O-CG 3.29Å; I210-L214 WeakPolarHBondContact O-CG 3.17Å; I210-L214 PolarHBondContact O-N 3.39Å; I210-F228 HydrophobicContact CD1-CE1 3.83Å; I210-F228 HydrophobicContact CD1-CZ 4.21Å; I210-F228 HydrophobicContact CG1-CE1 4.14Å
211	N	94.2	Very high	88.5	Confident	26 Å²	26	49.7 Å²	49.7	14%	0.139	24%	0.236	C	C	.	.	H	α-helix	trans	-61.8	-35.4	-178.5	-79.4	-61.9	0	0	0	112.2	T92 A93 E207 D208 L214 K215	T92-N211 WeakPolarHBondContact CA-OD1 3.37Å; A93-N211 PolarHBondContact N-OD1 3.06Å; A93-N211 PolarHBondContact O-ND2 3.47Å; A93-N211 PolarHBondContact O-OD1 3.24Å; E207-N211 WeakPolarHBondContact O-CB 3.41Å; E207-N211 PolarHBondContact O-N 3.26Å; E207-N211 PolarHBondContact O-ND2 3.19Å; D208-N211 PolarHBondContact O-N 3.02Å; N211-L214 PolarHBondContact O-N 3.46Å; N211-K215 WeakPolarHBondContact O-CG 3.31Å; N211-K215 PolarHBondContact O-N 2.82Å; N211-K215 VanDerWaalsContact O-N 3.17Å
212	T	92.1	Very high	89.1	Confident	61 Å²	61	47.2 Å²	47.2	37%	0.374	22%	0.217	S	C	.	.	H	α-helix	trans	-65.3	-46.3	174.2	-55.6	0	0	0	0	111	P183 D208 Y209 I210 L214 K215 M216	P183-T212 HydrophobicContact CB-CG2 3.93Å; P183-T212 HydrophobicContact CG-CG2 3.95Å; D208-T212 VanDerWaalsContact O-CB 3.31Å; D208-T212 WeakPolarHBondContact O-CB 3.36Å; D208-T212 PolarHBondContact O-N 2.89Å; D208-T212 PolarHBondContact O-OG1 2.88Å; Y209-T212 PolarHBondContact O-N 2.74Å; I210-T212 VanDerWaalsContact C-N 3.25Å; I210-T212 PolarHBondContact O-N 3.17Å; T212-L214 VanDerWaalsContact C-N 3.32Å; T212-L214 PolarHBondContact O-N 3.31Å; T212-K215 PolarHBondContact O-N 2.96Å; T212-M216 WeakPolarHBondContact O-CG 3.34Å
213	L	91.4	Very high	89.5	Confident	3 Å²	3	47.7 Å²	47.7	2%	0.016	22%	0.22	C	C	.	.	H	α-helix	trans	-58.9	-42.2	175.1	-74.2	177.7	0	0	0	112.8	L147 L151 P183 Y209 I210 K215 M216 Y219	L147-L213 HydrophobicContact CD2-CD1 4.26Å; L151-L213 HydrophobicContact CD1-CD1 3.68Å; L151-L213 HydrophobicContact CD1-CD2 3.83Å; L151-L213 HydrophobicContact CD1-CG 4.42Å; P183-L213 HydrophobicContact CG-CD2 3.52Å; P183-L213 HydrophobicContact CG-CG 3.76Å; Y209-L213 HydrophobicContact CD1-CD1 4.11Å; Y209-L213 HydrophobicContact CE1-CD1 3.45Å; Y209-L213 VanDerWaalsContact CE1-CD1 3.45Å; Y209-L213 HydrophobicContact CE1-CG 4.43Å; Y209-L213 HydrophobicContact CE2-CD1 4.11Å; Y209-L213 HydrophobicContact CE2-CG 4.4Å; Y209-L213 VanDerWaalsContact CZ-CD1 3.45Å; Y209-L213 WeakPolarHBondContact O-CG 3.21Å; Y209-L213 PolarHBondContact O-N 3.12Å; Y209-L213 VanDerWaalsContact O-N 3.08Å; I210-L213 WeakPolarHBondContact O-CB 3.42Å; I210-L213 PolarHBondContact O-N 3.29Å; I210-L213 VanDerWaalsContact O-N 3.14Å; L213-K215 VanDerWaalsContact C-N 3.31Å; L213-K215 PolarHBondContact O-N 2.79Å; L213-M216 PolarHBondContact O-N 3.1Å; L213-Y219 HydrophobicContact CD2-CD2 4.36Å; L213-Y219 HydrophobicContact CD2-CG 4.36Å
214	L	92.3	Very high	89.8	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-68.4	-27.3	-178.1	-74.6	177.6	0	0	0	113.4	I91 A93 M128 I210 N211 T212 M216 R220 I229	I91-L214 HydrophobicContact CD1-CD2 4.36Å; I91-L214 HydrophobicContact CG1-CD1 4.28Å; I91-L214 HydrophobicContact CG2-CB 4.03Å; I91-L214 HydrophobicContact CG2-CD1 4.42Å; I91-L214 HydrophobicContact CG2-CD2 4.02Å; I91-L214 HydrophobicContact CG2-CG 4.37Å; A93-L214 HydrophobicContact CB-CD1 4.13Å; M128-L214 HydrophobicContact CE-CD1 3.77Å; I210-L214 HydrophobicContact CG2-CD1 3.59Å; I210-L214 HydrophobicContact CG2-CG 3.97Å; I210-L214 WeakPolarHBondContact O-CB 3.24Å; I210-L214 VanDerWaalsContact O-CG 3.29Å; I210-L214 WeakPolarHBondContact O-CG 3.17Å; I210-L214 PolarHBondContact O-N 3.39Å; N211-L214 PolarHBondContact O-N 3.46Å; T212-L214 VanDerWaalsContact C-N 3.32Å; T212-L214 PolarHBondContact O-N 3.31Å; L214-M216 VanDerWaalsContact C-N 3.31Å; L214-R220 HydrophobicContact CD2-CG 4.45Å; L214-R220 VanDerWaalsContact O-CD 3.31Å; L214-R220 WeakPolarHBondContact O-CD 3.33Å; L214-R220 PolarHBondContact O-NH1 3.2Å; L214-I229 HydrophobicContact CD2-CD1 3.98Å
215	K	90.5	Very high	90.2	Very high	167 Å²	167	38 Å²	38	73%	0.726	19%	0.186	S	C	*	.	H	α-helix	trans	-69.8	-29.7	173.1	-73.3	171.4	-177.3	-179.9	0	112.1	N211 T212 L213 A217	N211-K215 WeakPolarHBondContact O-CG 3.31Å; N211-K215 PolarHBondContact O-N 2.82Å; N211-K215 VanDerWaalsContact O-N 3.17Å; T212-K215 PolarHBondContact O-N 2.96Å; L213-K215 VanDerWaalsContact C-N 3.31Å; L213-K215 PolarHBondContact O-N 2.79Å; K215-A217 PolarHBondContact O-N 2.94Å
216	M	88.2	Confident	90.4	Very high	30 Å²	30	35.1 Å²	35.1	15%	0.148	17%	0.172	C	C	.	.	S	Bend	trans	-84.2	107.8	-177.5	-58.4	176.9	84.1	0	0	110.8	E178 E181 T212 L213 L214 M218 Y219 R220	E178-M216 WeakPolarHBondContact O-CE 3.42Å; E181-M216 HydrophobicContact CB-CE 4.17Å; E181-M216 WeakPolarHBondContact O-CE 3.48Å; T212-M216 WeakPolarHBondContact O-CG 3.34Å; L213-M216 PolarHBondContact O-N 3.1Å; L214-M216 VanDerWaalsContact C-N 3.31Å; M216-M218 VanDerWaalsContact C-N 3.28Å; M216-M218 PolarHBondContact O-N 2.95Å; M216-Y219 HydrophobicContact CB-CD2 3.82Å; M216-Y219 HydrophobicContact CE-CD2 3.81Å; M216-Y219 HydrophobicContact CE-CE2 3.51Å; M216-Y219 HydrophobicContact CG-CD2 4.36Å; M216-Y219 PolarHBondContact O-N 3.27Å; M216-Y219 VanDerWaalsContact O-N 3.12Å; M216-Y219 HydrophobicContact SD-CD2 3.62Å; M216-Y219 HydrophobicContact SD-CE2 3.86Å; M216-R220 WeakPolarHBondContact O-CB 3.28Å; M216-R220 PolarHBondContact O-N 2.84Å
217	A	83.4	Confident	90.6	Very high	31 Å²	31	38.5 Å²	38.5	26%	0.256	19%	0.188	S	C	.	.	H	α-helix	trans	-54.6	-41	-173.9	0	0	0	0	0	113.4	K215 Y219 R220 K221	K215-A217 PolarHBondContact O-N 2.94Å; A217-Y219 PolarHBondContact O-N 3.4Å; A217-R220 PolarHBondContact O-N 2.93Å; A217-K221 WeakPolarHBondContact O-CB 3.31Å; A217-K221 WeakPolarHBondContact O-CG 3.35Å; A217-K221 PolarHBondContact O-N 2.93Å
218	M	83.4	Confident	90.7	Very high	21 Å²	21	37.2 Å²	37.2	10%	0.103	18%	0.182	C	C	.	.	H	α-helix	trans	-57	-47.5	177.5	-176	-173.8	-161.9	0	0	112.9	Y154 M158 V179 M216	Y154-M218 HydrophobicContact CE1-CE 3.92Å; Y154-M218 HydrophobicContact CE1-CG 3.99Å; M158-M218 HydrophobicContact CB-CE 4.14Å; M158-M218 HydrophobicContact CE-CE 3.82Å; M158-M218 HydrophobicContact CG-CE 3.6Å; M158-M218 HydrophobicContact SD-CE 4.4Å; V179-M218 HydrophobicContact CG2-CE 4.45Å; V179-M218 HydrophobicContact CG2-SD 4.27Å; M216-M218 VanDerWaalsContact C-N 3.28Å; M216-M218 PolarHBondContact O-N 2.95Å
219	Y	87.9	Confident	90.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-82.3	-33.3	-178.5	-61.6	-55.2	0	0	0	112.2	L151 Y154 M182 L213 M216 A217 Y222 T225	L151-Y219 HydrophobicContact CD2-CD1 3.81Å; L151-Y219 HydrophobicContact CD2-CG 4.39Å; Y154-Y219 HydrophobicContact CD1-CD1 4.37Å; Y154-Y219 HydrophobicContact CD1-CE1 4.39Å; M182-Y219 HydrophobicContact CB-CE2 4.04Å; M182-Y219 HydrophobicContact CG-CE2 4.16Å; L213-Y219 HydrophobicContact CD2-CD2 4.36Å; L213-Y219 HydrophobicContact CD2-CG 4.36Å; M216-Y219 HydrophobicContact CB-CD2 3.82Å; M216-Y219 HydrophobicContact CE-CD2 3.81Å; M216-Y219 HydrophobicContact CE-CE2 3.51Å; M216-Y219 HydrophobicContact CG-CD2 4.36Å; M216-Y219 PolarHBondContact O-N 3.27Å; M216-Y219 VanDerWaalsContact O-N 3.12Å; M216-Y219 HydrophobicContact SD-CD2 3.62Å; M216-Y219 HydrophobicContact SD-CE2 3.86Å; A217-Y219 PolarHBondContact O-N 3.4Å; Y219-Y222 WeakPolarHBondContact O-CB 3Å; Y219-Y222 PolarHBondContact O-N 2.85Å; Y219-T225 WeakPolarHBondContact O-CB 3.25Å; Y219-T225 PolarHBondContact O-OG1 3.01Å
220	R	90	Very high	91	Very high	43 Å²	43	32.9 Å²	32.9	16%	0.162	16%	0.159	C	C	.	.	H	α-helix	trans	-58.9	-46.8	173.5	178	178.1	62.7	-126.1	9.6	111.5	Y85 I91 L214 M216 A217 Y222	Y85-R220 HydrophobicContact CD1-CG 4.48Å; Y85-R220 HydrophobicContact CD2-CG 4.23Å; Y85-R220 HydrophobicContact CE1-CG 3.94Å; Y85-R220 HydrophobicContact CE2-CG 3.67Å; Y85-R220 VanDerWaalsContact CZ-CG 3.5Å; Y85-R220 PolarHBondContact OH-O 2.89Å; Y85-R220 VanDerWaalsContact OH-O 3.06Å; I91-R220 HydrophobicContact CG2-CG 4.49Å; L214-R220 HydrophobicContact CD2-CG 4.45Å; L214-R220 VanDerWaalsContact O-CD 3.31Å; L214-R220 WeakPolarHBondContact O-CD 3.33Å; L214-R220 PolarHBondContact O-NH1 3.2Å; M216-R220 WeakPolarHBondContact O-CB 3.28Å; M216-R220 PolarHBondContact O-N 2.84Å; A217-R220 PolarHBondContact O-N 2.93Å; R220-Y222 PolarHBondContact O-N 3.02Å
221	K	87.5	Confident	91.1	Very high	98 Å²	98	32.8 Å²	32.8	43%	0.426	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-5.3	-177.8	-67.3	178.6	-179.7	179	0	113.6	E53 Y85 A217 M226	E53-K221 IonicContact OE1-NZ 3.28Å; Y85-K221 HydrophobicContact CD2-CG 4.47Å; A217-K221 WeakPolarHBondContact O-CB 3.31Å; A217-K221 WeakPolarHBondContact O-CG 3.35Å; A217-K221 PolarHBondContact O-N 2.93Å; K221-M226 WeakPolarHBondContact O-CE 3.43Å
222	Y	89.1	Confident	91.1	Very high	9 Å²	9	31.7 Å²	31.7	4%	0.035	15%	0.153	C	C	.	.	S	Bend	trans	-73.3	136.1	178.7	-173.7	-119.8	0	0	0	111.8	E150 L151 Y154 Y219 R220 H224 T225 M226	E150-Y222 HydrophobicContact CB-CE1 4.29Å; L151-Y222 HydrophobicContact CD2-CD1 3.69Å; L151-Y222 HydrophobicContact CD2-CE1 4.44Å; L151-Y222 HydrophobicContact CD2-CG 4.38Å; Y154-Y222 AromaticContact CD1-CD2 3.99Å; Y154-Y222 HydrophobicContact CD1-CD2 3.99Å; Y154-Y222 HydrophobicContact CD1-CE2 4.35Å; Y154-Y222 HydrophobicContact CD1-CG 4.15Å; Y154-Y222 AromaticContact CD2-CD2 3.67Å; Y154-Y222 HydrophobicContact CD2-CD2 3.67Å; Y154-Y222 AromaticContact CD2-CE2 3.37Å; Y154-Y222 HydrophobicContact CD2-CE2 3.37Å; Y154-Y222 HydrophobicContact CE1-CD2 4.06Å; Y154-Y222 HydrophobicContact CE1-CG 4.37Å; Y154-Y222 AromaticContact CE2-CD2 3.76Å; Y154-Y222 HydrophobicContact CE2-CD2 3.76Å; Y154-Y222 AromaticContact CE2-CE2 3.82Å; Y154-Y222 HydrophobicContact CE2-CE2 3.82Å; Y154-Y222 AromaticContact CG-CD2 3.79Å; Y154-Y222 HydrophobicContact CG-CD2 3.79Å; Y154-Y222 HydrophobicContact CG-CE1 4.42Å; Y154-Y222 AromaticContact CG-CE2 3.68Å; Y154-Y222 HydrophobicContact CG-CE2 3.68Å; Y154-Y222 HydrophobicContact CG-CG 4.25Å; Y154-Y222 AromaticContact CZ-CD2 3.96Å; Y219-Y222 WeakPolarHBondContact O-CB 3Å; Y219-Y222 PolarHBondContact O-N 2.85Å; R220-Y222 PolarHBondContact O-N 3.02Å; Y222-H224 VanDerWaalsContact C-N 3.34Å; Y222-H224 HydrophobicContact CD1-CB 3.86Å; Y222-H224 HydrophobicContact CE1-CB 3.62Å; Y222-H224 AromaticContact CE1-CG 3.86Å; Y222-H224 AromaticContact CE1-ND1 3.36Å; Y222-H224 WeakPolarHBondContact CE1-ND1 3.46Å; Y222-H224 AromaticContact CZ-ND1 3.52Å; Y222-H224 PolarHBondContact O-N 3.32Å; Y222-H224 PolarHBondContact OH-ND1 2.9Å; Y222-T225 WeakPolarHBondContact O-CA 3.4Å; Y222-T225 VanDerWaalsContact O-CB 3.28Å; Y222-T225 WeakPolarHBondContact O-CB 3.34Å; Y222-T225 PolarHBondContact O-N 2.52Å; Y222-M226 PolarHBondContact O-N 2.91Å; Y222-M226 VanDerWaalsContact O-N 3.11Å
223	H	88.8	Confident	91.2	Very high	26 Å²	26	29.4 Å²	29.4	12%	0.12	14%	0.138	C	C	.	.	H	α-helix	trans	-61.5	-35	-169.8	67.2	-88.1	0	0	0	114.6	E45 F77 T225 M226 E227	E45-H223 IonicContact OE1-CE1 3.88Å; E45-H223 IonicContact OE1-NE2 3.88Å; F77-H223 WeakPolarHBondContact O-CB 3.47Å; H223-T225 VanDerWaalsContact C-N 3.31Å; H223-T225 PolarHBondContact O-N 2.54Å; H223-M226 HydrophobicContact CB-CE 4.03Å; H223-M226 PolarHBondContact O-N 2.84Å; H223-E227 PolarHBondContact O-N 2.91Å
224	H	91.7	Very high	91.4	Very high	50 Å²	50	29.3 Å²	29.3	23%	0.231	14%	0.137	C	C	.	.	H	α-helix	trans	-66.8	-31.1	173.4	-74.6	101.6	0	0	0	112.8	L147 E150 Y222 F228	L147-H224 HydrophobicContact CD1-CB 4.17Å; E150-H224 HydrophobicContact CB-CB 4.14Å; E150-H224 HydrophobicContact CG-CB 4.46Å; E150-H224 IonicContact OE2-CE1 3.47Å; E150-H224 IonicContact OE2-ND1 2.99Å; E150-H224 IonicContact OE2-NE2 3.75Å; Y222-H224 VanDerWaalsContact C-N 3.34Å; Y222-H224 HydrophobicContact CD1-CB 3.86Å; Y222-H224 HydrophobicContact CE1-CB 3.62Å; Y222-H224 AromaticContact CE1-CG 3.86Å; Y222-H224 AromaticContact CE1-ND1 3.36Å; Y222-H224 WeakPolarHBondContact CE1-ND1 3.46Å; Y222-H224 AromaticContact CZ-ND1 3.52Å; Y222-H224 PolarHBondContact O-N 3.32Å; Y222-H224 PolarHBondContact OH-ND1 2.9Å; H224-F228 VanDerWaalsContact O-CB 3.32Å; H224-F228 WeakPolarHBondContact O-CB 3.42Å; H224-F228 PolarHBondContact O-N 3.49Å
225	T	93.6	Very high	91.6	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.018	14%	0.137	C	C	.	.	H	α-helix	trans	-67.9	-42.6	172.6	-53.2	0	0	0	0	110.5	Y219 Y222 H223 F228 I229	Y219-T225 WeakPolarHBondContact O-CB 3.25Å; Y219-T225 PolarHBondContact O-OG1 3.01Å; Y222-T225 WeakPolarHBondContact O-CA 3.4Å; Y222-T225 VanDerWaalsContact O-CB 3.28Å; Y222-T225 WeakPolarHBondContact O-CB 3.34Å; Y222-T225 PolarHBondContact O-N 2.52Å; H223-T225 VanDerWaalsContact C-N 3.31Å; H223-T225 PolarHBondContact O-N 2.54Å; T225-F228 WeakPolarHBondContact O-CB 3.37Å; T225-F228 PolarHBondContact O-N 2.97Å; T225-F228 VanDerWaalsContact O-N 3.12Å; T225-I229 WeakPolarHBondContact O-CG1 3.48Å; T225-I229 PolarHBondContact O-N 3.07Å
226	M	93.3	Very high	91.8	Very high	17 Å²	17	21.3 Å²	21.3	8%	0.084	10%	0.103	C	C	.	.	H	α-helix	trans	-62.2	-42.3	176.3	-63.5	-170	-74.2	0	0	112	V84 Y85 K221 Y222 H223 F228 I229 D230 V231	V84-M226 HydrophobicContact CB-SD 4.09Å; V84-M226 HydrophobicContact CG1-SD 4.08Å; V84-M226 HydrophobicContact CG2-SD 3.69Å; Y85-M226 HydrophobicContact CE2-CG 4.47Å; Y85-M226 HydrophobicContact CE2-SD 4.42Å; K221-M226 WeakPolarHBondContact O-CE 3.43Å; Y222-M226 PolarHBondContact O-N 2.91Å; Y222-M226 VanDerWaalsContact O-N 3.11Å; H223-M226 HydrophobicContact CB-CE 4.03Å; H223-M226 PolarHBondContact O-N 2.84Å; M226-F228 VanDerWaalsContact C-N 3.34Å; M226-I229 PolarHBondContact O-N 3.43Å; M226-D230 PolarHBondContact O-N 3.29Å; M226-V231 HydrophobicContact CB-CG2 3.82Å; M226-V231 HydrophobicContact CG-CG2 4.03Å; M226-V231 PolarHBondContact O-N 2.98Å; M226-V231 VanDerWaalsContact O-N 3.07Å
227	E	93.8	Very high	92.2	Very high	72 Å²	72	19.9 Å²	19.9	34%	0.336	10%	0.096	S	C	.	.	H	α-helix	trans	-64.3	-37.9	171.6	-176.3	168	-166.3	0	0	111.5	R139 H223 I229 D230 M248 W277	R139-E227 PolarHBondContact NH2-O 3.16Å; H223-E227 PolarHBondContact O-N 2.91Å; E227-I229 VanDerWaalsContact C-N 3.3Å; E227-I229 PolarHBondContact O-N 2.83Å; E227-D230 PolarHBondContact O-N 2.91Å; E227-M248 VanDerWaalsContact OE1-CG 3.28Å; E227-M248 WeakPolarHBondContact OE1-CG 3.16Å; E227-W277 HydrophobicContact CB-CZ3 4.31Å; E227-W277 HydrophobicContact CG-CZ3 4.18Å
228	F	95.4	Very high	92.7	Very high	16 Å²	16	19.6 Å²	19.6	7%	0.07	9%	0.089	C	C	.	.	H	α-helix	trans	-65.6	-31.1	177.3	-177.9	-88.6	0	0	0	113.2	V137 R139 H143 F144 L147 I210 H224 T225 M226	V137-F228 WeakPolarHBondContact CG1-O 3.32Å; R139-F228 HydrophobicContact CB-CE2 4.16Å; R139-F228 HydrophobicContact CB-CZ 4.1Å; R139-F228 HydrophobicContact CG-CD2 4.28Å; R139-F228 HydrophobicContact CG-CE1 4.22Å; R139-F228 HydrophobicContact CG-CE2 3.76Å; R139-F228 HydrophobicContact CG-CZ 3.72Å; R139-F228 PolarHBondContact NE-O 2.85Å; R139-F228 VanDerWaalsContact NH2-C 3.33Å; R139-F228 PolarHBondContact NH2-O 2.84Å; H143-F228 HydrophobicContact CB-CD2 4.37Å; H143-F228 HydrophobicContact CB-CE2 4Å; F144-F228 HydrophobicContact CD1-CE2 4.44Å; F144-F228 AromaticContact CD1-CZ 3.85Å; F144-F228 HydrophobicContact CD1-CZ 3.85Å; F144-F228 HydrophobicContact CD2-CE2 4.28Å; F144-F228 HydrophobicContact CD2-CZ 4.11Å; F144-F228 AromaticContact CE1-CZ 3.84Å; F144-F228 HydrophobicContact CE1-CZ 3.84Å; F144-F228 HydrophobicContact CE2-CZ 4.05Å; F144-F228 HydrophobicContact CG-CE2 4.21Å; F144-F228 HydrophobicContact CG-CZ 4.01Å; F144-F228 AromaticContact CZ-CZ 3.92Å; F144-F228 HydrophobicContact CZ-CZ 3.92Å; L147-F228 HydrophobicContact CB-CD2 3.98Å; L147-F228 HydrophobicContact CB-CE2 4.47Å; L147-F228 HydrophobicContact CB-CG 4.47Å; L147-F228 HydrophobicContact CD1-CB 4.22Å; L147-F228 HydrophobicContact CD2-CB 3.93Å; L147-F228 HydrophobicContact CD2-CD1 3.85Å; L147-F228 HydrophobicContact CD2-CD2 3.82Å; L147-F228 HydrophobicContact CD2-CE1 4.31Å; L147-F228 HydrophobicContact CD2-CE2 4.27Å; L147-F228 HydrophobicContact CD2-CG 3.59Å; L147-F228 HydrophobicContact CD2-CZ 4.5Å; L147-F228 HydrophobicContact CG-CB 4.5Å; L147-F228 HydrophobicContact CG-CD2 4.43Å; L147-F228 HydrophobicContact CG-CG 4.45Å; I210-F228 HydrophobicContact CD1-CE1 3.83Å; I210-F228 HydrophobicContact CD1-CZ 4.21Å; I210-F228 HydrophobicContact CG1-CE1 4.14Å; H224-F228 VanDerWaalsContact O-CB 3.32Å; H224-F228 WeakPolarHBondContact O-CB 3.42Å; H224-F228 PolarHBondContact O-N 3.49Å; T225-F228 WeakPolarHBondContact O-CB 3.37Å; T225-F228 PolarHBondContact O-N 2.97Å; T225-F228 VanDerWaalsContact O-N 3.12Å; M226-F228 VanDerWaalsContact C-N 3.34Å
229	I	95.4	Very high	93.3	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.01	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	7.5	179.4	69.9	-178.2	0	0	0	113.9	Y85 I91 M128 W135 V137 L214 T225 M226 E227 V231	Y85-I229 HydrophobicContact CE1-CD1 4.34Å; Y85-I229 WeakPolarHBondContact OH-CD1 3.42Å; I91-I229 HydrophobicContact CD1-CD1 3.74Å; M128-I229 HydrophobicContact CE-CB 3.9Å; M128-I229 HydrophobicContact CE-CD1 4.35Å; M128-I229 HydrophobicContact CE-CG2 3.71Å; M128-I229 HydrophobicContact SD-CG2 4.38Å; W135-I229 PolarHBondContact NE1-O 2.82Å; V137-I229 WeakPolarHBondContact CG2-O 3.34Å; L214-I229 HydrophobicContact CD2-CD1 3.98Å; T225-I229 WeakPolarHBondContact O-CG1 3.48Å; T225-I229 PolarHBondContact O-N 3.07Å; M226-I229 PolarHBondContact O-N 3.43Å; E227-I229 VanDerWaalsContact C-N 3.3Å; E227-I229 PolarHBondContact O-N 2.83Å; I229-V231 HydrophobicContact CD1-CG1 4.12Å; I229-V231 HydrophobicContact CD1-CG2 3.81Å; I229-V231 HydrophobicContact CG1-CB 4.29Å; I229-V231 HydrophobicContact CG1-CG1 3.85Å; I229-V231 HydrophobicContact CG1-CG2 3.6Å
230	D	95.3	Very high	93.7	Very high	11 Å²	11	19.5 Å²	19.5	6%	0.059	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	52.8	178.5	-65.4	-32	0	0	0	113.1	V137 R139 M226 E227 K243 E246	V137-D230 HydrophobicContact CG2-CB 4.42Å; R139-D230 IonicContact CZ-OD1 3.97Å; R139-D230 IonicContact CZ-OD2 3.55Å; R139-D230 IonicContact NH1-OD1 3.6Å; R139-D230 IonicContact NH1-OD2 3.9Å; R139-D230 PolarHBondContact NH1-OD2 3.15Å; R139-D230 IonicContact NH2-OD1 2.78Å; R139-D230 PolarHBondContact NH2-OD1 2.85Å; R139-D230 IonicContact NH2-OD2 3.85Å; R139-D230 PolarHBondContact NH2-OD2 3.24Å; M226-D230 PolarHBondContact O-N 3.29Å; E227-D230 PolarHBondContact O-N 2.91Å; D230-K243 WeakPolarHBondContact O-CE 3.43Å; D230-K243 PolarHBondContact O-NZ 3.44Å; D230-E246 VanDerWaalsContact CB-O 3.31Å; D230-E246 WeakPolarHBondContact CB-O 3.33Å; D230-E246 VanDerWaalsContact CG-O 3.25Å
231	V	95.7	Very high	93.9	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.006	8%	0.083	C	C	.	.			trans	-123.9	152.9	177.5	-60.9	0	0	0	0	113.3	V84 W135 M226 I229 S235 F236 W277	V84-V231 HydrophobicContact CG1-CB 4.42Å; V84-V231 HydrophobicContact CG1-CG2 4.08Å; W135-V231 HydrophobicContact CH2-CG1 3.99Å; W135-V231 HydrophobicContact CZ2-CG1 3.34Å; M226-V231 HydrophobicContact CB-CG2 3.82Å; M226-V231 HydrophobicContact CG-CG2 4.03Å; M226-V231 PolarHBondContact O-N 2.98Å; M226-V231 VanDerWaalsContact O-N 3.07Å; I229-V231 HydrophobicContact CD1-CG1 4.12Å; I229-V231 HydrophobicContact CD1-CG2 3.81Å; I229-V231 HydrophobicContact CG1-CB 4.29Å; I229-V231 HydrophobicContact CG1-CG1 3.85Å; I229-V231 HydrophobicContact CG1-CG2 3.6Å; V231-S235 WeakPolarHBondContact CA-OG 3.27Å; V231-F236 HydrophobicContact CB-CE2 4.42Å; V231-F236 HydrophobicContact CB-CZ 4.3Å; V231-F236 HydrophobicContact CG1-CE1 4.49Å; V231-F236 HydrophobicContact CG1-CE2 4.17Å; V231-F236 HydrophobicContact CG1-CZ 3.59Å; V231-W277 WeakPolarHBondContact O-CZ2 3.21Å
232	S	94.8	Very high	94.3	Very high	3 Å²	3	14.7 Å²	14.7	2%	0.021	7%	0.074	C	C	.	.			trans	-145.3	177.4	176.6	72.4	0	0	0	0	111.7	L234 S235 E246	S232-L234 PolarHBondContact O-N 2.9Å; S232-L234 PolarHBondContact OG-N 3.19Å; S232-S235 PolarHBondContact N-OG 2.97Å; S232-S235 WeakPolarHBondContact O-CB 3.22Å; S232-S235 PolarHBondContact O-N 2.73Å; S232-S235 PolarHBondContact O-OG 2.72Å; S232-E246 WeakPolarHBondContact CB-OE2 3.33Å; S232-E246 PolarHBondContact OG-OE2 2.94Å
233	Q	94.4	Very high	94.5	Very high	14 Å²	14	14.6 Å²	14.6	7%	0.065	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-11.6	176.5	-65	168.1	76.5	0	0	113.9	V75 A82 V84	V75-Q233 PolarHBondContact O-NE2 2.7Å; A82-Q233 HydrophobicContact CB-CG 4.18Å; V84-Q233 HydrophobicContact CG2-CG 3.72Å
234	L	95.9	Very high	94.8	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-2.1	178.7	-55.5	-175.5	0	0	0	113.3	V71 T74 S232 F236 I237 L240 K281 L286 M288 I295	V71-L234 HydrophobicContact CB-CD2 4.48Å; V71-L234 HydrophobicContact CG1-CD2 4.14Å; T74-L234 HydrophobicContact CG2-CD2 4.15Å; S232-L234 PolarHBondContact O-N 2.9Å; S232-L234 PolarHBondContact OG-N 3.19Å; L234-F236 PolarHBondContact O-N 3.46Å; L234-I237 HydrophobicContact CD2-CD1 3.86Å; L234-L240 HydrophobicContact CB-CD1 4.11Å; L234-L240 HydrophobicContact CD2-CD1 4.43Å; L234-K281 WeakPolarHBondContact O-CE 3.4Å; L234-K281 PolarHBondContact O-NZ 3.29Å; L234-L286 HydrophobicContact CD1-CD1 4.04Å; L234-L286 HydrophobicContact CD1-CD2 3.72Å; L234-L286 HydrophobicContact CD1-CG 4.49Å; L234-M288 HydrophobicContact CD1-CE 4.06Å; L234-M288 HydrophobicContact CD1-SD 3.62Å; L234-M288 HydrophobicContact CG-CE 4.16Å; L234-M288 HydrophobicContact CG-SD 4.06Å; L234-I295 HydrophobicContact CD1-CD1 4.29Å; L234-I295 HydrophobicContact CD1-CG1 4.45Å
235	S	95.6	Very high	94.9	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-41	-171.5	-71	0	0	0	0	112.9	V231 S232 K243 E246 K281	V231-S235 WeakPolarHBondContact CA-OG 3.27Å; S232-S235 PolarHBondContact N-OG 2.97Å; S232-S235 WeakPolarHBondContact O-CB 3.22Å; S232-S235 PolarHBondContact O-N 2.73Å; S232-S235 PolarHBondContact O-OG 2.72Å; S235-K243 WeakPolarHBondContact OG-CE 3.46Å; S235-E246 WeakPolarHBondContact CA-OE1 3.23Å; S235-E246 WeakPolarHBondContact CB-OE1 3.43Å; S235-E246 PolarHBondContact OG-OE1 3.29Å; S235-E246 PolarHBondContact OG-OE2 3.11Å; S235-K281 PolarHBondContact O-NZ 2.71Å
236	F	95.4	Very high	95	Very high	1 Å²	1	11.8 Å²	11.8	0%	0.004	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.7	29.6	-168.5	-47.8	-54.7	0	0	0	113.6	I66 V84 Y85 L86 H130 F133 W135 V231 L234 K243	I66-F236 HydrophobicContact CD1-CB 4.31Å; V84-F236 HydrophobicContact CG1-CE2 4.48Å; V84-F236 VanDerWaalsContact O-CD2 3.23Å; V84-F236 WeakPolarHBondContact O-CD2 3.33Å; Y85-F236 HydrophobicContact CD1-CE2 4.04Å; Y85-F236 HydrophobicContact CE1-CE2 4.34Å; L86-F236 HydrophobicContact CD2-CB 4.02Å; L86-F236 HydrophobicContact CG-CB 4.1Å; H130-F236 HydrophobicContact CB-CE1 4.19Å; H130-F236 HydrophobicContact CB-CZ 4.28Å; H130-F236 AromaticContact CD2-CD2 3.52Å; H130-F236 AromaticContact CD2-CE1 3.99Å; H130-F236 AromaticContact CD2-CE2 3.54Å; H130-F236 AromaticContact CD2-CG 3.78Å; H130-F236 AromaticContact CD2-CZ 3.77Å; F133-F236 HydrophobicContact CB-CD1 3.84Å; F133-F236 HydrophobicContact CB-CE1 4.1Å; F133-F236 HydrophobicContact CD1-CD1 4.41Å; F133-F236 HydrophobicContact CD2-CB 3.9Å; F133-F236 AromaticContact CD2-CD1 3.57Å; F133-F236 HydrophobicContact CD2-CD1 3.57Å; F133-F236 HydrophobicContact CD2-CG 4.15Å; F133-F236 HydrophobicContact CE2-CB 3.71Å; F133-F236 HydrophobicContact CE2-CD1 4.25Å; F133-F236 HydrophobicContact CE2-CG 4.46Å; F133-F236 AromaticContact CG-CD1 3.68Å; F133-F236 HydrophobicContact CG-CD1 3.68Å; F133-F236 HydrophobicContact CG-CE1 4.43Å; F133-F236 HydrophobicContact CZ-CB 4.31Å; W135-F236 HydrophobicContact CE3-CE1 4.25Å; W135-F236 AromaticContact CH2-CE1 3.65Å; W135-F236 HydrophobicContact CH2-CE1 3.65Å; W135-F236 AromaticContact CH2-CZ 3.51Å; W135-F236 HydrophobicContact CH2-CZ 3.51Å; W135-F236 HydrophobicContact CZ2-CE1 4.47Å; W135-F236 HydrophobicContact CZ2-CZ 4.18Å; W135-F236 AromaticContact CZ3-CE1 3.52Å; W135-F236 HydrophobicContact CZ3-CE1 3.52Å; W135-F236 AromaticContact CZ3-CZ 3.91Å; W135-F236 HydrophobicContact CZ3-CZ 3.91Å; V231-F236 HydrophobicContact CB-CE2 4.42Å; V231-F236 HydrophobicContact CB-CZ 4.3Å; V231-F236 HydrophobicContact CG1-CE1 4.49Å; V231-F236 HydrophobicContact CG1-CE2 4.17Å; V231-F236 HydrophobicContact CG1-CZ 3.59Å; L234-F236 PolarHBondContact O-N 3.46Å; F236-K243 HydrophobicContact CD1-CD 4.34Å; F236-K243 HydrophobicContact CE1-CD 3.78Å
237	I	95.2	Very high	95	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.059	C	C	.	.			trans	-86.1	110.7	170.5	-56.8	179.4	0	0	0	107.9	I66 F68 A70 V71 L234 D239 L240	I66-I237 HydrophobicContact CB-CG1 4.34Å; I66-I237 HydrophobicContact CG2-CD1 4.46Å; I66-I237 HydrophobicContact CG2-CG1 3.86Å; F68-I237 HydrophobicContact CD2-CG2 4.45Å; A70-I237 HydrophobicContact CB-CD1 4.23Å; V71-I237 HydrophobicContact CG1-CD1 3.72Å; L234-I237 HydrophobicContact CD2-CD1 3.86Å; I237-D239 VanDerWaalsContact C-N 3.28Å; I237-D239 PolarHBondContact O-N 3.45Å; I237-L240 HydrophobicContact CB-CB 4.31Å; I237-L240 HydrophobicContact CB-CD1 3.99Å; I237-L240 HydrophobicContact CB-CG 3.93Å; I237-L240 HydrophobicContact CD1-CD1 3.93Å; I237-L240 HydrophobicContact CG1-CD1 4.4Å; I237-L240 HydrophobicContact CG2-CD1 4.38Å; I237-L240 HydrophobicContact CG2-CG 3.92Å; I237-L240 WeakPolarHBondContact O-CB 3.39Å; I237-L240 PolarHBondContact O-N 2.84Å
238	H	94.4	Very high	95.1	Very high	25 Å²	25	9.4 Å²	9.4	12%	0.116	5%	0.051	C	C	.	.	G	3₁₀ helix	trans	-51.5	-45.6	-177.7	173.3	-103.2	0	0	0	112.5	E132 L240 G241 E716	E132-H238 IonicContact OE1-CD2 2.72Å; E132-H238 PolarHBondContact OE1-CD2 3.13Å; E132-H238 IonicContact OE1-CG 2.76Å; E132-H238 IonicContact OE2-CD2 3.16Å; E132-H238 PolarHBondContact OE2-CD2 2.92Å; E132-H238 IonicContact OE2-NE2 2.74Å; H238-L240 PolarHBondContact O-N 3.24Å; H238-G241 WeakPolarHBondContact O-CA 3.33Å; H238-G241 PolarHBondContact O-N 2.74Å; H238-E716 VanDerWaalsContact CE1-CD 3.48Å; H238-E716 IonicContact CE1-OE1 2.57Å; H238-E716 PolarHBondContact CE1-OE1 3.07Å; H238-E716 IonicContact CE1-OE2 3.81Å; H238-E716 PolarHBondContact CE1-OE2 3.44Å; H238-E716 VanDerWaalsContact CE1-OE2 3.32Å; H238-E716 IonicContact ND1-OE2 3.5Å; H238-E716 IonicContact NE2-OE1 2.94Å
239	D	95.8	Very high	95	Very high	18 Å²	18	8.9 Å²	8.9	10%	0.096	5%	0.049	C	C	.	.	G	3₁₀ helix	trans	-69.4	-12.3	-178.7	-85.2	-16.4	0	0	0	114.4	F68 I237 G241 K709 S710 S713	F68-D239 HydrophobicContact CB-CB 4.13Å; F68-D239 HydrophobicContact CD2-CB 3.65Å; F68-D239 HydrophobicContact CG-CB 4.3Å; I237-D239 VanDerWaalsContact C-N 3.28Å; I237-D239 PolarHBondContact O-N 3.45Å; D239-G241 VanDerWaalsContact C-N 3.25Å; D239-K709 HydrophobicContact CB-CD 4.01Å; D239-K709 HydrophobicContact CB-CG 4.12Å; D239-K709 CarbonylContact O-C 3.47Å; D239-K709 VanDerWaalsContact O-CA 3.22Å; D239-K709 WeakPolarHBondContact O-CA 3.43Å; D239-K709 WeakPolarHBondContact OD2-CE 3.46Å; D239-K709 IonicContact OD2-NZ 2.75Å; D239-K709 PolarHBondContact OD2-NZ 2.97Å; D239-S710 PolarHBondContact O-N 3.13Å; D239-S713 WeakPolarHBondContact OD1-CB 3.39Å; D239-S713 PolarHBondContact OD1-OG 2.93Å
240	L	96.4	Very high	94.9	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-85	-0.3	169	-63.8	-175.1	0	0	0	112.8	F68 V71 L234 I237 H238 K281 F284 L707	F68-L240 HydrophobicContact CD2-CD2 4.21Å; F68-L240 HydrophobicContact CE2-CD2 3.56Å; F68-L240 HydrophobicContact CE2-CG 4.43Å; F68-L240 HydrophobicContact CZ-CD2 4.48Å; V71-L240 HydrophobicContact CG1-CD1 4.17Å; V71-L240 HydrophobicContact CG1-CD2 4.47Å; L234-L240 HydrophobicContact CB-CD1 4.11Å; L234-L240 HydrophobicContact CD2-CD1 4.43Å; I237-L240 HydrophobicContact CB-CB 4.31Å; I237-L240 HydrophobicContact CB-CD1 3.99Å; I237-L240 HydrophobicContact CB-CG 3.93Å; I237-L240 HydrophobicContact CD1-CD1 3.93Å; I237-L240 HydrophobicContact CG1-CD1 4.4Å; I237-L240 HydrophobicContact CG2-CD1 4.38Å; I237-L240 HydrophobicContact CG2-CG 3.92Å; I237-L240 WeakPolarHBondContact O-CB 3.39Å; I237-L240 PolarHBondContact O-N 2.84Å; H238-L240 PolarHBondContact O-N 3.24Å; L240-K281 HydrophobicContact CB-CD 4.24Å; L240-K281 WeakPolarHBondContact O-CD 3.18Å; L240-F284 HydrophobicContact CD2-CE1 4.38Å; L240-F284 HydrophobicContact CD2-CZ 4.04Å; L240-L707 HydrophobicContact CD1-CD1 4.33Å; L240-L707 HydrophobicContact CD2-CB 4.17Å; L240-L707 HydrophobicContact CD2-CD1 4.08Å
241	G	94.7	Very high	94.8	Very high	4 Å²	4	14.2 Å²	14.2	4%	0.041	7%	0.069	C	C	.	.			trans	74.9	-160.5	177.5	0	0	0	0	0	113.7	H238 D239 S710	H238-G241 WeakPolarHBondContact O-CA 3.33Å; H238-G241 PolarHBondContact O-N 2.74Å; D239-G241 VanDerWaalsContact C-N 3.25Å; G241-S710 WeakPolarHBondContact CA-OG 3.27Å
242	P	95	Very high	94.5	Very high	36 Å²	36	15.3 Å²	15.3	23%	0.234	7%	0.074	C	C	.	.	S	Bend	trans	-59.2	146.1	-173.4	23.2	-32.4	0	0	0	111.9	G244 D282 F349 H353	P242-G244 PolarHBondContact O-N 3.49Å; P242-D282 HydrophobicContact CG-CB 4.16Å; P242-F349 HydrophobicContact CB-CE2 4.3Å; P242-F349 HydrophobicContact CB-CZ 4.01Å; P242-F349 HydrophobicContact CG-CZ 3.89Å; P242-H353 HydrophobicContact CG-CB 4.13Å
243	K	94.3	Very high	94	Very high	8 Å²	8	16.9 Å²	16.9	4%	0.035	9%	0.085	C	C	.	.			trans	-78.6	108.2	176.7	-173.2	-168.6	175.4	-57.8	0	110	F133 W135 D230 S235 F236	F133-K243 HydrophobicContact CB-CB 4.43Å; F133-K243 HydrophobicContact CD1-CB 3.99Å; W135-K243 HydrophobicContact CB-CD 4.21Å; W135-K243 HydrophobicContact CD2-CD 3.51Å; W135-K243 HydrophobicContact CE3-CD 3.6Å; W135-K243 HydrophobicContact CG-CD 3.81Å; W135-K243 HydrophobicContact CZ3-CD 4.19Å; D230-K243 WeakPolarHBondContact O-CE 3.43Å; D230-K243 PolarHBondContact O-NZ 3.44Å; S235-K243 WeakPolarHBondContact OG-CE 3.46Å; F236-K243 HydrophobicContact CD1-CD 4.34Å; F236-K243 HydrophobicContact CE1-CD 3.78Å
244	G	94.1	Very high	93.3	Very high	3 Å²	3	18 Å²	18	3%	0.031	10%	0.1	C	C	.	.			trans	-81	-167.9	171.2	0	0	0	0	0	113.5	P242 V280 F349	P242-G244 PolarHBondContact O-N 3.49Å; G244-V280 VanDerWaalsContact CA-O 3.23Å; G244-V280 WeakPolarHBondContact CA-O 3.02Å; G244-V280 PolarHBondContact N-O 2.74Å; G244-F349 VanDerWaalsContact CA-CZ 3.47Å
245	L	94.3	Very high	92.2	Very high	16 Å²	16	19.9 Å²	19.9	8%	0.084	12%	0.119	C	C	.	.			trans	-65.6	136.7	173.9	-174.7	62.2	0	0	0	110.1	V280 W341 W342	L245-V280 HydrophobicContact CB-CG2 4.41Å; L245-V280 VanDerWaalsContact O-CB 3.3Å; L245-V280 WeakPolarHBondContact O-CB 3.42Å; L245-V280 VanDerWaalsContact O-CG2 3.22Å; L245-V280 WeakPolarHBondContact O-CG2 3.44Å; L245-V280 PolarHBondContact O-N 2.81Å; L245-W341 HydrophobicContact CD1-CH2 4.34Å; L245-W341 HydrophobicContact CD1-CZ2 3.86Å; L245-W342 HydrophobicContact CB-CZ3 4.33Å; L245-W342 HydrophobicContact CD2-CD2 3.73Å; L245-W342 HydrophobicContact CD2-CE3 3.25Å; L245-W342 HydrophobicContact CD2-CG 4.42Å; L245-W342 HydrophobicContact CD2-CH2 4.1Å; L245-W342 HydrophobicContact CD2-CZ2 4.49Å; L245-W342 HydrophobicContact CD2-CZ3 3.45Å; L245-W342 VanDerWaalsContact CD2-CZ3 3.45Å; L245-W342 HydrophobicContact CG-CE3 3.92Å; L245-W342 HydrophobicContact CG-CH2 3.9Å; L245-W342 HydrophobicContact CG-CZ3 3.54Å
246	E	95.3	Very high	91	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	159.4	173.8	-52.1	-170.9	-153.5	0	0	109.9	D230 S232 S235 W277 L278 V279	D230-E246 VanDerWaalsContact CB-O 3.31Å; D230-E246 WeakPolarHBondContact CB-O 3.33Å; D230-E246 VanDerWaalsContact CG-O 3.25Å; S232-E246 WeakPolarHBondContact CB-OE2 3.33Å; S232-E246 PolarHBondContact OG-OE2 2.94Å; S235-E246 WeakPolarHBondContact CA-OE1 3.23Å; S235-E246 WeakPolarHBondContact CB-OE1 3.43Å; S235-E246 PolarHBondContact OG-OE1 3.29Å; S235-E246 PolarHBondContact OG-OE2 3.11Å; E246-W277 HydrophobicContact CB-CZ2 3.92Å; E246-W277 PolarHBondContact OE2-NE1 3.35Å; E246-W277 VanDerWaalsContact OE2-NE1 3.15Å; E246-L278 CarbonylContact C-O 3.57Å; E246-L278 WeakPolarHBondContact CA-O 3.35Å; E246-V279 HydrophobicContact CG-CB 4.28Å; E246-V279 HydrophobicContact CG-CG1 3.97Å; E246-V279 HydrophobicContact CG-CG2 4.24Å
247	G	94.8	Very high	89.4	Confident	2 Å²	2	26.9 Å²	26.9	2%	0.021	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	155.7	175.2	174.9	0	0	0	0	0	115.2	L278	G247-L278 PolarHBondContact N-O 2.6Å; G247-L278 PolarHBondContact O-N 2.91Å
248	M	94.5	Very high	87.7	Confident	38 Å²	38	28.7 Å²	28.7	19%	0.187	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	127.5	179.2	-71.1	-51.8	-52.2	0	0	112.4	E227 K275 R276 W277 P290	E227-M248 VanDerWaalsContact OE1-CG 3.28Å; E227-M248 WeakPolarHBondContact OE1-CG 3.16Å; M248-K275 HydrophobicContact CE-CB 4Å; M248-K275 HydrophobicContact CE-CD 3.49Å; M248-K275 VanDerWaalsContact CE-CD 3.49Å; M248-K275 HydrophobicContact CE-CG 3.34Å; M248-R276 VanDerWaalsContact CE-C 3.49Å; M248-R276 WeakPolarHBondContact CE-O 3.31Å; M248-W277 HydrophobicContact CG-CE3 3.81Å; M248-W277 HydrophobicContact CG-CZ3 4.01Å; M248-W277 HydrophobicContact SD-CB 4.13Å; M248-W277 HydrophobicContact SD-CD2 4.36Å; M248-W277 HydrophobicContact SD-CE3 3.45Å; M248-W277 HydrophobicContact SD-CZ3 4.23Å; M248-P290 HydrophobicContact CE-CG 3.48Å; M248-P290 VanDerWaalsContact CE-CG 3.48Å; M248-P290 HydrophobicContact SD-CG 3.85Å
249	I	93.7	Very high	85.5	Confident	4 Å²	4	29.5 Å²	29.5	2%	0.021	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	161	174	63.8	156.6	0	0	0	111.5	K251 K275 R276 L278 F331 W342	I249-K251 HydrophobicContact CD1-CB 4.08Å; I249-K275 WeakPolarHBondContact O-CA 3.49Å; I249-R276 HydrophobicContact CG1-CB 4.13Å; I249-R276 WeakPolarHBondContact CG1-O 3.28Å; I249-R276 PolarHBondContact N-O 2.76Å; I249-R276 PolarHBondContact O-N 2.93Å; I249-L278 HydrophobicContact CD1-CB 3.9Å; I249-L278 HydrophobicContact CD1-CD1 4.18Å; I249-L278 HydrophobicContact CD1-CD2 4.28Å; I249-L278 HydrophobicContact CD1-CG 4.36Å; I249-L278 HydrophobicContact CG1-CB 3.98Å; I249-L278 HydrophobicContact CG2-CB 4.03Å; I249-L278 HydrophobicContact CG2-CD2 4.31Å; I249-F331 HydrophobicContact CB-CB 4.22Å; I249-F331 HydrophobicContact CB-CD2 4.03Å; I249-F331 HydrophobicContact CB-CG 4.27Å; I249-F331 HydrophobicContact CD1-CB 3.75Å; I249-F331 HydrophobicContact CD1-CD1 4.21Å; I249-F331 HydrophobicContact CD1-CD2 4.49Å; I249-F331 HydrophobicContact CD1-CG 3.93Å; I249-F331 HydrophobicContact CG2-CD2 3.84Å; I249-F331 HydrophobicContact CG2-CE2 4.03Å; I249-F331 HydrophobicContact CG2-CG 4.38Å; I249-W342 HydrophobicContact CG2-CH2 4.17Å; I249-W342 HydrophobicContact CG2-CZ2 3.89Å
250	Y	93.4	Very high	83.2	Confident	111 Å²	111	32.4 Å²	32.4	44%	0.435	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	103.1	166	-75.6	-92.3	0	0	0	109.4	W273 K275 F331 K332	Y250-W273 WeakPolarHBondContact O-CZ3 3.34Å; Y250-K275 HydrophobicContact CE1-CB 4.45Å; Y250-K275 HydrophobicContact CE1-CG 4.12Å; Y250-K275 HydrophobicContact CE2-CG 4.44Å; Y250-F331 CarbonylContact O-C 3.56Å; Y250-F331 WeakPolarHBondContact O-CA 3.26Å; Y250-F331 VanDerWaalsContact O-CB 3.3Å; Y250-F331 WeakPolarHBondContact O-CB 3.46Å; Y250-K332 HydrophobicContact CG-CG 4.44Å; Y250-K332 PolarHBondContact O-N 3.06Å
251	K	92.4	Very high	80.8	Confident	14 Å²	14	37.8 Å²	37.8	6%	0.061	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	133.5	-175.7	-179.1	-94.6	178.4	-159.4	0	111.8	I249 W273 S274 R276 Y287 R327 L329	I249-K251 HydrophobicContact CD1-CB 4.08Å; K251-W273 CarbonylContact O-C 3.57Å; K251-W273 WeakPolarHBondContact O-CA 3.29Å; K251-S274 PolarHBondContact N-O 3.35Å; K251-S274 PolarHBondContact O-N 3.01Å; K251-S274 PolarHBondContact O-OG 3.28Å; K251-R276 HydrophobicContact CB-CB 4.42Å; K251-R276 HydrophobicContact CB-CG 3.99Å; K251-Y287 HydrophobicContact CD-CE1 4.49Å; K251-Y287 WeakPolarHBondContact CE-OH 3.34Å; K251-Y287 HydrophobicContact CG-CE1 4.36Å; K251-R327 VanDerWaalsContact NZ-NH2 3.13Å; K251-L329 HydrophobicContact CG-CD1 3.69Å
252	R	90.1	Very high	78.2	Confident	25 Å²	25	44.1 Å²	44.1	9%	0.094	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	138.8	175.8	-168	170.6	74.4	165.3	5	112.1	Y271 R272 W273 E315 V330	R252-Y271 HydrophobicContact CG-CD1 4.16Å; R252-Y271 HydrophobicContact CG-CG 3.98Å; R252-R272 CarbonylContact C-O 3.15Å; R252-W273 HydrophobicContact CB-CD2 4.5Å; R252-W273 HydrophobicContact CB-CE3 4.05Å; R252-W273 HydrophobicContact CB-CH2 3.87Å; R252-W273 HydrophobicContact CB-CZ2 4.31Å; R252-W273 HydrophobicContact CB-CZ3 3.72Å; R252-W273 HydrophobicContact CG-CH2 4.26Å; R252-W273 HydrophobicContact CG-CZ2 4.24Å; R252-E315 IonicContact CZ-OE2 3.51Å; R252-E315 IonicContact NH1-OE2 2.72Å; R252-E315 PolarHBondContact NH1-OE2 2.99Å; R252-E315 IonicContact NH2-OE2 3.43Å; R252-E315 PolarHBondContact NH2-OE2 3.4Å; R252-V330 HydrophobicContact CB-CB 4.16Å; R252-V330 WeakPolarHBondContact CB-O 3.49Å; R252-V330 PolarHBondContact N-O 2.85Å
253	S	84.7	Confident	75.7	Confident	36 Å²	36	46.9 Å²	46.9	25%	0.252	28%	0.277	S	S	.	.	S	Bend	trans	-61.8	159.6	173.1	61.9	0	0	0	0	112.3	R272	S253-R272 WeakPolarHBondContact CB-O 3.46Å; S253-R272 PolarHBondContact N-O 3.3Å; S253-R272 PolarHBondContact OG-N 3.3Å
254	G	79	Confident	73.1	Confident	38 Å²	38	52.7 Å²	52.7	39%	0.392	32%	0.318	S	S	.	.			trans	79.2	-154.5	178.2	0	0	0	0	0	115.1	H256 R327	G254-H256 VanDerWaalsContact C-N 3.34Å; G254-R327 PolarHBondContact O-NH2 3.22Å
255	G	73.6	Confident	70.7	Confident	39 Å²	39	54.3 Å²	54.3	40%	0.402	33%	0.334	S	S	.	.			trans	84.2	-1.2	-179.8	0	0	0	0	0	115.7	R327 T328	G255-R327 WeakPolarHBondContact O-CG 3.41Å; G255-T328 WeakPolarHBondContact CA-O 3.47Å; G255-T328 PolarHBondContact O-N 2.95Å
256	H	69.6	Low	68.3	Low	62 Å²	62	61.8 Å²	61.8	29%	0.287	37%	0.369	S	S	.	.	B	Isolated β-bridge	trans	-73.6	141.3	174.9	-62.4	-85.8	0	0	0	110.5	G254 I258 F297 R327	G254-H256 VanDerWaalsContact C-N 3.34Å; H256-I258 HydrophobicContact CB-CD1 4.08Å; H256-I258 HydrophobicContact CB-CG1 3.79Å; H256-I258 PolarHBondContact O-N 2.92Å; H256-F297 AromaticContact CE1-CD2 3.84Å; H256-F297 AromaticContact CE1-CE2 3.64Å; H256-F297 AromaticContact ND1-CE2 3.91Å; H256-R327 PolarHBondContact CE1-NH1 3.48Å; H256-R327 PolarHBondContact CE1-NH2 2.92Å; H256-R327 VanDerWaalsContact NE2-CZ 3.33Å; H256-R327 PolarHBondContact NE2-NH2 2.95Å
257	R	61.8	Low	66	Low	85 Å²	85	63.6 Å²	63.6	32%	0.321	39%	0.387	S	S	.	.			trans	-82.9	103.8	160.6	-68.4	170.5	178	-88.9	-12.4	107.2	L325 K743	R257-L325 VanDerWaalsContact CD-O 3.32Å; R257-L325 WeakPolarHBondContact CD-O 3.45Å; R257-L325 PolarHBondContact NE-O 3.24Å; R257-K743 VanDerWaalsContact CZ-CB 3.49Å; R257-K743 VanDerWaalsContact NH1-CB 3.27Å
258	I	59.3	Low	64	Low	39 Å²	39	70.7 Å²	70.7	20%	0.2	42%	0.42	C	S	.	.			trans	-112.6	105.2	176.4	-62	-179.6	0	0	0	106.3	H256 G260 M261 M694	H256-I258 HydrophobicContact CB-CD1 4.08Å; H256-I258 HydrophobicContact CB-CG1 3.79Å; H256-I258 PolarHBondContact O-N 2.92Å; I258-G260 PolarHBondContact O-N 3.09Å; I258-M261 HydrophobicContact CD1-CE 4.11Å; I258-M261 HydrophobicContact CG2-CB 3.89Å; I258-M261 HydrophobicContact CG2-CE 4.4Å; I258-M261 PolarHBondContact O-N 3.34Å; I258-M694 HydrophobicContact CB-SD 4.2Å; I258-M694 HydrophobicContact CG1-SD 4.08Å; I258-M694 HydrophobicContact CG2-CE 3.71Å; I258-M694 HydrophobicContact CG2-SD 3.79Å
259	P	47.8	Very low	61.8	Low	41 Å²	41	73.9 Å²	73.9	27%	0.266	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	132.9	176.8	-10.6	4.9	0	0	0	111.4	M261 M694 D737	P259-M261 VanDerWaalsContact C-N 3.31Å; P259-M261 PolarHBondContact O-N 2.92Å; P259-M694 HydrophobicContact CG-CE 4.09Å; P259-D737 WeakPolarHBondContact CG-OD2 3.49Å
260	G	47.6	Very low	60.2	Low	79 Å²	79	77.7 Å²	77.7	81%	0.814	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.2	-2.1	176	0	0	0	0	0	116.7	I258	I258-G260 PolarHBondContact O-N 3.09Å
261	M	46.1	Very low	59.2	Low	113 Å²	113	75 Å²	75	56%	0.557	47%	0.468	S	S	*	.			trans	-128.3	71.6	178.9	-154.2	175.7	76.4	0	0	110.8	I258 P259 C263	I258-M261 HydrophobicContact CD1-CE 4.11Å; I258-M261 HydrophobicContact CG2-CB 3.89Å; I258-M261 HydrophobicContact CG2-CE 4.4Å; I258-M261 PolarHBondContact O-N 3.34Å; P259-M261 VanDerWaalsContact C-N 3.31Å; P259-M261 PolarHBondContact O-N 2.92Å; M261-C263 VanDerWaalsContact C-N 3.34Å
262	N	41.7	Very low	58.8	Low	137 Å²	137	83.9 Å²	83.9	73%	0.733	50%	0.501	S	S	*	.			trans	-87.7	-0.3	173.2	-80.4	-13.4	0	0	0	113.5
263	C	40.9	Very low	58.8	Low	94 Å²	94	86.8 Å²	86.8	64%	0.635	51%	0.512	S	S	*	.	S	Bend	trans	-99.6	126.2	-177.4	37.5	0	0	0	0	110.6	M261	M261-C263 VanDerWaalsContact C-N 3.34Å
264	C	39.9	Very low	59.1	Low	130 Å²	130	86.4 Å²	86.4	88%	0.878	51%	0.51	S	S	*	.	S	Bend	trans	89.2	59.5	-178.5	-49.8	0	0	0	0	116.8
265	G	44.3	Very low	59.8	Low	37 Å²	37	89.2 Å²	89.2	38%	0.381	51%	0.511	S	S	.	.			trans	-169	-3.1	165.7	0	0	0	0	0	117.3	Y271	G265-Y271 VanDerWaalsContact O-CE1 3.24Å; G265-Y271 WeakPolarHBondContact O-CE1 3.38Å; G265-Y271 PolarHBondContact O-OH 2.71Å
266	Q	43.1	Very low	60.9	Low	173 Å²	173	90.1 Å²	90.1	81%	0.808	50%	0.502	S	S	*	.	S	Bend	trans	-91.5	0.2	-175.5	-69.7	-177.3	-20.3	0	0	114.2
267	G	47.3	Very low	62.1	Low	38 Å²	38	87.3 Å²	87.3	39%	0.392	49%	0.489	S	S	.	.	S	Bend	trans	-103.9	136.3	175.1	0	0	0	0	0	112.8	A269 C270	G267-A269 PolarHBondContact O-N 3.04Å; G267-C270 PolarHBondContact O-N 2.99Å
268	Q	52.2	Low	63.8	Low	151 Å²	151	83.3 Å²	83.3	71%	0.706	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-52.6	-26.7	174.4	-82.6	-178.1	-17.6	0	0	113.7	C270 Y271	Q268-C270 PolarHBondContact O-N 3.4Å; Q268-Y271 HydrophobicContact CB-CE2 4.44Å; Q268-Y271 HydrophobicContact CG-CE2 4.16Å
269	A	50	Low	65.7	Low	105 Å²	105	81.4 Å²	81.4	87%	0.868	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-67.7	-12.9	-178.7	0	0	0	0	0	115.2	G267	G267-A269 PolarHBondContact O-N 3.04Å
270	C	58.2	Low	68	Low	85 Å²	85	79.5 Å²	79.5	57%	0.574	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-110.8	4.5	-174.6	-65.2	0	0	0	0	114.5	G267 Q268	G267-C270 PolarHBondContact O-N 2.99Å; Q268-C270 PolarHBondContact O-N 3.4Å
271	Y	73.3	Confident	70.3	Confident	53 Å²	53	75.7 Å²	75.7	21%	0.208	41%	0.413	C	S	.	.			trans	-80.1	127	-178.2	-61.3	-37.6	0	0	0	112.6	R252 G265 Q268	R252-Y271 HydrophobicContact CG-CD1 4.16Å; R252-Y271 HydrophobicContact CG-CG 3.98Å; G265-Y271 VanDerWaalsContact O-CE1 3.24Å; G265-Y271 WeakPolarHBondContact O-CE1 3.38Å; G265-Y271 PolarHBondContact O-OH 2.71Å; Q268-Y271 HydrophobicContact CB-CE2 4.44Å; Q268-Y271 HydrophobicContact CG-CE2 4.16Å
272	R	84.6	Confident	72.7	Confident	202 Å²	202	70.6 Å²	70.6	76%	0.762	39%	0.388	S	S	*	.			trans	-106.7	130.2	171	-63.7	-176.2	-179.5	-176.6	-0.4	109.4	R252 S253	R252-R272 CarbonylContact C-O 3.15Å; S253-R272 WeakPolarHBondContact CB-O 3.46Å; S253-R272 PolarHBondContact N-O 3.3Å; S253-R272 PolarHBondContact OG-N 3.3Å
273	W	88.9	Confident	75.2	Confident	85 Å²	85	64.1 Å²	64.1	32%	0.322	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	140.4	173.6	-65.3	93.4	0	0	0	110	Y250 K251 R252 T316 V330 K332	Y250-W273 WeakPolarHBondContact O-CZ3 3.34Å; K251-W273 CarbonylContact O-C 3.57Å; K251-W273 WeakPolarHBondContact O-CA 3.29Å; R252-W273 HydrophobicContact CB-CD2 4.5Å; R252-W273 HydrophobicContact CB-CE3 4.05Å; R252-W273 HydrophobicContact CB-CH2 3.87Å; R252-W273 HydrophobicContact CB-CZ2 4.31Å; R252-W273 HydrophobicContact CB-CZ3 3.72Å; R252-W273 HydrophobicContact CG-CH2 4.26Å; R252-W273 HydrophobicContact CG-CZ2 4.24Å; W273-T316 HydrophobicContact CH2-CG2 4.09Å; W273-V330 HydrophobicContact CH2-CG1 4.44Å; W273-K332 HydrophobicContact CD2-CD 4.07Å; W273-K332 HydrophobicContact CD2-CG 4.44Å; W273-K332 HydrophobicContact CE3-CB 4.43Å; W273-K332 HydrophobicContact CE3-CD 3.98Å; W273-K332 HydrophobicContact CE3-CG 3.85Å; W273-K332 HydrophobicContact CH2-CB 3.93Å; W273-K332 HydrophobicContact CH2-CD 4.36Å; W273-K332 HydrophobicContact CH2-CG 4.21Å; W273-K332 HydrophobicContact CZ2-CD 4.45Å; W273-K332 HydrophobicContact CZ3-CB 3.79Å; W273-K332 HydrophobicContact CZ3-CD 4.13Å; W273-K332 HydrophobicContact CZ3-CG 3.71Å
274	S	91.8	Very high	77.9	Confident	28 Å²	28	59.7 Å²	59.7	20%	0.196	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	132.2	-177.5	61.5	0	0	0	0	111.1	K251 R276	K251-S274 PolarHBondContact N-O 3.35Å; K251-S274 PolarHBondContact O-N 3.01Å; K251-S274 PolarHBondContact O-OG 3.28Å; S274-R276 PolarHBondContact O-N 2.61Å
275	K	93.8	Very high	80.6	Confident	98 Å²	98	53.5 Å²	53.5	43%	0.426	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	125.8	175.1	-137.9	-163.1	169.3	-173.1	0	108.5	M248 I249 Y250	M248-K275 HydrophobicContact CE-CB 4Å; M248-K275 HydrophobicContact CE-CD 3.49Å; M248-K275 VanDerWaalsContact CE-CD 3.49Å; M248-K275 HydrophobicContact CE-CG 3.34Å; I249-K275 WeakPolarHBondContact O-CA 3.49Å; Y250-K275 HydrophobicContact CE1-CB 4.45Å; Y250-K275 HydrophobicContact CE1-CG 4.12Å; Y250-K275 HydrophobicContact CE2-CG 4.44Å
276	R	95.6	Very high	83.1	Confident	57 Å²	57	51.8 Å²	51.8	22%	0.215	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	148.4	-179.7	-65.4	-65	180	-96.3	1.3	110.2	M248 I249 K251 S274 Y287 M288	M248-R276 VanDerWaalsContact CE-C 3.49Å; M248-R276 WeakPolarHBondContact CE-O 3.31Å; I249-R276 HydrophobicContact CG1-CB 4.13Å; I249-R276 WeakPolarHBondContact CG1-O 3.28Å; I249-R276 PolarHBondContact N-O 2.76Å; I249-R276 PolarHBondContact O-N 2.93Å; K251-R276 HydrophobicContact CB-CB 4.42Å; K251-R276 HydrophobicContact CB-CG 3.99Å; S274-R276 PolarHBondContact O-N 2.61Å; R276-Y287 HydrophobicContact CB-CD2 4.36Å; R276-Y287 HydrophobicContact CB-CG 4.46Å; R276-Y287 HydrophobicContact CG-CD2 3.97Å; R276-Y287 HydrophobicContact CG-CG 4.47Å; R276-M288 WeakPolarHBondContact CD-O 3.28Å
277	W	96.8	Very high	85.6	Confident	4 Å²	4	44.2 Å²	44.2	2%	0.015	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	114.4	168.4	-173	-92.1	0	0	0	108.3	F77 E227 V231 E246 M248 Y287 M288	F77-W277 HydrophobicContact CD2-CD2 4.44Å; F77-W277 HydrophobicContact CD2-CE3 4.27Å; F77-W277 HydrophobicContact CE2-CB 3.89Å; F77-W277 AromaticContact CE2-CD1 3.94Å; F77-W277 AromaticContact CE2-CD2 3.44Å; F77-W277 HydrophobicContact CE2-CD2 3.44Å; F77-W277 VanDerWaalsContact CE2-CD2 3.44Å; F77-W277 AromaticContact CE2-CE2 3.96Å; F77-W277 AromaticContact CE2-CE3 3.68Å; F77-W277 HydrophobicContact CE2-CE3 3.68Å; F77-W277 AromaticContact CE2-CG 3.48Å; F77-W277 HydrophobicContact CE2-CG 3.48Å; F77-W277 VanDerWaalsContact CE2-CG 3.48Å; F77-W277 HydrophobicContact CE2-CZ3 4.43Å; F77-W277 HydrophobicContact CZ-CB 3.78Å; F77-W277 AromaticContact CZ-CD1 3.77Å; F77-W277 HydrophobicContact CZ-CD2 4.05Å; F77-W277 AromaticContact CZ-CG 3.58Å; F77-W277 HydrophobicContact CZ-CG 3.58Å; E227-W277 HydrophobicContact CB-CZ3 4.31Å; E227-W277 HydrophobicContact CG-CZ3 4.18Å; V231-W277 WeakPolarHBondContact O-CZ2 3.21Å; E246-W277 HydrophobicContact CB-CZ2 3.92Å; E246-W277 PolarHBondContact OE2-NE1 3.35Å; E246-W277 VanDerWaalsContact OE2-NE1 3.15Å; M248-W277 HydrophobicContact CG-CE3 3.81Å; M248-W277 HydrophobicContact CG-CZ3 4.01Å; M248-W277 HydrophobicContact SD-CB 4.13Å; M248-W277 HydrophobicContact SD-CD2 4.36Å; M248-W277 HydrophobicContact SD-CE3 3.45Å; M248-W277 HydrophobicContact SD-CZ3 4.23Å; W277-Y287 CarbonylContact O-C 3.58Å; W277-Y287 WeakPolarHBondContact O-CA 3.36Å; W277-M288 HydrophobicContact CB-CB 4.39Å; W277-M288 PolarHBondContact N-O 2.94Å; W277-M288 PolarHBondContact O-N 3.41Å
278	L	97.4	Very high	87.9	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	138.1	177	-173.7	72.1	0	0	0	109.1	E246 G247 I249 L286 L329 F331 W342 I346	E246-L278 CarbonylContact C-O 3.57Å; E246-L278 WeakPolarHBondContact CA-O 3.35Å; G247-L278 PolarHBondContact N-O 2.6Å; G247-L278 PolarHBondContact O-N 2.91Å; I249-L278 HydrophobicContact CD1-CB 3.9Å; I249-L278 HydrophobicContact CD1-CD1 4.18Å; I249-L278 HydrophobicContact CD1-CD2 4.28Å; I249-L278 HydrophobicContact CD1-CG 4.36Å; I249-L278 HydrophobicContact CG1-CB 3.98Å; I249-L278 HydrophobicContact CG2-CB 4.03Å; I249-L278 HydrophobicContact CG2-CD2 4.31Å; L278-L286 WeakPolarHBondContact CA-O 3.39Å; L278-L286 WeakPolarHBondContact CD1-O 3.48Å; L278-L329 HydrophobicContact CD1-CD2 4.32Å; L278-F331 HydrophobicContact CD2-CE1 4.13Å; L278-F331 HydrophobicContact CD2-CZ 4.23Å; L278-W342 HydrophobicContact CB-CH2 4.38Å; L278-W342 HydrophobicContact CB-CZ3 4.49Å; L278-W342 HydrophobicContact CD2-CE3 4.11Å; L278-W342 HydrophobicContact CD2-CH2 4.31Å; L278-W342 HydrophobicContact CD2-CZ3 3.67Å; L278-W342 HydrophobicContact CG-CZ3 4.43Å; L278-I346 HydrophobicContact CD2-CD1 4.4Å
279	V	97.5	Very high	89.9	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	129.9	174.2	-179.8	0	0	0	0	108.6	E246 K281 L285 L286 M288	E246-V279 HydrophobicContact CG-CB 4.28Å; E246-V279 HydrophobicContact CG-CG1 3.97Å; E246-V279 HydrophobicContact CG-CG2 4.24Å; V279-K281 HydrophobicContact CG1-CD 4.42Å; V279-K281 HydrophobicContact CG1-CG 4.23Å; V279-L285 WeakPolarHBondContact O-CA 3.36Å; V279-L286 HydrophobicContact CB-CD1 3.73Å; V279-L286 HydrophobicContact CB-CG 4.01Å; V279-L286 HydrophobicContact CG2-CD1 3.78Å; V279-L286 PolarHBondContact N-O 3.11Å; V279-L286 PolarHBondContact O-N 3Å; V279-M288 HydrophobicContact CG2-SD 4.29Å
280	V	97.1	Very high	91.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	124.9	177.2	-176.6	0	0	0	0	108.8	G244 L245 L285 I346 F349 V350	G244-V280 VanDerWaalsContact CA-O 3.23Å; G244-V280 WeakPolarHBondContact CA-O 3.02Å; G244-V280 PolarHBondContact N-O 2.74Å; L245-V280 HydrophobicContact CB-CG2 4.41Å; L245-V280 VanDerWaalsContact O-CB 3.3Å; L245-V280 WeakPolarHBondContact O-CB 3.42Å; L245-V280 VanDerWaalsContact O-CG2 3.22Å; L245-V280 WeakPolarHBondContact O-CG2 3.44Å; L245-V280 PolarHBondContact O-N 2.81Å; V280-L285 HydrophobicContact CG1-CG 4.3Å; V280-L285 HydrophobicContact CG2-CD2 4.28Å; V280-L285 HydrophobicContact CG2-CG 4.23Å; V280-I346 HydrophobicContact CG1-CG2 4.35Å; V280-I346 HydrophobicContact CG2-CD1 4.47Å; V280-I346 HydrophobicContact CG2-CG1 3.86Å; V280-F349 HydrophobicContact CG1-CD1 3.78Å; V280-F349 HydrophobicContact CG1-CE1 4.27Å; V280-F349 HydrophobicContact CG1-CG 4.48Å; V280-V350 HydrophobicContact CG1-CG2 4.42Å
281	K	96.7	Very high	93.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	16%	0.159	C	C	.	.			trans	-123.1	174.9	172.9	-63.6	-62.4	-170.2	165.4	0	109.5	L234 S235 L240 V279 S283 F284	L234-K281 WeakPolarHBondContact O-CE 3.4Å; L234-K281 PolarHBondContact O-NZ 3.29Å; S235-K281 PolarHBondContact O-NZ 2.71Å; L240-K281 HydrophobicContact CB-CD 4.24Å; L240-K281 WeakPolarHBondContact O-CD 3.18Å; V279-K281 HydrophobicContact CG1-CD 4.42Å; V279-K281 HydrophobicContact CG1-CG 4.23Å; K281-S283 VanDerWaalsContact C-N 3.33Å; K281-S283 PolarHBondContact O-N 3.15Å; K281-F284 CarbonylContact C-O 3.57Å; K281-F284 WeakPolarHBondContact CA-O 3.44Å; K281-F284 HydrophobicContact CB-CD1 4.12Å; K281-F284 HydrophobicContact CB-CD2 4.45Å; K281-F284 HydrophobicContact CB-CE1 3.78Å; K281-F284 HydrophobicContact CB-CE2 4.07Å; K281-F284 HydrophobicContact CB-CG 4.46Å; K281-F284 HydrophobicContact CB-CZ 3.75Å; K281-F284 HydrophobicContact CG-CE1 4.11Å; K281-F284 HydrophobicContact CG-CE2 3.88Å; K281-F284 HydrophobicContact CG-CZ 3.59Å; K281-F284 PolarHBondContact N-O 3.37Å
282	D	94.8	Very high	94.4	Very high	6 Å²	6	35.8 Å²	35.8	3%	0.032	16%	0.164	C	C	.	.	S	Bend	trans	-64	-36	-171.6	65.3	-23.4	0	0	0	113.5	P242 H353 G354 S710	P242-D282 HydrophobicContact CG-CB 4.16Å; D282-H353 HydrophobicContact CB-CB 3.76Å; D282-G354 WeakPolarHBondContact O-CA 3.41Å; D282-S710 VanDerWaalsContact OD2-CB 3.24Å; D282-S710 WeakPolarHBondContact OD2-CB 3.31Å; D282-S710 PolarHBondContact OD2-OG 3.39Å
283	S	95.5	Very high	94.8	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.007	13%	0.127	C	C	.	.	S	Bend	trans	-115.4	-6.7	-172.2	54.4	0	0	0	0	113.4	K281 V301 F357	K281-S283 VanDerWaalsContact C-N 3.33Å; K281-S283 PolarHBondContact O-N 3.15Å; S283-V301 WeakPolarHBondContact O-CB 3.31Å; S283-V301 PolarHBondContact O-N 3.46Å; S283-F357 VanDerWaalsContact CB-CE2 3.43Å
284	F	97.4	Very high	95	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	162.5	179.8	67.6	-85.7	0	0	0	113.1	L240 K281 L286 V298 L299 L300 L707 P708	L240-F284 HydrophobicContact CD2-CE1 4.38Å; L240-F284 HydrophobicContact CD2-CZ 4.04Å; K281-F284 CarbonylContact C-O 3.57Å; K281-F284 WeakPolarHBondContact CA-O 3.44Å; K281-F284 HydrophobicContact CB-CD1 4.12Å; K281-F284 HydrophobicContact CB-CD2 4.45Å; K281-F284 HydrophobicContact CB-CE1 3.78Å; K281-F284 HydrophobicContact CB-CE2 4.07Å; K281-F284 HydrophobicContact CB-CG 4.46Å; K281-F284 HydrophobicContact CB-CZ 3.75Å; K281-F284 HydrophobicContact CG-CE1 4.11Å; K281-F284 HydrophobicContact CG-CE2 3.88Å; K281-F284 HydrophobicContact CG-CZ 3.59Å; K281-F284 PolarHBondContact N-O 3.37Å; F284-L286 HydrophobicContact CD2-CB 4.28Å; F284-L286 HydrophobicContact CD2-CD2 4.36Å; F284-L286 HydrophobicContact CD2-CG 4.46Å; F284-L286 HydrophobicContact CE2-CB 4.32Å; F284-L286 HydrophobicContact CE2-CD2 3.63Å; F284-L286 HydrophobicContact CE2-CG 4.04Å; F284-V298 HydrophobicContact CB-CG1 4.05Å; F284-V298 HydrophobicContact CD2-CG1 3.91Å; F284-V298 HydrophobicContact CG-CG1 4.13Å; F284-L299 CarbonylContact C-O 3.48Å; F284-L299 VanDerWaalsContact CA-O 3.24Å; F284-L299 WeakPolarHBondContact CA-O 3.29Å; F284-L299 WeakPolarHBondContact CB-O 3.35Å; F284-L300 HydrophobicContact CB-CD2 3.9Å; F284-L707 HydrophobicContact CD2-CD2 4.47Å; F284-L707 HydrophobicContact CE2-CD2 4.01Å; F284-L707 HydrophobicContact CZ-CB 4.3Å; F284-L707 HydrophobicContact CZ-CD1 4.35Å; F284-L707 HydrophobicContact CZ-CD2 4.32Å; F284-P708 HydrophobicContact CD1-CG 3.42Å; F284-P708 VanDerWaalsContact CD1-CG 3.42Å; F284-P708 HydrophobicContact CE1-CG 3.92Å; F284-P708 HydrophobicContact CG-CG 4.22Å
285	L	97.1	Very high	95.2	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	144.2	164.3	-69.9	71.3	0	0	0	108.3	V279 V280 V298 L299 V301 F305 I346 V350	V279-L285 WeakPolarHBondContact O-CA 3.36Å; V280-L285 HydrophobicContact CG1-CG 4.3Å; V280-L285 HydrophobicContact CG2-CD2 4.28Å; V280-L285 HydrophobicContact CG2-CG 4.23Å; L285-V298 CarbonylContact O-C 3.52Å; L285-L299 HydrophobicContact CB-CB 4.4Å; L285-L299 PolarHBondContact N-O 3.48Å; L285-L299 PolarHBondContact O-N 3.17Å; L285-V301 HydrophobicContact CD1-CG2 4.08Å; L285-F305 HydrophobicContact CD1-CE2 3.67Å; L285-F305 HydrophobicContact CD1-CZ 3.81Å; L285-I346 HydrophobicContact CD2-CD1 4.4Å; L285-I346 HydrophobicContact CD2-CG2 3.94Å; L285-V350 HydrophobicContact CD1-CG2 4.45Å
286	L	96.7	Very high	95.1	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.005	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	163.1	171.7	68.5	73.6	0	0	0	110.9	L234 L278 V279 F284 M288 I295 F297 V298 L707	L234-L286 HydrophobicContact CD1-CD1 4.04Å; L234-L286 HydrophobicContact CD1-CD2 3.72Å; L234-L286 HydrophobicContact CD1-CG 4.49Å; L278-L286 WeakPolarHBondContact CA-O 3.39Å; L278-L286 WeakPolarHBondContact CD1-O 3.48Å; V279-L286 HydrophobicContact CB-CD1 3.73Å; V279-L286 HydrophobicContact CB-CG 4.01Å; V279-L286 HydrophobicContact CG2-CD1 3.78Å; V279-L286 PolarHBondContact N-O 3.11Å; V279-L286 PolarHBondContact O-N 3Å; F284-L286 HydrophobicContact CD2-CB 4.28Å; F284-L286 HydrophobicContact CD2-CD2 4.36Å; F284-L286 HydrophobicContact CD2-CG 4.46Å; F284-L286 HydrophobicContact CE2-CB 4.32Å; F284-L286 HydrophobicContact CE2-CD2 3.63Å; F284-L286 HydrophobicContact CE2-CG 4.04Å; L286-M288 HydrophobicContact CD1-CG 3.59Å; L286-M288 HydrophobicContact CD1-SD 4.16Å; L286-I295 HydrophobicContact CB-CG2 4.49Å; L286-I295 HydrophobicContact CD2-CD1 4.3Å; L286-I295 HydrophobicContact CD2-CG1 4.45Å; L286-I295 HydrophobicContact CD2-CG2 4.34Å; L286-F297 VanDerWaalsContact CA-O 3.29Å; L286-F297 WeakPolarHBondContact CA-O 3.5Å; L286-F297 VanDerWaalsContact CB-O 3.28Å; L286-F297 WeakPolarHBondContact CB-O 3.44Å; L286-V298 HydrophobicContact CB-CG2 4.24Å; L286-L707 HydrophobicContact CD2-CD1 3.77Å; L286-L707 HydrophobicContact CD2-CD2 3.56Å; L286-L707 HydrophobicContact CD2-CG 4.35Å
287	Y	95.5	Very high	95	Very high	14 Å²	14	16.6 Å²	16.6	6%	0.055	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	140.4	167.9	60	-105.8	0	0	0	112.8	K251 R276 W277 S296 F297 R327 L329	K251-Y287 HydrophobicContact CD-CE1 4.49Å; K251-Y287 WeakPolarHBondContact CE-OH 3.34Å; K251-Y287 HydrophobicContact CG-CE1 4.36Å; R276-Y287 HydrophobicContact CB-CD2 4.36Å; R276-Y287 HydrophobicContact CB-CG 4.46Å; R276-Y287 HydrophobicContact CG-CD2 3.97Å; R276-Y287 HydrophobicContact CG-CG 4.47Å; W277-Y287 CarbonylContact O-C 3.58Å; W277-Y287 WeakPolarHBondContact O-CA 3.36Å; Y287-S296 VanDerWaalsContact CE2-CB 3.43Å; Y287-S296 PolarHBondContact O-N 3.01Å; Y287-F297 HydrophobicContact CD1-CB 4.26Å; Y287-F297 HydrophobicContact CD2-CB 4.45Å; Y287-F297 HydrophobicContact CE1-CB 3.55Å; Y287-F297 HydrophobicContact CE1-CD1 4.02Å; Y287-F297 HydrophobicContact CE1-CG 4.11Å; Y287-F297 HydrophobicContact CE2-CB 3.76Å; Y287-F297 PolarHBondContact N-O 2.88Å; Y287-F297 VanDerWaalsContact N-O 3.17Å; Y287-F297 WeakPolarHBondContact OH-CB 3.39Å; Y287-R327 PolarHBondContact OH-NH1 3.02Å; Y287-L329 HydrophobicContact CD1-CD1 4.36Å; Y287-L329 HydrophobicContact CE1-CD1 4.02Å
288	M	95.9	Very high	94.9	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	154.6	-177.2	-55.4	168.7	77.3	0	0	110.6	T74 F77 L234 R276 W277 V279 L286 G293 A294 I295	T74-M288 HydrophobicContact CG2-CE 3.98Å; F77-M288 HydrophobicContact CE1-CB 4.49Å; F77-M288 HydrophobicContact CE1-CE 4.08Å; F77-M288 HydrophobicContact CE1-SD 4.39Å; F77-M288 HydrophobicContact CZ-CE 4.44Å; F77-M288 HydrophobicContact CZ-SD 4.2Å; L234-M288 HydrophobicContact CD1-CE 4.06Å; L234-M288 HydrophobicContact CD1-SD 3.62Å; L234-M288 HydrophobicContact CG-CE 4.16Å; L234-M288 HydrophobicContact CG-SD 4.06Å; R276-M288 WeakPolarHBondContact CD-O 3.28Å; W277-M288 HydrophobicContact CB-CB 4.39Å; W277-M288 PolarHBondContact N-O 2.94Å; W277-M288 PolarHBondContact O-N 3.41Å; V279-M288 HydrophobicContact CG2-SD 4.29Å; L286-M288 HydrophobicContact CD1-CG 3.59Å; L286-M288 HydrophobicContact CD1-SD 4.16Å; M288-G293 WeakPolarHBondContact CE-O 3.43Å; M288-A294 WeakPolarHBondContact CA-O 3.35Å; M288-I295 HydrophobicContact CG-CG1 4.23Å
289	K	94.2	Very high	94.9	Very high	74 Å²	74	16.8 Å²	16.8	32%	0.322	9%	0.093	S	C	.	.			trans	-83.9	126.2	166.6	-51.2	-173.9	-179.3	171.9	0	109.1	D291 S292 G293 A294 S296	K289-D291 VanDerWaalsContact C-N 3.28Å; K289-D291 WeakPolarHBondContact CB-OD1 3.46Å; K289-D291 PolarHBondContact O-N 3.2Å; K289-S292 WeakPolarHBondContact CB-OG 3.07Å; K289-G293 VanDerWaalsContact O-CA 3.31Å; K289-G293 WeakPolarHBondContact O-CA 3.25Å; K289-G293 PolarHBondContact O-N 3.03Å; K289-A294 PolarHBondContact N-O 3.46Å; K289-S296 WeakPolarHBondContact CE-OG 3.15Å; K289-S296 WeakPolarHBondContact CG-OG 3.28Å
290	P	92	Very high	94.8	Very high	35 Å²	35	17.2 Å²	17.2	23%	0.227	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-32.2	-178.5	-23.2	33.5	0	0	0	113.9	F77 M248	F77-P290 WeakPolarHBondContact CB-O 3.24Å; F77-P290 PolarHBondContact N-O 3.08Å; M248-P290 HydrophobicContact CE-CG 3.48Å; M248-P290 VanDerWaalsContact CE-CG 3.48Å; M248-P290 HydrophobicContact SD-CG 3.85Å
291	D	91.3	Very high	94.8	Very high	103 Å²	103	17.2 Å²	17.2	55%	0.551	10%	0.095	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-33	-176.2	57.3	-0.9	0	0	0	113.9	G76 K289	G76-D291 VanDerWaalsContact CA-O 3.3Å; G76-D291 WeakPolarHBondContact CA-O 3.5Å; K289-D291 VanDerWaalsContact C-N 3.28Å; K289-D291 WeakPolarHBondContact CB-OD1 3.46Å; K289-D291 PolarHBondContact O-N 3.2Å
292	S	92.1	Very high	94.7	Very high	42 Å²	42	17.8 Å²	17.8	29%	0.294	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.6	-8.2	-170.2	47.4	0	0	0	0	113.3	V75 K289 A294	V75-S292 CarbonylContact C-O 3.53Å; K289-S292 WeakPolarHBondContact CB-OG 3.07Å; S292-A294 PolarHBondContact O-N 3.44Å
293	G	92.2	Very high	94.7	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.112	C	C	.	.			trans	67.8	-0.9	-172.3	0	0	0	0	0	114.4	T74 V75 M288 K289 I295	T74-G293 WeakPolarHBondContact CB-O 3.45Å; T74-G293 PolarHBondContact OG1-O 3.05Å; V75-G293 WeakPolarHBondContact O-CA 3.42Å; V75-G293 PolarHBondContact O-N 3.39Å; M288-G293 WeakPolarHBondContact CE-O 3.43Å; K289-G293 VanDerWaalsContact O-CA 3.31Å; K289-G293 WeakPolarHBondContact O-CA 3.25Å; K289-G293 PolarHBondContact O-N 3.03Å; G293-I295 PolarHBondContact O-N 3.48Å
294	A	93.6	Very high	94.7	Very high	9 Å²	9	24.4 Å²	24.4	7%	0.074	13%	0.128	C	C	.	.			trans	-69	126.3	-172.6	0	0	0	0	0	111.6	M288 K289 S292 S296 L701	M288-A294 WeakPolarHBondContact CA-O 3.35Å; K289-A294 PolarHBondContact N-O 3.46Å; S292-A294 PolarHBondContact O-N 3.44Å; A294-S296 PolarHBondContact O-N 3.07Å; A294-S296 PolarHBondContact O-OG 3.4Å; A294-L701 HydrophobicContact CB-CD1 4.32Å; A294-L701 HydrophobicContact CB-CD2 3.71Å
295	I	96.1	Very high	94.6	Very high	20 Å²	20	25.6 Å²	25.6	10%	0.103	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	120.7	168.6	-59.6	167.8	0	0	0	108	L234 L286 M288 G293 V298 F705 L707	L234-I295 HydrophobicContact CD1-CD1 4.29Å; L234-I295 HydrophobicContact CD1-CG1 4.45Å; L286-I295 HydrophobicContact CB-CG2 4.49Å; L286-I295 HydrophobicContact CD2-CD1 4.3Å; L286-I295 HydrophobicContact CD2-CG1 4.45Å; L286-I295 HydrophobicContact CD2-CG2 4.34Å; M288-I295 HydrophobicContact CG-CG1 4.23Å; G293-I295 PolarHBondContact O-N 3.48Å; I295-V298 HydrophobicContact CG2-CG2 4.01Å; I295-F705 HydrophobicContact CG2-CB 3.9Å; I295-F705 HydrophobicContact CG2-CD2 4.4Å; I295-F705 HydrophobicContact CG2-CG 4.36Å; I295-F705 WeakPolarHBondContact O-CD2 3.14Å; I295-L707 HydrophobicContact CD1-CD1 3.93Å; I295-L707 HydrophobicContact CD1-CD2 4.43Å; I295-L707 HydrophobicContact CD1-CG 4.34Å
296	S	91.3	Very high	94.5	Very high	26 Å²	26	27.7 Å²	27.7	18%	0.182	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	-20.8	-175.6	-70.1	0	0	0	0	113.7	Y287 K289 A294 F705	Y287-S296 VanDerWaalsContact CE2-CB 3.43Å; Y287-S296 PolarHBondContact O-N 3.01Å; K289-S296 WeakPolarHBondContact CE-OG 3.15Å; K289-S296 WeakPolarHBondContact CG-OG 3.28Å; A294-S296 PolarHBondContact O-N 3.07Å; A294-S296 PolarHBondContact O-OG 3.4Å; S296-F705 WeakPolarHBondContact O-CE2 3.32Å; S296-F705 VanDerWaalsContact O-CZ 3.29Å; S296-F705 WeakPolarHBondContact O-CZ 3.42Å
297	F	93.2	Very high	94.5	Very high	13 Å²	13	28.8 Å²	28.8	6%	0.057	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.9	154	176.2	-171.5	-100.6	0	0	0	111.4	H256 L286 Y287 L299 R327 I693 F705	H256-F297 AromaticContact CE1-CD2 3.84Å; H256-F297 AromaticContact CE1-CE2 3.64Å; H256-F297 AromaticContact ND1-CE2 3.91Å; L286-F297 VanDerWaalsContact CA-O 3.29Å; L286-F297 WeakPolarHBondContact CA-O 3.5Å; L286-F297 VanDerWaalsContact CB-O 3.28Å; L286-F297 WeakPolarHBondContact CB-O 3.44Å; Y287-F297 HydrophobicContact CD1-CB 4.26Å; Y287-F297 HydrophobicContact CD2-CB 4.45Å; Y287-F297 HydrophobicContact CE1-CB 3.55Å; Y287-F297 HydrophobicContact CE1-CD1 4.02Å; Y287-F297 HydrophobicContact CE1-CG 4.11Å; Y287-F297 HydrophobicContact CE2-CB 3.76Å; Y287-F297 PolarHBondContact N-O 2.88Å; Y287-F297 VanDerWaalsContact N-O 3.17Å; Y287-F297 WeakPolarHBondContact OH-CB 3.39Å; F297-L299 HydrophobicContact CD1-CB 4.33Å; F297-L299 HydrophobicContact CE1-CB 3.88Å; F297-L299 HydrophobicContact CE1-CD1 4.07Å; F297-R327 HydrophobicContact CE1-CG 4.42Å; F297-R327 VanDerWaalsContact CE1-NH1 3.33Å; F297-R327 HydrophobicContact CZ-CB 4.31Å; F297-R327 HydrophobicContact CZ-CG 4.37Å; F297-I693 HydrophobicContact CD2-CG2 4.37Å; F297-I693 HydrophobicContact CE2-CD1 4.4Å; F297-I693 HydrophobicContact CE2-CG2 4.38Å; F297-F705 HydrophobicContact CD2-CE1 4.19Å; F297-F705 HydrophobicContact CD2-CZ 4.33Å
298	V	96.1	Very high	94.4	Very high	6 Å²	6	31.1 Å²	31.1	4%	0.036	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	123.2	175.9	-174.7	0	0	0	0	108.4	F284 L285 L286 I295 L300 F705 L707	F284-V298 HydrophobicContact CB-CG1 4.05Å; F284-V298 HydrophobicContact CD2-CG1 3.91Å; F284-V298 HydrophobicContact CG-CG1 4.13Å; L285-V298 CarbonylContact O-C 3.52Å; L286-V298 HydrophobicContact CB-CG2 4.24Å; I295-V298 HydrophobicContact CG2-CG2 4.01Å; V298-L300 HydrophobicContact CG1-CD2 3.88Å; V298-F705 HydrophobicContact CG2-CB 3.88Å; V298-F705 HydrophobicContact CG2-CD1 4.24Å; V298-F705 HydrophobicContact CG2-CG 4.3Å; V298-L707 HydrophobicContact CB-CD2 4.38Å; V298-L707 HydrophobicContact CG1-CD2 4.04Å; V298-L707 HydrophobicContact CG2-CD2 3.39Å
299	L	95.9	Very high	94.3	Very high	2 Å²	2	33 Å²	33	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	108.9	176.4	-175.5	71.2	0	0	0	108.1	F284 L285 F297 V322 S324 R327 L329	F284-L299 CarbonylContact C-O 3.48Å; F284-L299 VanDerWaalsContact CA-O 3.24Å; F284-L299 WeakPolarHBondContact CA-O 3.29Å; F284-L299 WeakPolarHBondContact CB-O 3.35Å; L285-L299 HydrophobicContact CB-CB 4.4Å; L285-L299 PolarHBondContact N-O 3.48Å; L285-L299 PolarHBondContact O-N 3.17Å; F297-L299 HydrophobicContact CD1-CB 4.33Å; F297-L299 HydrophobicContact CE1-CB 3.88Å; F297-L299 HydrophobicContact CE1-CD1 4.07Å; L299-V322 HydrophobicContact CD2-CB 4.27Å; L299-V322 HydrophobicContact CD2-CG1 3.75Å; L299-S324 WeakPolarHBondContact CD1-OG 3.31Å; L299-R327 HydrophobicContact CD1-CB 3.7Å; L299-R327 HydrophobicContact CD1-CG 4.16Å; L299-L329 HydrophobicContact CD2-CB 4.3Å; L299-L329 HydrophobicContact CD2-CD2 4.46Å
300	L	96.6	Very high	93.9	Very high	8 Å²	8	33.2 Å²	33.2	4%	0.042	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	142	-179.1	-52.1	171.4	0	0	0	109.9	F284 V298 R682 Q686 P708	F284-L300 HydrophobicContact CB-CD2 3.9Å; V298-L300 HydrophobicContact CG1-CD2 3.88Å; L300-R682 VanDerWaalsContact CB-NH2 3.29Å; L300-Q686 HydrophobicContact CD1-CB 3.71Å; L300-Q686 HydrophobicContact CD1-CG 4.06Å; L300-P708 HydrophobicContact CD2-CG 4.1Å
301	V	96.5	Very high	93.6	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.191	C	C	.	.			trans	-75.1	129.5	173.5	176	0	0	0	0	108.5	S283 L285 F305 V350 F357 L358 R682	S283-V301 WeakPolarHBondContact O-CB 3.31Å; S283-V301 PolarHBondContact O-N 3.46Å; L285-V301 HydrophobicContact CD1-CG2 4.08Å; V301-F305 HydrophobicContact CB-CD2 4.4Å; V301-F305 HydrophobicContact CG1-CB 4.14Å; V301-F305 HydrophobicContact CG1-CD2 4.31Å; V301-F305 HydrophobicContact CG1-CG 4.09Å; V301-F305 HydrophobicContact CG2-CD2 4.14Å; V301-F305 HydrophobicContact CG2-CE2 4.11Å; V301-V350 HydrophobicContact CB-CG1 4.32Å; V301-V350 HydrophobicContact CG1-CG1 3.48Å; V301-V350 VanDerWaalsContact CG1-CG1 3.48Å; V301-V350 HydrophobicContact CG2-CG1 3.83Å; V301-V350 HydrophobicContact CG2-CG2 4.28Å; V301-F357 HydrophobicContact CB-CB 4.47Å; V301-F357 HydrophobicContact CG1-CB 4.1Å; V301-F357 WeakPolarHBondContact O-CB 3.38Å; V301-L358 HydrophobicContact CG1-CD2 3.46Å; V301-L358 VanDerWaalsContact CG1-CD2 3.46Å; V301-L358 HydrophobicContact CG1-CG 4.15Å; V301-R682 PolarHBondContact O-NH2 2.84Å
302	D	95.6	Very high	93.3	Very high	12 Å²	12	38.8 Å²	38.8	6%	0.064	20%	0.203	C	C	.	.			trans	-143.2	-178.5	-179.4	60.7	47.7	0	0	0	111.5	E304 F305 S324 L325 F357	D302-E304 PolarHBondContact O-N 3.04Å; D302-E304 VanDerWaalsContact O-N 3.15Å; D302-E304 PolarHBondContact OD1-N 3.39Å; D302-F305 WeakPolarHBondContact O-CB 3.4Å; D302-F305 PolarHBondContact O-N 2.93Å; D302-F305 PolarHBondContact OD1-N 3.37Å; D302-S324 WeakPolarHBondContact OD2-CB 3.28Å; D302-L325 HydrophobicContact CB-CD1 4Å; D302-L325 HydrophobicContact CB-CG 4.39Å; D302-L325 VanDerWaalsContact CG-N 3.34Å; D302-L325 PolarHBondContact OD1-N 3.44Å; D302-L325 VanDerWaalsContact OD1-N 3.09Å; D302-L325 VanDerWaalsContact OD2-CB 3.3Å; D302-L325 WeakPolarHBondContact OD2-CB 3.45Å; D302-L325 PolarHBondContact OD2-N 2.81Å; D302-F357 CarbonylContact C-O 3.5Å; D302-F357 VanDerWaalsContact CA-O 3.27Å; D302-F357 WeakPolarHBondContact CA-O 3.27Å
303	K	94	Very high	92.9	Very high	75 Å²	75	40.4 Å²	40.4	33%	0.326	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-20.3	-176.3	68	170.9	-173.7	174	0	114.9	F305 L325 F357 E360	K303-F305 VanDerWaalsContact C-N 3.34Å; K303-L325 HydrophobicContact CG-CD1 4.34Å; K303-F357 PolarHBondContact N-O 3.4Å; K303-F357 VanDerWaalsContact N-O 3.08Å; K303-E360 HydrophobicContact CD-CG 3.99Å; K303-E360 IonicContact NZ-OE1 2.66Å; K303-E360 PolarHBondContact NZ-OE1 2.86Å
304	E	94.7	Very high	92.6	Very high	71 Å²	71	40.4 Å²	40.4	33%	0.332	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	7.2	176	-64.4	-66.7	140.4	0	0	112	D302 S306 L325	D302-E304 PolarHBondContact O-N 3.04Å; D302-E304 VanDerWaalsContact O-N 3.15Å; D302-E304 PolarHBondContact OD1-N 3.39Å; E304-S306 PolarHBondContact O-N 2.94Å; E304-S306 VanDerWaalsContact O-N 3.1Å; E304-S306 PolarHBondContact O-OG 2.83Å; E304-L325 HydrophobicContact CB-CD2 4.27Å; E304-L325 HydrophobicContact CB-CG 4.13Å; E304-L325 HydrophobicContact CG-CD2 3.45Å; E304-L325 VanDerWaalsContact CG-CD2 3.45Å; E304-L325 HydrophobicContact CG-CG 3.8Å
305	F	96	Very high	92.2	Very high	26 Å²	26	44.2 Å²	44.2	11%	0.114	22%	0.222	C	C	.	.			trans	-63.2	114.4	-179.3	-172.9	-88.2	0	0	0	110.7	L285 V301 D302 K303 I307 V322 D323 I346 V350 L358	L285-F305 HydrophobicContact CD1-CE2 3.67Å; L285-F305 HydrophobicContact CD1-CZ 3.81Å; V301-F305 HydrophobicContact CB-CD2 4.4Å; V301-F305 HydrophobicContact CG1-CB 4.14Å; V301-F305 HydrophobicContact CG1-CD2 4.31Å; V301-F305 HydrophobicContact CG1-CG 4.09Å; V301-F305 HydrophobicContact CG2-CD2 4.14Å; V301-F305 HydrophobicContact CG2-CE2 4.11Å; D302-F305 WeakPolarHBondContact O-CB 3.4Å; D302-F305 PolarHBondContact O-N 2.93Å; D302-F305 PolarHBondContact OD1-N 3.37Å; K303-F305 VanDerWaalsContact C-N 3.34Å; F305-I307 HydrophobicContact CE1-CD1 3.88Å; F305-I307 HydrophobicContact CE1-CG1 4Å; F305-I307 HydrophobicContact CZ-CD1 4.2Å; F305-I307 HydrophobicContact CZ-CG1 4.35Å; F305-V322 HydrophobicContact CD2-CG1 4.07Å; F305-V322 HydrophobicContact CE1-CG1 4.49Å; F305-V322 HydrophobicContact CE2-CG1 3.33Å; F305-V322 HydrophobicContact CZ-CG1 3.59Å; F305-D323 VanDerWaalsContact CA-O 3.28Å; F305-D323 WeakPolarHBondContact CA-O 3.26Å; F305-I346 HydrophobicContact CE1-CG2 4.45Å; F305-I346 HydrophobicContact CZ-CG2 4Å; F305-V350 HydrophobicContact CD1-CG1 4.08Å; F305-V350 HydrophobicContact CE1-CB 4.16Å; F305-V350 HydrophobicContact CE1-CG1 3.97Å; F305-V350 HydrophobicContact CE1-CG2 4.13Å; F305-V350 HydrophobicContact CZ-CG2 4.14Å; F305-L358 HydrophobicContact CB-CD2 3.72Å; F305-L358 HydrophobicContact CD1-CD2 4.05Å; F305-L358 HydrophobicContact CG-CD2 4.19Å
306	S	95.6	Very high	91.6	Very high	45 Å²	45	44.6 Å²	44.6	32%	0.315	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	152.8	-179.4	58.8	0	0	0	0	111.7	E304 V322 D323	E304-S306 PolarHBondContact O-N 2.94Å; E304-S306 VanDerWaalsContact O-N 3.1Å; E304-S306 PolarHBondContact O-OG 2.83Å; S306-V322 WeakPolarHBondContact O-CA 3.37Å; S306-D323 PolarHBondContact N-O 3.1Å; S306-D323 PolarHBondContact O-N 2.87Å
307	I	95.8	Very high	91.3	Very high	23 Å²	23	50.4 Å²	50.4	12%	0.118	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	129.8	-175.9	-62.3	179.5	0	0	0	109.4	F305 V320 R321 V322 I346 E347	F305-I307 HydrophobicContact CE1-CD1 3.88Å; F305-I307 HydrophobicContact CE1-CG1 4Å; F305-I307 HydrophobicContact CZ-CD1 4.2Å; F305-I307 HydrophobicContact CZ-CG1 4.35Å; I307-V320 HydrophobicContact CG2-CG1 4.03Å; I307-R321 CarbonylContact C-O 3.55Å; I307-R321 WeakPolarHBondContact CA-O 3.37Å; I307-V322 HydrophobicContact CG1-CG1 4.49Å; I307-V322 HydrophobicContact CG1-CG2 4.4Å; I307-I346 HydrophobicContact CD1-CB 3.6Å; I307-I346 HydrophobicContact CD1-CG2 3.4Å; I307-E347 HydrophobicContact CD1-CB 3.92Å
308	K	94.6	Very high	91.1	Very high	64 Å²	64	52.6 Å²	52.6	28%	0.278	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	138	-176.2	-67.4	173.7	176.1	-132.2	0	109.8	E313 T314 R321	K308-E313 HydrophobicContact CB-CB 4.21Å; K308-E313 VanDerWaalsContact CB-OE2 3.3Å; K308-E313 WeakPolarHBondContact CB-OE2 3.47Å; K308-E313 HydrophobicContact CD-CB 4.26Å; K308-E313 HydrophobicContact CD-CG 4.49Å; K308-E313 WeakPolarHBondContact CD-OE1 3.23Å; K308-E313 WeakPolarHBondContact CE-OE1 3.22Å; K308-E313 VanDerWaalsContact CG-OE2 3.31Å; K308-E313 WeakPolarHBondContact CG-OE2 3.35Å; K308-E313 IonicContact NZ-OE1 3.68Å; K308-E313 PolarHBondContact NZ-OE1 2.96Å; K308-T314 WeakPolarHBondContact O-CG2 3.41Å; K308-R321 HydrophobicContact CB-CB 4.12Å; K308-R321 HydrophobicContact CB-CG 4.47Å; K308-R321 PolarHBondContact N-O 2.79Å; K308-R321 PolarHBondContact O-N 2.83Å
309	M	93.3	Very high	91	Very high	40 Å²	40	52.3 Å²	52.3	20%	0.197	26%	0.258	C	S	.	.			trans	-129.7	-3.4	-174.6	-64.9	170.2	-80.7	0	0	113.1	V320 R340 Q344	M309-V320 HydrophobicContact CG-CG2 4.42Å; M309-R340 HydrophobicContact SD-CG 4.31Å; M309-Q344 HydrophobicContact CE-CG 4.49Å
310	D	86.5	Confident	91	Very high	78 Å²	78	52.2 Å²	52.2	42%	0.417	26%	0.257	S	S	.	.			trans	-71.3	140.1	178.2	-170	-81.8	0	0	0	110.6	K312 E313 T314	D310-K312 PolarHBondContact O-N 3.28Å; D310-K312 WeakPolarHBondContact OD1-CA 3.43Å; D310-K312 WeakPolarHBondContact OD1-CB 3.18Å; D310-K312 WeakPolarHBondContact OD1-CG 3.24Å; D310-K312 PolarHBondContact OD1-N 3.07Å; D310-E313 HydrophobicContact CB-CB 4.31Å; D310-E313 HydrophobicContact CB-CG 4.14Å; D310-E313 PolarHBondContact O-N 3.41Å; D310-E313 VanDerWaalsContact O-N 3.17Å; D310-T314 WeakPolarHBondContact O-CB 3.32Å; D310-T314 VanDerWaalsContact O-CG2 3.24Å; D310-T314 WeakPolarHBondContact O-CG2 3.25Å; D310-T314 PolarHBondContact O-N 2.88Å; D310-T314 PolarHBondContact O-OG1 2.83Å
311	S	84	Confident	90.9	Very high	71 Å²	71	54.5 Å²	54.5	50%	0.497	27%	0.265	S	S	.	.	H	α-helix	trans	-64.1	-28.8	-178.3	53.5	0	0	0	0	112.7	T314 E315	S311-T314 WeakPolarHBondContact CA-OG1 3.43Å; S311-E315 WeakPolarHBondContact O-CA 3.48Å; S311-E315 PolarHBondContact O-N 2.85Å
312	K	85.5	Confident	90.8	Very high	184 Å²	184	54.5 Å²	54.5	80%	0.8	27%	0.265	S	S	*	.	H	α-helix	trans	-69.9	-40.6	174.2	-60.4	179.4	178.5	178.3	0	111.3	D310	D310-K312 PolarHBondContact O-N 3.28Å; D310-K312 WeakPolarHBondContact OD1-CA 3.43Å; D310-K312 WeakPolarHBondContact OD1-CB 3.18Å; D310-K312 WeakPolarHBondContact OD1-CG 3.24Å; D310-K312 PolarHBondContact OD1-N 3.07Å
313	E	84.9	Confident	90.8	Very high	75 Å²	75	54.8 Å²	54.8	35%	0.35	27%	0.267	S	S	.	.	H	α-helix	trans	-78.1	-32.4	-178.7	-65.4	-166.7	116	0	0	113.6	K308 D310 R321	K308-E313 HydrophobicContact CB-CB 4.21Å; K308-E313 VanDerWaalsContact CB-OE2 3.3Å; K308-E313 WeakPolarHBondContact CB-OE2 3.47Å; K308-E313 HydrophobicContact CD-CB 4.26Å; K308-E313 HydrophobicContact CD-CG 4.49Å; K308-E313 WeakPolarHBondContact CD-OE1 3.23Å; K308-E313 WeakPolarHBondContact CE-OE1 3.22Å; K308-E313 VanDerWaalsContact CG-OE2 3.31Å; K308-E313 WeakPolarHBondContact CG-OE2 3.35Å; K308-E313 IonicContact NZ-OE1 3.68Å; K308-E313 PolarHBondContact NZ-OE1 2.96Å; D310-E313 HydrophobicContact CB-CB 4.31Å; D310-E313 HydrophobicContact CB-CG 4.14Å; D310-E313 PolarHBondContact O-N 3.41Å; D310-E313 VanDerWaalsContact O-N 3.17Å; E313-R321 VanDerWaalsContact O-CD 3.31Å; E313-R321 WeakPolarHBondContact O-CD 3.49Å; E313-R321 PolarHBondContact O-NH1 2.92Å; E313-R321 VanDerWaalsContact O-NH1 3.16Å
314	T	85.1	Confident	90.7	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.006	25%	0.254	C	S	.	.	H	α-helix	trans	-89.5	-13.5	-178.9	60.1	0	0	0	0	112.6	K308 D310 S311 T316 R321	K308-T314 WeakPolarHBondContact O-CG2 3.41Å; D310-T314 WeakPolarHBondContact O-CB 3.32Å; D310-T314 VanDerWaalsContact O-CG2 3.24Å; D310-T314 WeakPolarHBondContact O-CG2 3.25Å; D310-T314 PolarHBondContact O-N 2.88Å; D310-T314 PolarHBondContact O-OG1 2.83Å; S311-T314 WeakPolarHBondContact CA-OG1 3.43Å; T314-T316 PolarHBondContact O-N 3.1Å; T314-T316 VanDerWaalsContact O-N 3.1Å; T314-T316 PolarHBondContact OG1-O 3.04Å; T314-T316 VanDerWaalsContact OG1-O 3.09Å; T314-R321 HydrophobicContact CG2-CB 3.81Å
315	E	84.4	Confident	90.5	Very high	88 Å²	88	48.9 Å²	48.9	41%	0.411	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	26.5	-176.2	-55	162.7	173.1	0	0	112.5	R252 S311	R252-E315 IonicContact CZ-OE2 3.51Å; R252-E315 IonicContact NH1-OE2 2.72Å; R252-E315 PolarHBondContact NH1-OE2 2.99Å; R252-E315 IonicContact NH2-OE2 3.43Å; R252-E315 PolarHBondContact NH2-OE2 3.4Å; S311-E315 WeakPolarHBondContact O-CA 3.48Å; S311-E315 PolarHBondContact O-N 2.85Å
316	T	84.8	Confident	90.1	Very high	28 Å²	28	48.8 Å²	48.8	17%	0.172	24%	0.244	C	C	.	.	S	Bend	trans	-153.7	145.2	-178.7	-163.3	0	0	0	0	110.9	W273 T314 H318 G319 V330	W273-T316 HydrophobicContact CH2-CG2 4.09Å; T314-T316 PolarHBondContact O-N 3.1Å; T314-T316 VanDerWaalsContact O-N 3.1Å; T314-T316 PolarHBondContact OG1-O 3.04Å; T314-T316 VanDerWaalsContact OG1-O 3.09Å; T316-H318 PolarHBondContact O-N 3.09Å; T316-G319 PolarHBondContact O-N 2.9Å; T316-V330 HydrophobicContact CG2-CG1 4.25Å
317	Q	84.2	Confident	89.7	Confident	148 Å²	148	46.8 Å²	46.8	69%	0.692	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.7	124.8	177.2	-168.7	179.9	-0.8	0	0	109.6	G319	Q317-G319 VanDerWaalsContact C-N 3.34Å; Q317-G319 PolarHBondContact O-N 3.37Å
318	H	90.1	Very high	89.5	Confident	59 Å²	59	46.9 Å²	46.9	27%	0.273	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	39.6	-176.7	-44.1	-43.2	0	0	0	113.6	T316 C333 Y336	T316-H318 PolarHBondContact O-N 3.09Å; H318-C333 WeakPolarHBondContact O-CB 3.24Å; H318-C333 PolarHBondContact O-N 2.82Å; H318-Y336 PolarHBondContact ND1-N 2.96Å
319	G	92.6	Very high	89.3	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	157.8	175.7	0	0	0	0	0	114.3	T316 Q317 F331	T316-G319 PolarHBondContact O-N 2.9Å; Q317-G319 VanDerWaalsContact C-N 3.34Å; Q317-G319 PolarHBondContact O-N 3.37Å; G319-F331 CarbonylContact C-O 3.55Å; G319-F331 WeakPolarHBondContact CA-O 3.46Å
320	V	95.8	Very high	89.3	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	129.4	160.5	-178.4	0	0	0	0	107.4	I307 M309 V322 V330 F331 A339 W342	I307-V320 HydrophobicContact CG2-CG1 4.03Å; M309-V320 HydrophobicContact CG-CG2 4.42Å; V320-V322 HydrophobicContact CG1-CG2 4.43Å; V320-V330 WeakPolarHBondContact O-CA 3.21Å; V320-F331 HydrophobicContact CB-CD1 4.23Å; V320-F331 HydrophobicContact CB-CD2 4.23Å; V320-F331 HydrophobicContact CB-CE1 3.72Å; V320-F331 HydrophobicContact CB-CE2 3.72Å; V320-F331 HydrophobicContact CB-CG 4.48Å; V320-F331 HydrophobicContact CB-CZ 3.45Å; V320-F331 VanDerWaalsContact CB-CZ 3.45Å; V320-F331 HydrophobicContact CG1-CE1 3.73Å; V320-F331 HydrophobicContact CG1-CE2 4.36Å; V320-F331 HydrophobicContact CG1-CZ 3.6Å; V320-F331 HydrophobicContact CG2-CE2 3.85Å; V320-F331 HydrophobicContact CG2-CZ 3.91Å; V320-F331 PolarHBondContact N-O 3.26Å; V320-F331 PolarHBondContact O-N 3.39Å; V320-A339 HydrophobicContact CG2-CB 3.93Å; V320-A339 WeakPolarHBondContact CG2-O 3.44Å; V320-W342 HydrophobicContact CG2-CB 4.15Å
321	R	95.1	Very high	89.7	Confident	56 Å²	56	38.6 Å²	38.6	21%	0.211	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	129.7	176.3	169	177.1	174.6	157.6	6.6	108.7	I307 K308 E313 T314 D323 T328 L329 V330	I307-R321 CarbonylContact C-O 3.55Å; I307-R321 WeakPolarHBondContact CA-O 3.37Å; K308-R321 HydrophobicContact CB-CB 4.12Å; K308-R321 HydrophobicContact CB-CG 4.47Å; K308-R321 PolarHBondContact N-O 2.79Å; K308-R321 PolarHBondContact O-N 2.83Å; E313-R321 VanDerWaalsContact O-CD 3.31Å; E313-R321 WeakPolarHBondContact O-CD 3.49Å; E313-R321 PolarHBondContact O-NH1 2.92Å; E313-R321 VanDerWaalsContact O-NH1 3.16Å; T314-R321 HydrophobicContact CG2-CB 3.81Å; R321-D323 IonicContact CZ-OD1 3.4Å; R321-D323 IonicContact CZ-OD2 3.29Å; R321-D323 VanDerWaalsContact NE-CG 3.34Å; R321-D323 IonicContact NE-OD1 2.84Å; R321-D323 PolarHBondContact NE-OD1 3.49Å; R321-D323 IonicContact NE-OD2 3.22Å; R321-D323 PolarHBondContact NE-OD2 3.34Å; R321-D323 IonicContact NH2-OD1 3.58Å; R321-D323 PolarHBondContact NH2-OD1 2.76Å; R321-D323 IonicContact NH2-OD2 2.68Å; R321-D323 PolarHBondContact NH2-OD2 3.15Å; R321-T328 HydrophobicContact CG-CG2 3.88Å; R321-L329 CarbonylContact C-O 3.55Å; R321-L329 VanDerWaalsContact CA-O 3.3Å; R321-L329 WeakPolarHBondContact CA-O 3.33Å; R321-V330 HydrophobicContact CB-CG2 4.11Å; R321-V330 HydrophobicContact CG-CG2 4.11Å
322	V	95.5	Very high	90.1	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	116.9	175.3	-172.5	0	0	0	0	107.6	L299 F305 S306 I307 V320 T328 L329 F331	L299-V322 HydrophobicContact CD2-CB 4.27Å; L299-V322 HydrophobicContact CD2-CG1 3.75Å; F305-V322 HydrophobicContact CD2-CG1 4.07Å; F305-V322 HydrophobicContact CE1-CG1 4.49Å; F305-V322 HydrophobicContact CE2-CG1 3.33Å; F305-V322 HydrophobicContact CZ-CG1 3.59Å; S306-V322 WeakPolarHBondContact O-CA 3.37Å; I307-V322 HydrophobicContact CG1-CG1 4.49Å; I307-V322 HydrophobicContact CG1-CG2 4.4Å; V320-V322 HydrophobicContact CG1-CG2 4.43Å; V322-T328 CarbonylContact O-C 3.58Å; V322-T328 WeakPolarHBondContact O-CA 3.35Å; V322-L329 HydrophobicContact CB-CB 4.37Å; V322-L329 PolarHBondContact N-O 2.82Å; V322-L329 PolarHBondContact O-N 3.13Å; V322-F331 HydrophobicContact CG2-CE1 4.37Å
323	D	93.9	Very high	90.3	Very high	19 Å²	19	31 Å²	31	10%	0.102	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	154.7	175.9	-69.1	-58.8	0	0	0	110.4	F305 S306 R321 T328	F305-D323 VanDerWaalsContact CA-O 3.28Å; F305-D323 WeakPolarHBondContact CA-O 3.26Å; S306-D323 PolarHBondContact N-O 3.1Å; S306-D323 PolarHBondContact O-N 2.87Å; R321-D323 IonicContact CZ-OD1 3.4Å; R321-D323 IonicContact CZ-OD2 3.29Å; R321-D323 VanDerWaalsContact NE-CG 3.34Å; R321-D323 IonicContact NE-OD1 2.84Å; R321-D323 PolarHBondContact NE-OD1 3.49Å; R321-D323 IonicContact NE-OD2 3.22Å; R321-D323 PolarHBondContact NE-OD2 3.34Å; R321-D323 IonicContact NH2-OD1 3.58Å; R321-D323 PolarHBondContact NH2-OD1 2.76Å; R321-D323 IonicContact NH2-OD2 2.68Å; R321-D323 PolarHBondContact NH2-OD2 3.15Å; D323-T328 VanDerWaalsContact OD1-CB 3.3Å; D323-T328 WeakPolarHBondContact OD1-CB 3.45Å; D323-T328 WeakPolarHBondContact OD1-CG2 3.33Å; D323-T328 PolarHBondContact OD1-OG1 3.26Å
324	S	93.3	Very high	90.4	Very high	6 Å²	6	32.3 Å²	32.3	4%	0.042	17%	0.169	C	C	.	.			trans	-154.8	175.3	175.5	66.6	0	0	0	0	108.7	L299 D302 S326 R327	L299-S324 WeakPolarHBondContact CD1-OG 3.31Å; D302-S324 WeakPolarHBondContact OD2-CB 3.28Å; S324-S326 PolarHBondContact O-N 3.08Å; S324-S326 PolarHBondContact OG-N 3.39Å; S324-S326 PolarHBondContact OG-OG 2.73Å; S324-R327 PolarHBondContact N-O 3Å; S324-R327 PolarHBondContact OG-N 3.43Å; S324-R327 PolarHBondContact OG-O 2.73Å
325	L	90.1	Very high	90.5	Very high	15 Å²	15	34.1 Å²	34.1	8%	0.079	18%	0.181	C	C	.	.	S	Bend	trans	-58.4	-30.4	173.9	-75.1	168	0	0	0	112.8	R257 D302 K303 E304 I742 K743 Y744	R257-L325 VanDerWaalsContact CD-O 3.32Å; R257-L325 WeakPolarHBondContact CD-O 3.45Å; R257-L325 PolarHBondContact NE-O 3.24Å; D302-L325 HydrophobicContact CB-CD1 4Å; D302-L325 HydrophobicContact CB-CG 4.39Å; D302-L325 VanDerWaalsContact CG-N 3.34Å; D302-L325 PolarHBondContact OD1-N 3.44Å; D302-L325 VanDerWaalsContact OD1-N 3.09Å; D302-L325 VanDerWaalsContact OD2-CB 3.3Å; D302-L325 WeakPolarHBondContact OD2-CB 3.45Å; D302-L325 PolarHBondContact OD2-N 2.81Å; K303-L325 HydrophobicContact CG-CD1 4.34Å; E304-L325 HydrophobicContact CB-CD2 4.27Å; E304-L325 HydrophobicContact CB-CG 4.13Å; E304-L325 HydrophobicContact CG-CD2 3.45Å; E304-L325 VanDerWaalsContact CG-CD2 3.45Å; E304-L325 HydrophobicContact CG-CG 3.8Å; L325-I742 HydrophobicContact CB-CB 4.42Å; L325-I742 HydrophobicContact CB-CG2 4.29Å; L325-K743 HydrophobicContact CD2-CB 4.33Å; L325-K743 VanDerWaalsContact O-CB 3.31Å; L325-K743 WeakPolarHBondContact O-CB 3.48Å; L325-K743 PolarHBondContact O-N 3.17Å; L325-Y744 HydrophobicContact CD2-CD2 3.85Å
326	S	86.5	Confident	90.7	Very high	25 Å²	25	35.4 Å²	35.4	18%	0.175	18%	0.183	C	C	.	.	S	Bend	trans	-102.7	-24.1	-171.2	65	0	0	0	0	114.9	S324 G741	S324-S326 PolarHBondContact O-N 3.08Å; S324-S326 PolarHBondContact OG-N 3.39Å; S324-S326 PolarHBondContact OG-OG 2.73Å; S326-G741 VanDerWaalsContact CA-O 3.24Å; S326-G741 WeakPolarHBondContact CA-O 3.41Å; S326-G741 WeakPolarHBondContact CB-O 3.35Å
327	R	88.1	Confident	90.7	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.008	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-161	149.3	-169.4	175.2	168.4	-160.7	172.6	14.2	113.6	K251 G254 G255 H256 Y287 F297 L299 S324	K251-R327 VanDerWaalsContact NZ-NH2 3.13Å; G254-R327 PolarHBondContact O-NH2 3.22Å; G255-R327 WeakPolarHBondContact O-CG 3.41Å; H256-R327 PolarHBondContact CE1-NH1 3.48Å; H256-R327 PolarHBondContact CE1-NH2 2.92Å; H256-R327 VanDerWaalsContact NE2-CZ 3.33Å; H256-R327 PolarHBondContact NE2-NH2 2.95Å; Y287-R327 PolarHBondContact OH-NH1 3.02Å; F297-R327 HydrophobicContact CE1-CG 4.42Å; F297-R327 VanDerWaalsContact CE1-NH1 3.33Å; F297-R327 HydrophobicContact CZ-CB 4.31Å; F297-R327 HydrophobicContact CZ-CG 4.37Å; L299-R327 HydrophobicContact CD1-CB 3.7Å; L299-R327 HydrophobicContact CD1-CG 4.16Å; S324-R327 PolarHBondContact N-O 3Å; S324-R327 PolarHBondContact OG-N 3.43Å; S324-R327 PolarHBondContact OG-O 2.73Å
328	T	90.6	Very high	90.8	Very high	26 Å²	26	34.3 Å²	34.3	16%	0.16	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	121.1	160.5	-60.8	0	0	0	0	109.9	G255 R321 V322 D323 V330	G255-T328 WeakPolarHBondContact CA-O 3.47Å; G255-T328 PolarHBondContact O-N 2.95Å; R321-T328 HydrophobicContact CG-CG2 3.88Å; V322-T328 CarbonylContact O-C 3.58Å; V322-T328 WeakPolarHBondContact O-CA 3.35Å; D323-T328 VanDerWaalsContact OD1-CB 3.3Å; D323-T328 WeakPolarHBondContact OD1-CB 3.45Å; D323-T328 WeakPolarHBondContact OD1-CG2 3.33Å; D323-T328 PolarHBondContact OD1-OG1 3.26Å; T328-V330 HydrophobicContact CG2-CG2 4.06Å
329	L	92.1	Very high	90.9	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.021	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	128.9	173.2	173.8	63.8	0	0	0	109.3	K251 L278 Y287 L299 R321 V322	K251-L329 HydrophobicContact CG-CD1 3.69Å; L278-L329 HydrophobicContact CD1-CD2 4.32Å; Y287-L329 HydrophobicContact CD1-CD1 4.36Å; Y287-L329 HydrophobicContact CE1-CD1 4.02Å; L299-L329 HydrophobicContact CD2-CB 4.3Å; L299-L329 HydrophobicContact CD2-CD2 4.46Å; R321-L329 CarbonylContact C-O 3.55Å; R321-L329 VanDerWaalsContact CA-O 3.3Å; R321-L329 WeakPolarHBondContact CA-O 3.33Å; V322-L329 HydrophobicContact CB-CB 4.37Å; V322-L329 PolarHBondContact N-O 2.82Å; V322-L329 PolarHBondContact O-N 3.13Å
330	V	93.1	Very high	90.8	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.024	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	132.6	174.6	-176.9	0	0	0	0	109.8	R252 W273 T316 V320 R321 T328	R252-V330 HydrophobicContact CB-CB 4.16Å; R252-V330 WeakPolarHBondContact CB-O 3.49Å; R252-V330 PolarHBondContact N-O 2.85Å; W273-V330 HydrophobicContact CH2-CG1 4.44Å; T316-V330 HydrophobicContact CG2-CG1 4.25Å; V320-V330 WeakPolarHBondContact O-CA 3.21Å; R321-V330 HydrophobicContact CB-CG2 4.11Å; R321-V330 HydrophobicContact CG-CG2 4.11Å; T328-V330 HydrophobicContact CG2-CG2 4.06Å
331	F	94.1	Very high	90.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	152.4	171.3	64.7	-89.8	0	0	0	111.6	I249 Y250 L278 G319 V320 V322 W342 I346	I249-F331 HydrophobicContact CB-CB 4.22Å; I249-F331 HydrophobicContact CB-CD2 4.03Å; I249-F331 HydrophobicContact CB-CG 4.27Å; I249-F331 HydrophobicContact CD1-CB 3.75Å; I249-F331 HydrophobicContact CD1-CD1 4.21Å; I249-F331 HydrophobicContact CD1-CD2 4.49Å; I249-F331 HydrophobicContact CD1-CG 3.93Å; I249-F331 HydrophobicContact CG2-CD2 3.84Å; I249-F331 HydrophobicContact CG2-CE2 4.03Å; I249-F331 HydrophobicContact CG2-CG 4.38Å; Y250-F331 CarbonylContact O-C 3.56Å; Y250-F331 WeakPolarHBondContact O-CA 3.26Å; Y250-F331 VanDerWaalsContact O-CB 3.3Å; Y250-F331 WeakPolarHBondContact O-CB 3.46Å; L278-F331 HydrophobicContact CD2-CE1 4.13Å; L278-F331 HydrophobicContact CD2-CZ 4.23Å; G319-F331 CarbonylContact C-O 3.55Å; G319-F331 WeakPolarHBondContact CA-O 3.46Å; V320-F331 HydrophobicContact CB-CD1 4.23Å; V320-F331 HydrophobicContact CB-CD2 4.23Å; V320-F331 HydrophobicContact CB-CE1 3.72Å; V320-F331 HydrophobicContact CB-CE2 3.72Å; V320-F331 HydrophobicContact CB-CG 4.48Å; V320-F331 HydrophobicContact CB-CZ 3.45Å; V320-F331 VanDerWaalsContact CB-CZ 3.45Å; V320-F331 HydrophobicContact CG1-CE1 3.73Å; V320-F331 HydrophobicContact CG1-CE2 4.36Å; V320-F331 HydrophobicContact CG1-CZ 3.6Å; V320-F331 HydrophobicContact CG2-CE2 3.85Å; V320-F331 HydrophobicContact CG2-CZ 3.91Å; V320-F331 PolarHBondContact N-O 3.26Å; V320-F331 PolarHBondContact O-N 3.39Å; V322-F331 HydrophobicContact CG2-CE1 4.37Å; F331-W342 HydrophobicContact CE2-CB 4.06Å; F331-W342 HydrophobicContact CE2-CD2 4.11Å; F331-W342 AromaticContact CE2-CG 3.9Å; F331-W342 HydrophobicContact CE2-CG 3.9Å; F331-W342 HydrophobicContact CZ-CB 4.1Å; F331-W342 HydrophobicContact CZ-CD2 4.29Å; F331-W342 HydrophobicContact CZ-CE3 4.28Å; F331-W342 HydrophobicContact CZ-CG 4.23Å; F331-I346 HydrophobicContact CE1-CD1 4.48Å; F331-I346 HydrophobicContact CZ-CD1 4.16Å
332	K	91.7	Very high	90.5	Very high	79 Å²	79	36.3 Å²	36.3	34%	0.343	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	145.2	179.4	66.6	177	-175.9	175.3	0	111.5	Y250 W273	Y250-K332 HydrophobicContact CG-CG 4.44Å; Y250-K332 PolarHBondContact O-N 3.06Å; W273-K332 HydrophobicContact CD2-CD 4.07Å; W273-K332 HydrophobicContact CD2-CG 4.44Å; W273-K332 HydrophobicContact CE3-CB 4.43Å; W273-K332 HydrophobicContact CE3-CD 3.98Å; W273-K332 HydrophobicContact CE3-CG 3.85Å; W273-K332 HydrophobicContact CH2-CB 3.93Å; W273-K332 HydrophobicContact CH2-CD 4.36Å; W273-K332 HydrophobicContact CH2-CG 4.21Å; W273-K332 HydrophobicContact CZ2-CD 4.45Å; W273-K332 HydrophobicContact CZ3-CB 3.79Å; W273-K332 HydrophobicContact CZ3-CD 4.13Å; W273-K332 HydrophobicContact CZ3-CG 3.71Å
333	C	90.3	Very high	90.5	Very high	17 Å²	17	36.3 Å²	36.3	12%	0.115	18%	0.177	C	C	.	.			trans	-113	165.2	176.9	-61.1	0	0	0	0	111.1	H318 S335 H338 A339	H318-C333 WeakPolarHBondContact O-CB 3.24Å; H318-C333 PolarHBondContact O-N 2.82Å; C333-S335 VanDerWaalsContact C-N 3.32Å; C333-S335 PolarHBondContact O-N 2.8Å; C333-H338 HydrophobicContact CB-CB 4.03Å; C333-A339 HydrophobicContact CB-CB 3.99Å
334	S	87.6	Confident	90.5	Very high	101 Å²	101	39.8 Å²	39.8	71%	0.706	19%	0.193	S	C	*	.	S	Bend	trans	-74.9	-18	-177.9	61.5	0	0	0	0	114.6	H338	S334-H338 PolarHBondContact OG-ND1 3.05Å
335	S	87.9	Confident	90.5	Very high	39 Å²	39	41.2 Å²	41.2	27%	0.273	20%	0.202	S	C	.	.	S	Bend	trans	-158.5	162.9	177.6	73.2	0	0	0	0	110.7	C333 R337 H338 A339	C333-S335 VanDerWaalsContact C-N 3.32Å; C333-S335 PolarHBondContact O-N 2.8Å; S335-R337 VanDerWaalsContact C-N 3.26Å; S335-R337 PolarHBondContact O-N 2.82Å; S335-H338 WeakPolarHBondContact O-CB 3.23Å; S335-H338 PolarHBondContact O-N 3.01Å; S335-H338 VanDerWaalsContact O-N 3.09Å; S335-H338 PolarHBondContact OG-N 2.92Å; S335-A339 PolarHBondContact O-N 3.13Å
336	Y	86.6	Confident	90.8	Very high	116 Å²	116	40.5 Å²	40.5	46%	0.455	20%	0.198	S	C	.	.	H	α-helix	trans	-58.3	-38.8	175.7	-179.7	-113.3	0	0	0	112.5	H318 H338 A339 R340	H318-Y336 PolarHBondContact ND1-N 2.96Å; Y336-H338 VanDerWaalsContact C-N 3.32Å; Y336-H338 PolarHBondContact O-N 2.84Å; Y336-A339 WeakPolarHBondContact O-CB 3.29Å; Y336-A339 PolarHBondContact O-N 3.17Å; Y336-R340 HydrophobicContact CD1-CG 4.36Å; Y336-R340 HydrophobicContact CE1-CG 3.93Å; Y336-R340 HydrophobicContact CE2-CG 4.18Å; Y336-R340 WeakPolarHBondContact O-CG 3.42Å; Y336-R340 PolarHBondContact O-N 2.99Å
337	R	85.3	Confident	91.2	Very high	101 Å²	101	42 Å²	42	38%	0.381	20%	0.203	S	C	.	.	H	α-helix	trans	-64.4	-37.2	175.9	-65.7	-173.6	-176.2	-178.1	2	112.4	S335 R340 W341	S335-R337 VanDerWaalsContact C-N 3.26Å; S335-R337 PolarHBondContact O-N 2.82Å; R337-R340 PolarHBondContact O-N 3.13Å; R337-W341 WeakPolarHBondContact O-CB 3.28Å; R337-W341 PolarHBondContact O-N 3.27Å
338	H	87.4	Confident	91.6	Very high	51 Å²	51	45.5 Å²	45.5	24%	0.236	23%	0.227	C	C	.	.	H	α-helix	trans	-67.4	-42.2	175.4	-168.5	-176.5	0	0	0	110.9	C333 S334 S335 Y336 W341 W342	C333-H338 HydrophobicContact CB-CB 4.03Å; S334-H338 PolarHBondContact OG-ND1 3.05Å; S335-H338 WeakPolarHBondContact O-CB 3.23Å; S335-H338 PolarHBondContact O-N 3.01Å; S335-H338 VanDerWaalsContact O-N 3.09Å; S335-H338 PolarHBondContact OG-N 2.92Å; Y336-H338 VanDerWaalsContact C-N 3.32Å; Y336-H338 PolarHBondContact O-N 2.84Å; H338-W341 AromaticContact CD2-CE3 3.7Å; H338-W341 PolarHBondContact O-N 3.03Å; H338-W342 AromaticContact CD2-CD1 3.27Å; H338-W342 AromaticContact CD2-NE1 3.46Å; H338-W342 PolarHBondContact CD2-NE1 2.74Å; H338-W342 AromaticContact CE1-NE1 3.91Å; H338-W342 AromaticContact NE2-CD1 3.33Å; H338-W342 VanDerWaalsContact NE2-CD1 3.33Å; H338-W342 AromaticContact NE2-NE1 2.96Å; H338-W342 PolarHBondContact NE2-NE1 2.69Å; H338-W342 PolarHBondContact O-N 3.36Å
339	A	91.8	Very high	91.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60	-45.1	173	0	0	0	0	0	111.9	V320 C333 S335 Y336 W341 W342 G343	V320-A339 HydrophobicContact CG2-CB 3.93Å; V320-A339 WeakPolarHBondContact CG2-O 3.44Å; C333-A339 HydrophobicContact CB-CB 3.99Å; S335-A339 PolarHBondContact O-N 3.13Å; Y336-A339 WeakPolarHBondContact O-CB 3.29Å; Y336-A339 PolarHBondContact O-N 3.17Å; A339-W341 PolarHBondContact O-N 3.45Å; A339-W342 PolarHBondContact O-N 3.38Å; A339-G343 PolarHBondContact O-N 2.83Å
340	R	91.2	Very high	92	Very high	104 Å²	104	45.4 Å²	45.4	39%	0.392	23%	0.225	S	C	.	.	H	α-helix	trans	-60	-44.8	174.7	-76.8	-168.6	67.4	159	3.8	112.7	M309 Y336 R337 G343 Q344	M309-R340 HydrophobicContact SD-CG 4.31Å; Y336-R340 HydrophobicContact CD1-CG 4.36Å; Y336-R340 HydrophobicContact CE1-CG 3.93Å; Y336-R340 HydrophobicContact CE2-CG 4.18Å; Y336-R340 WeakPolarHBondContact O-CG 3.42Å; Y336-R340 PolarHBondContact O-N 2.99Å; R337-R340 PolarHBondContact O-N 3.13Å; R340-G343 PolarHBondContact O-N 2.84Å; R340-Q344 VanDerWaalsContact O-CB 3.24Å; R340-Q344 WeakPolarHBondContact O-CB 3.3Å; R340-Q344 VanDerWaalsContact O-CG 3.27Å; R340-Q344 WeakPolarHBondContact O-CG 3.49Å; R340-Q344 PolarHBondContact O-N 2.87Å
341	W	89.6	Confident	92	Very high	47 Å²	47	52.9 Å²	52.9	18%	0.178	25%	0.252	C	S	.	.	H	α-helix	trans	-61.4	-48.3	178	174.8	38.6	0	0	0	111.5	K138 L245 R337 H338 A339 S345	K138-W341 HydrophobicContact CB-CD2 4.46Å; K138-W341 HydrophobicContact CB-CH2 4.08Å; K138-W341 HydrophobicContact CB-CZ2 3.86Å; K138-W341 HydrophobicContact CB-CZ3 4.45Å; K138-W341 HydrophobicContact CD-CD2 4.29Å; K138-W341 HydrophobicContact CD-CG 4.32Å; K138-W341 HydrophobicContact CG-CZ2 4.07Å; L245-W341 HydrophobicContact CD1-CH2 4.34Å; L245-W341 HydrophobicContact CD1-CZ2 3.86Å; R337-W341 WeakPolarHBondContact O-CB 3.28Å; R337-W341 PolarHBondContact O-N 3.27Å; H338-W341 AromaticContact CD2-CE3 3.7Å; H338-W341 PolarHBondContact O-N 3.03Å; A339-W341 PolarHBondContact O-N 3.45Å; W341-S345 PolarHBondContact NE1-OG 2.88Å; W341-S345 WeakPolarHBondContact O-CB 3.37Å; W341-S345 PolarHBondContact O-N 2.74Å; W341-S345 PolarHBondContact O-OG 2.83Å
342	W	94.1	Very high	92.1	Very high	7 Å²	7	56.7 Å²	56.7	3%	0.027	28%	0.279	C	S	.	.	H	α-helix	trans	-57.6	-55.3	174.2	-89.4	104.4	0	0	0	111.8	L245 I249 L278 V320 F331 H338 A339 Q344 S345 I346	L245-W342 HydrophobicContact CB-CZ3 4.33Å; L245-W342 HydrophobicContact CD2-CD2 3.73Å; L245-W342 HydrophobicContact CD2-CE3 3.25Å; L245-W342 HydrophobicContact CD2-CG 4.42Å; L245-W342 HydrophobicContact CD2-CH2 4.1Å; L245-W342 HydrophobicContact CD2-CZ2 4.49Å; L245-W342 HydrophobicContact CD2-CZ3 3.45Å; L245-W342 VanDerWaalsContact CD2-CZ3 3.45Å; L245-W342 HydrophobicContact CG-CE3 3.92Å; L245-W342 HydrophobicContact CG-CH2 3.9Å; L245-W342 HydrophobicContact CG-CZ3 3.54Å; I249-W342 HydrophobicContact CG2-CH2 4.17Å; I249-W342 HydrophobicContact CG2-CZ2 3.89Å; L278-W342 HydrophobicContact CB-CH2 4.38Å; L278-W342 HydrophobicContact CB-CZ3 4.49Å; L278-W342 HydrophobicContact CD2-CE3 4.11Å; L278-W342 HydrophobicContact CD2-CH2 4.31Å; L278-W342 HydrophobicContact CD2-CZ3 3.67Å; L278-W342 HydrophobicContact CG-CZ3 4.43Å; V320-W342 HydrophobicContact CG2-CB 4.15Å; F331-W342 HydrophobicContact CE2-CB 4.06Å; F331-W342 HydrophobicContact CE2-CD2 4.11Å; F331-W342 AromaticContact CE2-CG 3.9Å; F331-W342 HydrophobicContact CE2-CG 3.9Å; F331-W342 HydrophobicContact CZ-CB 4.1Å; F331-W342 HydrophobicContact CZ-CD2 4.29Å; F331-W342 HydrophobicContact CZ-CE3 4.28Å; F331-W342 HydrophobicContact CZ-CG 4.23Å; H338-W342 AromaticContact CD2-CD1 3.27Å; H338-W342 AromaticContact CD2-NE1 3.46Å; H338-W342 PolarHBondContact CD2-NE1 2.74Å; H338-W342 AromaticContact CE1-NE1 3.91Å; H338-W342 AromaticContact NE2-CD1 3.33Å; H338-W342 VanDerWaalsContact NE2-CD1 3.33Å; H338-W342 AromaticContact NE2-NE1 2.96Å; H338-W342 PolarHBondContact NE2-NE1 2.69Å; H338-W342 PolarHBondContact O-N 3.36Å; A339-W342 PolarHBondContact O-N 3.38Å; W342-Q344 PolarHBondContact O-N 2.75Å; W342-S345 PolarHBondContact O-N 3.37Å; W342-I346 HydrophobicContact CE3-CD1 3.96Å; W342-I346 HydrophobicContact CE3-CG1 4.29Å; W342-I346 WeakPolarHBondContact O-CG1 3.44Å; W342-I346 PolarHBondContact O-N 3.29Å
343	G	95.1	Very high	92.2	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-59.5	-50.1	-175.6	0	0	0	0	0	112.6	A339 R340 S345 E347	A339-G343 PolarHBondContact O-N 2.83Å; R340-G343 PolarHBondContact O-N 2.84Å; G343-S345 PolarHBondContact O-N 2.77Å; G343-E347 WeakPolarHBondContact O-CB 3.29Å; G343-E347 PolarHBondContact O-N 3.48Å
344	Q	94.5	Very high	92.3	Very high	92 Å²	92	56.8 Å²	56.8	43%	0.43	28%	0.279	S	S	.	.	H	α-helix	trans	-67.5	-35.6	180	-67.6	-179.9	-39	0	0	112.7	M309 R340 W342 S348	M309-Q344 HydrophobicContact CE-CG 4.49Å; R340-Q344 VanDerWaalsContact O-CB 3.24Å; R340-Q344 WeakPolarHBondContact O-CB 3.3Å; R340-Q344 VanDerWaalsContact O-CG 3.27Å; R340-Q344 WeakPolarHBondContact O-CG 3.49Å; R340-Q344 PolarHBondContact O-N 2.87Å; W342-Q344 PolarHBondContact O-N 2.75Å; Q344-S348 WeakPolarHBondContact O-CB 3.21Å; Q344-S348 PolarHBondContact O-N 3.06Å
345	S	93.8	Very high	92.5	Very high	35 Å²	35	58.6 Å²	58.6	25%	0.245	27%	0.274	C	S	.	.	H	α-helix	trans	-70	-43.3	178.8	-57.1	0	0	0	0	111.6	W341 W342 G343 F349	W341-S345 PolarHBondContact NE1-OG 2.88Å; W341-S345 WeakPolarHBondContact O-CB 3.37Å; W341-S345 PolarHBondContact O-N 2.74Å; W341-S345 PolarHBondContact O-OG 2.83Å; W342-S345 PolarHBondContact O-N 3.37Å; G343-S345 PolarHBondContact O-N 2.77Å; S345-F349 WeakPolarHBondContact O-CB 3.09Å; S345-F349 PolarHBondContact O-N 3.45Å
346	I	95.9	Very high	92.7	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.8	-48.4	174.3	-61.8	166	0	0	0	109.2	L278 V280 L285 F305 I307 F331 W342 S348 F349 V350	L278-I346 HydrophobicContact CD2-CD1 4.4Å; V280-I346 HydrophobicContact CG1-CG2 4.35Å; V280-I346 HydrophobicContact CG2-CD1 4.47Å; V280-I346 HydrophobicContact CG2-CG1 3.86Å; L285-I346 HydrophobicContact CD2-CD1 4.4Å; L285-I346 HydrophobicContact CD2-CG2 3.94Å; F305-I346 HydrophobicContact CE1-CG2 4.45Å; F305-I346 HydrophobicContact CZ-CG2 4Å; I307-I346 HydrophobicContact CD1-CB 3.6Å; I307-I346 HydrophobicContact CD1-CG2 3.4Å; F331-I346 HydrophobicContact CE1-CD1 4.48Å; F331-I346 HydrophobicContact CZ-CD1 4.16Å; W342-I346 HydrophobicContact CE3-CD1 3.96Å; W342-I346 HydrophobicContact CE3-CG1 4.29Å; W342-I346 WeakPolarHBondContact O-CG1 3.44Å; W342-I346 PolarHBondContact O-N 3.29Å; I346-S348 PolarHBondContact O-N 2.94Å; I346-F349 PolarHBondContact O-N 3.01Å; I346-V350 HydrophobicContact CG2-CG2 4.18Å; I346-V350 WeakPolarHBondContact O-CB 3.41Å; I346-V350 WeakPolarHBondContact O-CG2 3.25Å; I346-V350 PolarHBondContact O-N 3.49Å
347	E	95.4	Very high	93.1	Very high	58 Å²	58	52.6 Å²	52.6	27%	0.271	25%	0.249	S	C	.	.	H	α-helix	trans	-59.4	-49.9	-178.9	-168.6	176.2	-167.6	0	0	111.7	I307 G343 F349 R351	I307-E347 HydrophobicContact CD1-CB 3.92Å; G343-E347 WeakPolarHBondContact O-CB 3.29Å; G343-E347 PolarHBondContact O-N 3.48Å; E347-F349 VanDerWaalsContact C-N 3.35Å; E347-F349 PolarHBondContact O-N 3.43Å; E347-R351 VanDerWaalsContact O-CB 3.3Å; E347-R351 WeakPolarHBondContact O-CB 3.19Å; E347-R351 VanDerWaalsContact O-CG 3.28Å; E347-R351 WeakPolarHBondContact O-CG 3.32Å; E347-R351 PolarHBondContact O-N 2.78Å; E347-R351 IonicContact OE1-CZ 3.92Å; E347-R351 IonicContact OE1-NE 3.67Å; E347-R351 IonicContact OE1-NH1 3.5Å; E347-R351 IonicContact OE1-NH2 3.33Å; E347-R351 PolarHBondContact OE1-NH2 2.89Å
348	S	95.3	Very high	93.5	Very high	74 Å²	74	50 Å²	50	52%	0.517	24%	0.243	S	C	.	.	H	α-helix	trans	-62.6	-41.6	179.4	-173.2	0	0	0	0	111.9	Q344 I346 S352	Q344-S348 WeakPolarHBondContact O-CB 3.21Å; Q344-S348 PolarHBondContact O-N 3.06Å; I346-S348 PolarHBondContact O-N 2.94Å; S348-S352 WeakPolarHBondContact O-CB 3.31Å; S348-S352 PolarHBondContact O-N 2.96Å; S348-S352 PolarHBondContact O-OG 3.27Å
349	F	95.6	Very high	93.7	Very high	28 Å²	28	53.8 Å²	53.8	12%	0.123	26%	0.255	C	S	.	.	H	α-helix	trans	-66.1	-50.6	-179.8	-175.9	-89.7	0	0	0	111.3	P242 G244 V280 S345 I346 E347 R351 S352 H353	P242-F349 HydrophobicContact CB-CE2 4.3Å; P242-F349 HydrophobicContact CB-CZ 4.01Å; P242-F349 HydrophobicContact CG-CZ 3.89Å; G244-F349 VanDerWaalsContact CA-CZ 3.47Å; V280-F349 HydrophobicContact CG1-CD1 3.78Å; V280-F349 HydrophobicContact CG1-CE1 4.27Å; V280-F349 HydrophobicContact CG1-CG 4.48Å; S345-F349 WeakPolarHBondContact O-CB 3.09Å; S345-F349 PolarHBondContact O-N 3.45Å; I346-F349 PolarHBondContact O-N 3.01Å; E347-F349 VanDerWaalsContact C-N 3.35Å; E347-F349 PolarHBondContact O-N 3.43Å; F349-R351 VanDerWaalsContact C-N 3.33Å; F349-R351 PolarHBondContact O-N 3.01Å; F349-S352 PolarHBondContact O-N 3.34Å; F349-S352 VanDerWaalsContact O-N 3.12Å; F349-H353 AromaticContact CD2-CD2 3.63Å; F349-H353 HydrophobicContact CE1-CB 4.5Å; F349-H353 AromaticContact CE2-CD2 3.51Å; F349-H353 AromaticContact CE2-NE2 3.86Å; F349-H353 AromaticContact CZ-CD2 3.83Å; F349-H353 PolarHBondContact O-CD2 2.97Å; F349-H353 PolarHBondContact O-N 3.33Å
350	V	95.4	Very high	93.7	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.006	29%	0.286	C	S	.	.	H	α-helix	trans	-66.1	-35.3	-179.9	177.5	0	0	0	0	111.1	V280 L285 V301 F305 I346 S352 G354 L358	V280-V350 HydrophobicContact CG1-CG2 4.42Å; L285-V350 HydrophobicContact CD1-CG2 4.45Å; V301-V350 HydrophobicContact CB-CG1 4.32Å; V301-V350 HydrophobicContact CG1-CG1 3.48Å; V301-V350 VanDerWaalsContact CG1-CG1 3.48Å; V301-V350 HydrophobicContact CG2-CG1 3.83Å; V301-V350 HydrophobicContact CG2-CG2 4.28Å; F305-V350 HydrophobicContact CD1-CG1 4.08Å; F305-V350 HydrophobicContact CE1-CB 4.16Å; F305-V350 HydrophobicContact CE1-CG1 3.97Å; F305-V350 HydrophobicContact CE1-CG2 4.13Å; F305-V350 HydrophobicContact CZ-CG2 4.14Å; I346-V350 HydrophobicContact CG2-CG2 4.18Å; I346-V350 WeakPolarHBondContact O-CB 3.41Å; I346-V350 WeakPolarHBondContact O-CG2 3.25Å; I346-V350 PolarHBondContact O-N 3.49Å; V350-S352 VanDerWaalsContact C-N 3.33Å; V350-S352 PolarHBondContact O-N 3.11Å; V350-G354 CarbonylContact O-C 3.6Å; V350-G354 WeakPolarHBondContact O-CA 3.36Å; V350-G354 PolarHBondContact O-N 3.33Å; V350-L358 HydrophobicContact CG1-CD1 4.15Å; V350-L358 HydrophobicContact CG1-CD2 3.93Å; V350-L358 HydrophobicContact CG1-CG 4.31Å
351	R	94.1	Very high	94	Very high	160 Å²	160	56.3 Å²	56.3	60%	0.604	27%	0.271	S	S	*	.	H	α-helix	trans	-65.3	-34.2	172.3	-77.8	-176.2	176.9	174.5	8.2	113.6	E347 F349 L358	E347-R351 VanDerWaalsContact O-CB 3.3Å; E347-R351 WeakPolarHBondContact O-CB 3.19Å; E347-R351 VanDerWaalsContact O-CG 3.28Å; E347-R351 WeakPolarHBondContact O-CG 3.32Å; E347-R351 PolarHBondContact O-N 2.78Å; E347-R351 IonicContact OE1-CZ 3.92Å; E347-R351 IonicContact OE1-NE 3.67Å; E347-R351 IonicContact OE1-NH1 3.5Å; E347-R351 IonicContact OE1-NH2 3.33Å; E347-R351 PolarHBondContact OE1-NH2 2.89Å; F349-R351 VanDerWaalsContact C-N 3.33Å; F349-R351 PolarHBondContact O-N 3.01Å; R351-L358 HydrophobicContact CG-CD1 4.13Å
352	S	94.6	Very high	94.4	Very high	81 Å²	81	56.7 Å²	56.7	57%	0.566	27%	0.272	S	S	*	.	H	α-helix	trans	-79.7	-40.7	-177.7	-55.9	0	0	0	0	112.1	S348 F349 V350	S348-S352 WeakPolarHBondContact O-CB 3.31Å; S348-S352 PolarHBondContact O-N 2.96Å; S348-S352 PolarHBondContact O-OG 3.27Å; F349-S352 PolarHBondContact O-N 3.34Å; F349-S352 VanDerWaalsContact O-N 3.12Å; V350-S352 VanDerWaalsContact C-N 3.33Å; V350-S352 PolarHBondContact O-N 3.11Å
353	H	94.9	Very high	94.6	Very high	97 Å²	97	57 Å²	57	45%	0.449	27%	0.274	S	S	.	.	H	α-helix	trans	-108.1	-28.5	-172.7	-60.9	-74.3	0	0	0	113.8	P242 D282 F349	P242-H353 HydrophobicContact CG-CB 4.13Å; D282-H353 HydrophobicContact CB-CB 3.76Å; F349-H353 AromaticContact CD2-CD2 3.63Å; F349-H353 HydrophobicContact CE1-CB 4.5Å; F349-H353 AromaticContact CE2-CD2 3.51Å; F349-H353 AromaticContact CE2-NE2 3.86Å; F349-H353 AromaticContact CZ-CD2 3.83Å; F349-H353 PolarHBondContact O-CD2 2.97Å; F349-H353 PolarHBondContact O-N 3.33Å
354	G	92.9	Very high	94.7	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.291	C	S	.	.			trans	-100.5	13.4	-175.7	0	0	0	0	0	115	D282 V350 A356 F357	D282-G354 WeakPolarHBondContact O-CA 3.41Å; V350-G354 CarbonylContact O-C 3.6Å; V350-G354 WeakPolarHBondContact O-CA 3.36Å; V350-G354 PolarHBondContact O-N 3.33Å; G354-A356 PolarHBondContact O-N 2.9Å; G354-F357 PolarHBondContact O-N 2.93Å
355	K	91.9	Very high	94.8	Very high	140 Å²	140	54.5 Å²	54.5	61%	0.609	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-52.5	-31.1	-176.3	-174.8	179.4	177.9	-176.8	0	113.5	F357 L358	K355-F357 PolarHBondContact O-N 2.88Å; K355-F357 VanDerWaalsContact O-N 3.16Å; K355-L358 PolarHBondContact O-N 2.9Å
356	A	91.9	Very high	95	Very high	19 Å²	19	54.2 Å²	54.2	16%	0.157	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-59	-21.2	177.2	0	0	0	0	0	113.8	G354 H361	G354-A356 PolarHBondContact O-N 2.9Å; A356-H361 PolarHBondContact O-CE1 3.22Å; A356-H361 PolarHBondContact O-NE2 3.39Å
357	F	94.6	Very high	95.1	Very high	9 Å²	9	54.3 Å²	54.3	4%	0.039	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-112.3	-8.4	-173.5	-49.4	-72.1	0	0	0	114.4	S283 V301 D302 K303 G354 K355 H711	S283-F357 VanDerWaalsContact CB-CE2 3.43Å; V301-F357 HydrophobicContact CB-CB 4.47Å; V301-F357 HydrophobicContact CG1-CB 4.1Å; V301-F357 WeakPolarHBondContact O-CB 3.38Å; D302-F357 CarbonylContact C-O 3.5Å; D302-F357 VanDerWaalsContact CA-O 3.27Å; D302-F357 WeakPolarHBondContact CA-O 3.27Å; K303-F357 PolarHBondContact N-O 3.4Å; K303-F357 VanDerWaalsContact N-O 3.08Å; G354-F357 PolarHBondContact O-N 2.93Å; K355-F357 PolarHBondContact O-N 2.88Å; K355-F357 VanDerWaalsContact O-N 3.16Å; F357-H711 AromaticContact CE1-CE1 3.53Å; F357-H711 AromaticContact CE1-NE2 3.88Å; F357-H711 AromaticContact CZ-CE1 3.44Å; F357-H711 VanDerWaalsContact CZ-CE1 3.44Å; F357-H711 WeakPolarHBondContact CZ-CE1 3.22Å; F357-H711 AromaticContact CZ-CG 3.97Å; F357-H711 AromaticContact CZ-ND1 3.61Å; F357-H711 AromaticContact CZ-NE2 3.66Å
358	L	93.8	Very high	95.1	Very high	48 Å²	48	52.9 Å²	52.9	25%	0.251	26%	0.26	S	S	.	.	S	Bend	trans	-90.7	-2.2	-170	-68.5	178.4	0	0	0	114.6	V301 F305 V350 R351 K355	V301-L358 HydrophobicContact CG1-CD2 3.46Å; V301-L358 VanDerWaalsContact CG1-CD2 3.46Å; V301-L358 HydrophobicContact CG1-CG 4.15Å; F305-L358 HydrophobicContact CB-CD2 3.72Å; F305-L358 HydrophobicContact CD1-CD2 4.05Å; F305-L358 HydrophobicContact CG-CD2 4.19Å; V350-L358 HydrophobicContact CG1-CD1 4.15Å; V350-L358 HydrophobicContact CG1-CD2 3.93Å; V350-L358 HydrophobicContact CG1-CG 4.31Å; R351-L358 HydrophobicContact CG-CD1 4.13Å; K355-L358 PolarHBondContact O-N 2.9Å
359	R	90.4	Very high	95.2	Very high	130 Å²	130	52.4 Å²	52.4	49%	0.491	25%	0.25	S	C	.	.	S	Bend	trans	-122.7	163.2	-171.6	62.4	-179	169	164.6	2.6	111	H361	R359-H361 WeakPolarHBondContact CG-CE1 3.37Å; R359-H361 PolarHBondContact NE-CE1 2.94Å; R359-H361 PolarHBondContact O-CD2 3.39Å; R359-H361 PolarHBondContact O-NE2 3.18Å
360	E	92	Very high	95.3	Very high	137 Å²	137	51.4 Å²	51.4	64%	0.64	25%	0.246	S	C	*	.			trans	-73.1	138.1	163.8	-56.1	-152.5	131.8	0	0	109.5	K303	K303-E360 HydrophobicContact CD-CG 3.99Å; K303-E360 IonicContact NZ-OE1 2.66Å; K303-E360 PolarHBondContact NZ-OE1 2.86Å
361	H	97.2	Very high	95.3	Very high	20 Å²	20	56.2 Å²	56.2	9%	0.093	27%	0.268	C	S	.	.			trans	-108.6	169.8	176.9	-58.2	-68.7	0	0	0	110.6	A356 R359 F363 G364 S365 A367 Q368	A356-H361 PolarHBondContact O-CE1 3.22Å; A356-H361 PolarHBondContact O-NE2 3.39Å; R359-H361 WeakPolarHBondContact CG-CE1 3.37Å; R359-H361 PolarHBondContact NE-CE1 2.94Å; R359-H361 PolarHBondContact O-CD2 3.39Å; R359-H361 PolarHBondContact O-NE2 3.18Å; H361-F363 PolarHBondContact O-N 3.45Å; H361-G364 WeakPolarHBondContact O-CA 3.47Å; H361-G364 PolarHBondContact O-N 3.24Å; H361-S365 PolarHBondContact CD2-O 2.61Å; H361-A367 WeakPolarHBondContact CB-O 3.31Å; H361-Q368 VanDerWaalsContact CE1-CB 3.47Å; H361-Q368 WeakPolarHBondContact CE1-CB 3.21Å
362	R	97.9	Very high	95.4	Very high	54 Å²	54	54 Å²	54	20%	0.204	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-49.9	139.4	174.2	-174.5	179	69.6	167.3	4.6	110.9	G364 S365 E369 Q730 E919	R362-G364 PolarHBondContact O-N 3.38Å; R362-G364 VanDerWaalsContact O-N 3.16Å; R362-S365 PolarHBondContact O-N 2.76Å; R362-E369 WeakPolarHBondContact CB-OE1 3.41Å; R362-E369 IonicContact NE-OE1 3.64Å; R362-Q730 PolarHBondContact O-NE2 3.45Å; R362-E919 IonicContact CZ-OE1 2.79Å; R362-E919 IonicContact CZ-OE2 3.79Å; R362-E919 IonicContact NH1-OE1 3.6Å; R362-E919 PolarHBondContact NH1-OE1 3.26Å; R362-E919 IonicContact NH1-OE2 3.69Å; R362-E919 PolarHBondContact NH1-OE2 3.27Å; R362-E919 IonicContact NH2-OE1 3.29Å; R362-E919 IonicContact NH2-OE2 3.07Å; R362-E919 PolarHBondContact NH2-OE2 2.9Å
363	F	98.3	Very high	95.5	Very high	15 Å²	15	50.5 Å²	50.5	7%	0.066	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	64.1	5.5	-174	-41.2	-59.5	0	0	0	115.7	H361 S365 L732 S748 N751 A752 Q755 I917	H361-F363 PolarHBondContact O-N 3.45Å; F363-S365 VanDerWaalsContact C-N 3.29Å; F363-L732 HydrophobicContact CB-CD2 4.46Å; F363-L732 HydrophobicContact CD2-CD2 3.78Å; F363-S748 WeakPolarHBondContact O-CA 3.31Å; F363-N751 HydrophobicContact CB-CB 3.93Å; F363-N751 PolarHBondContact O-ND2 3.36Å; F363-A752 HydrophobicContact CB-CB 4.44Å; F363-A752 HydrophobicContact CD1-CB 4.05Å; F363-A752 HydrophobicContact CD2-CB 3.84Å; F363-A752 HydrophobicContact CE1-CB 4.23Å; F363-A752 HydrophobicContact CE2-CB 4Å; F363-A752 HydrophobicContact CG-CB 3.84Å; F363-A752 HydrophobicContact CZ-CB 4.2Å; F363-Q755 HydrophobicContact CD1-CB 4.29Å; F363-Q755 HydrophobicContact CD1-CG 4.29Å; F363-Q755 HydrophobicContact CE1-CB 3.78Å; F363-Q755 HydrophobicContact CE1-CG 4.19Å; F363-Q755 VanDerWaalsContact CE1-OE1 3.24Å; F363-I917 HydrophobicContact CE2-CD1 3.94Å; F363-I917 HydrophobicContact CE2-CG2 4.2Å; F363-I917 HydrophobicContact CZ-CD1 4.01Å
364	G	97.4	Very high	95.6	Very high	34 Å²	34	46.6 Å²	46.6	35%	0.351	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	74.7	18.9	-171.8	0	0	0	0	0	113.3	H361 R362	H361-G364 WeakPolarHBondContact O-CA 3.47Å; H361-G364 PolarHBondContact O-N 3.24Å; R362-G364 PolarHBondContact O-N 3.38Å; R362-G364 VanDerWaalsContact O-N 3.16Å
365	S	98.4	Very high	95.9	Very high	5 Å²	5	46.6 Å²	46.6	4%	0.035	23%	0.227	C	C	.	.			trans	-64.5	149.3	178.3	-178.1	0	0	0	0	112.2	H361 R362 F363 A367 V731 E746	H361-S365 PolarHBondContact CD2-O 2.61Å; R362-S365 PolarHBondContact O-N 2.76Å; F363-S365 VanDerWaalsContact C-N 3.29Å; S365-A367 PolarHBondContact O-N 3.25Å; S365-A367 PolarHBondContact OG-N 3.34Å; S365-A367 PolarHBondContact OG-O 3.28Å; S365-V731 PolarHBondContact OG-O 3.07Å; S365-E746 WeakPolarHBondContact CA-OE1 3.38Å
366	F	97.5	Very high	96.2	Very high	29 Å²	29	42 Å²	42	13%	0.127	21%	0.207	C	C	.	.	S	Bend	trans	-68.1	-19.3	166.6	81.6	-76.4	0	0	0	113.5	D679 R682 H683 V731 R733 E746	F366-D679 WeakPolarHBondContact CE2-O 3.48Å; F366-D679 VanDerWaalsContact CZ-O 3.31Å; F366-D679 WeakPolarHBondContact CZ-O 3.48Å; F366-R682 HydrophobicContact CE2-CG 4.43Å; F366-H683 HydrophobicContact CZ-CB 4.12Å; F366-V731 HydrophobicContact CE1-CG1 4.01Å; F366-V731 HydrophobicContact CZ-CG1 4.08Å; F366-R733 HydrophobicContact CD1-CG 3.93Å; F366-R733 HydrophobicContact CE1-CG 4.09Å; F366-E746 PolarHBondContact N-OE1 3.27Å
367	A	97.6	Very high	96.5	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.008	21%	0.209	C	C	.	.	S	Bend	trans	-106.6	139.7	-176.2	0	0	0	0	0	111	H361 S365 D679 Q730 V731	H361-A367 WeakPolarHBondContact CB-O 3.31Å; S365-A367 PolarHBondContact O-N 3.25Å; S365-A367 PolarHBondContact OG-N 3.34Å; S365-A367 PolarHBondContact OG-O 3.28Å; A367-D679 HydrophobicContact CB-CB 3.93Å; A367-Q730 PolarHBondContact O-NE2 2.78Å; A367-V731 HydrophobicContact CB-CB 4.01Å
368	Q	96.1	Very high	96.7	Very high	28 Å²	28	43.3 Å²	43.3	13%	0.131	21%	0.208	C	C	.	.			trans	-74.4	157.8	172.5	71	174.5	12.8	0	0	111	H361	H361-Q368 VanDerWaalsContact CE1-CB 3.47Å; H361-Q368 WeakPolarHBondContact CE1-CB 3.21Å
369	E	97.2	Very high	97	Very high	64 Å²	64	41.8 Å²	41.8	30%	0.299	20%	0.2	S	C	.	.			trans	-62.9	134	164.8	-64.5	139	-123.3	0	0	110.2	R362 K728 Q730	R362-E369 WeakPolarHBondContact CB-OE1 3.41Å; R362-E369 IonicContact NE-OE1 3.64Å; E369-K728 WeakPolarHBondContact OE2-CE 3.32Å; E369-K728 IonicContact OE2-NZ 3.1Å; E369-K728 PolarHBondContact OE2-NZ 2.71Å; E369-Q730 HydrophobicContact CG-CB 4.24Å; E369-Q730 HydrophobicContact CG-CG 4.24Å
370	Q	96.6	Very high	97.4	Very high	8 Å²	8	35.7 Å²	35.7	4%	0.037	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	128.9	176.9	-50.5	-66	-7.7	0	0	108.2	V373 R675 D679 K728 V729	Q370-V373 HydrophobicContact CB-CG2 3.49Å; Q370-V373 VanDerWaalsContact CB-CG2 3.49Å; Q370-R675 HydrophobicContact CB-CB 4.42Å; Q370-R675 HydrophobicContact CG-CB 3.88Å; Q370-R675 VanDerWaalsContact OE1-CD 3.31Å; Q370-D679 PolarHBondContact NE2-OD2 2.97Å; Q370-K728 CarbonylContact O-C 3.55Å; Q370-K728 WeakPolarHBondContact O-CA 3.29Å; Q370-V729 PolarHBondContact N-O 3.37Å; Q370-V729 PolarHBondContact O-N 3.49Å
371	E	95.9	Very high	97.7	Very high	101 Å²	101	29.1 Å²	29.1	47%	0.472	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	155.5	177.9	-58.4	-65.3	160.5	0	0	110.2	V373 K728	E371-V373 VanDerWaalsContact C-N 3.29Å; E371-V373 PolarHBondContact O-N 3.12Å; E371-K728 VanDerWaalsContact OE1-CD 3.3Å; E371-K728 WeakPolarHBondContact OE1-CD 3.37Å; E371-K728 WeakPolarHBondContact OE1-CE 3.38Å; E371-K728 IonicContact OE1-NZ 3.47Å; E371-K728 PolarHBondContact OE1-NZ 3.07Å
372	N	95.4	Very high	97.7	Very high	115 Å²	115	31.5 Å²	31.5	62%	0.615	16%	0.156	S	C	*	.	E	Extended strand (participates in β ladder)	trans	53.2	40.6	174.1	-56.9	-36.6	0	0	0	114.1	A727	N372-A727 PolarHBondContact N-O 3.17Å
373	V	97.4	Very high	97.8	Very high	6 Å²	6	31.8 Å²	31.8	4%	0.036	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	125.4	177.1	174.9	0	0	0	0	109.5	Q370 E371 A375 V672 H673 A727 V729	Q370-V373 HydrophobicContact CB-CG2 3.49Å; Q370-V373 VanDerWaalsContact CB-CG2 3.49Å; E371-V373 VanDerWaalsContact C-N 3.29Å; E371-V373 PolarHBondContact O-N 3.12Å; V373-A375 PolarHBondContact O-N 3.24Å; V373-V672 HydrophobicContact CG1-CB 4.29Å; V373-H673 WeakPolarHBondContact CG1-O 3.35Å; V373-A727 PolarHBondContact N-O 2.71Å; V373-A727 PolarHBondContact O-N 2.79Å; V373-V729 HydrophobicContact CB-CB 4.02Å; V373-V729 HydrophobicContact CB-CG2 3.79Å; V373-V729 HydrophobicContact CG1-CB 4.19Å; V373-V729 HydrophobicContact CG1-CG2 3.92Å; V373-V729 HydrophobicContact CG2-CB 4.23Å
374	P	97.8	Very high	97.8	Very high	16 Å²	16	31.1 Å²	31.1	10%	0.104	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	118.7	169.4	-19.9	30.2	0	0	0	110.5	H673 L717 C724 N726	P374-H673 HydrophobicContact CB-CB 4.17Å; P374-H673 HydrophobicContact CG-CB 4.28Å; P374-H673 PolarHBondContact O-N 3.24Å; P374-H673 PolarHBondContact O-ND1 2.7Å; P374-L717 HydrophobicContact CG-CD1 4.4Å; P374-C724 HydrophobicContact CB-CB 3.89Å; P374-N726 WeakPolarHBondContact CG-OD1 3.49Å
375	A	98.3	Very high	97.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	149.7	-179.7	0	0	0	0	0	111.3	V373 V671 V672 C724 V725 V729 Y938	V373-A375 PolarHBondContact O-N 3.24Å; A375-V671 VanDerWaalsContact CA-O 3.25Å; A375-V671 WeakPolarHBondContact CA-O 3.29Å; A375-V672 HydrophobicContact CB-CG1 4.3Å; A375-C724 CarbonylContact O-C 3.35Å; A375-C724 VanDerWaalsContact O-CA 3.27Å; A375-C724 WeakPolarHBondContact O-CA 3.24Å; A375-V725 PolarHBondContact N-O 2.86Å; A375-V725 PolarHBondContact O-N 3.03Å; A375-V729 HydrophobicContact CB-CG2 4.24Å; A375-Y938 HydrophobicContact CB-CD2 4.33Å; A375-Y938 HydrophobicContact CB-CE2 3.84Å
376	K	98.7	Very high	97.9	Very high	42 Å²	42	31.6 Å²	31.6	18%	0.183	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	144.8	173.2	169.1	179.7	-177.8	-174	0	109.8	Y378 D387 S670 V671 V721 P722	K376-Y378 HydrophobicContact CD-CE1 4.07Å; K376-Y378 HydrophobicContact CG-CE1 4.38Å; K376-D387 IonicContact NZ-OD2 3.65Å; K376-D387 PolarHBondContact NZ-OD2 2.96Å; K376-S670 CarbonylContact O-C 3.54Å; K376-S670 WeakPolarHBondContact O-CA 3.33Å; K376-V671 HydrophobicContact CB-CG1 3.74Å; K376-V671 HydrophobicContact CG-CG1 4.48Å; K376-V671 PolarHBondContact N-O 2.69Å; K376-V671 PolarHBondContact O-N 3.11Å; K376-V721 HydrophobicContact CD-CG1 3.92Å; K376-P722 WeakPolarHBondContact CD-O 3.24Å; K376-P722 PolarHBondContact NZ-O 3.11Å
377	W	98.8	Very high	97.9	Very high	56 Å²	56	30.9 Å²	30.9	21%	0.212	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	162.9	173.1	54	-100.9	0	0	0	111.2	V379 A669 I896 Y938 E941 L942 E945	W377-V379 HydrophobicContact CE3-CG2 3.92Å; W377-V379 HydrophobicContact CZ3-CB 4.41Å; W377-V379 HydrophobicContact CZ3-CG2 3.73Å; W377-A669 CarbonylContact C-O 3.55Å; W377-A669 WeakPolarHBondContact CA-O 3.49Å; W377-I896 HydrophobicContact CB-CD1 4.19Å; W377-Y938 HydrophobicContact CB-CE1 4.17Å; W377-Y938 HydrophobicContact CB-CE2 4.35Å; W377-Y938 WeakPolarHBondContact CB-OH 3.37Å; W377-Y938 AromaticContact CD1-CE1 3.96Å; W377-Y938 AromaticContact CD1-CE2 3.93Å; W377-Y938 AromaticContact CD1-CZ 3.87Å; W377-Y938 HydrophobicContact CG-CE1 4.46Å; W377-E941 HydrophobicContact CZ2-CB 4.16Å; W377-L942 HydrophobicContact CB-CD1 4.01Å; W377-L942 HydrophobicContact CB-CD2 4.17Å; W377-L942 HydrophobicContact CB-CG 4.48Å; W377-L942 HydrophobicContact CD2-CB 3.96Å; W377-L942 HydrophobicContact CD2-CD1 3.65Å; W377-L942 HydrophobicContact CD2-CG 4.33Å; W377-L942 HydrophobicContact CE3-CD1 3.64Å; W377-L942 HydrophobicContact CG-CB 3.87Å; W377-L942 HydrophobicContact CG-CD1 3.82Å; W377-L942 HydrophobicContact CG-CD2 4.32Å; W377-L942 HydrophobicContact CG-CG 4.2Å; W377-L942 HydrophobicContact CZ3-CD1 4.36Å; W377-E945 HydrophobicContact CH2-CB 3.47Å; W377-E945 VanDerWaalsContact CH2-CB 3.47Å; W377-E945 HydrophobicContact CH2-CG 3.62Å; W377-E945 HydrophobicContact CZ2-CB 4.22Å; W377-E945 HydrophobicContact CZ3-CB 3.94Å; W377-E945 HydrophobicContact CZ3-CG 3.78Å
378	Y	98.9	Very high	98	Very high	1 Å²	1	30.9 Å²	30.9	0%	0.004	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	132.9	173.1	-56.7	-84.8	0	0	0	110.1	K376 Y384 D387 F501 I668 A669 V671 V721	K376-Y378 HydrophobicContact CD-CE1 4.07Å; K376-Y378 HydrophobicContact CG-CE1 4.38Å; Y378-Y384 HydrophobicContact CD2-CD2 4.01Å; Y378-Y384 HydrophobicContact CE2-CD2 4.33Å; Y378-Y384 HydrophobicContact CG-CD2 4.37Å; Y378-D387 HydrophobicContact CE1-CB 4.11Å; Y378-D387 VanDerWaalsContact CE1-OD2 3.22Å; Y378-D387 WeakPolarHBondContact CE1-OD2 3.48Å; Y378-D387 WeakPolarHBondContact OH-CB 3.39Å; Y378-D387 PolarHBondContact OH-OD2 2.66Å; Y378-F501 HydrophobicContact CE2-CD1 4.21Å; Y378-F501 HydrophobicContact CE2-CE1 4.2Å; Y378-I668 WeakPolarHBondContact O-CA 3.36Å; Y378-A669 HydrophobicContact CD2-CB 4.22Å; Y378-A669 PolarHBondContact N-O 2.71Å; Y378-A669 PolarHBondContact O-N 2.99Å; Y378-A669 VanDerWaalsContact O-N 3.13Å; Y378-V671 HydrophobicContact CE2-CB 4.03Å; Y378-V671 HydrophobicContact CE2-CG1 3.85Å; Y378-V671 VanDerWaalsContact OH-CG1 3.29Å; Y378-V671 WeakPolarHBondContact OH-CG1 3.14Å; Y378-V721 WeakPolarHBondContact OH-CG1 3.33Å
379	V	98.8	Very high	98.1	Very high	15 Å²	15	29.5 Å²	29.5	9%	0.091	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	121.5	165.2	-178.8	0	0	0	0	107.4	W377 I668 L942 E945	W377-V379 HydrophobicContact CE3-CG2 3.92Å; W377-V379 HydrophobicContact CZ3-CB 4.41Å; W377-V379 HydrophobicContact CZ3-CG2 3.73Å; V379-I668 HydrophobicContact CB-CD1 4.24Å; V379-I668 HydrophobicContact CG1-CD1 4.25Å; V379-I668 HydrophobicContact CG2-CD1 3.82Å; V379-L942 HydrophobicContact CG2-CD1 3.84Å; V379-E945 HydrophobicContact CB-CG 4.37Å; V379-E945 HydrophobicContact CG2-CB 4.4Å; V379-E945 HydrophobicContact CG2-CG 3.98Å
380	N	98.7	Very high	98.2	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.011	14%	0.143	C	C	.	.	S	Bend	trans	68.9	171.7	-174.7	-53.8	-37.3	0	0	0	115.5	D513 D514 H517 H666 D667	N380-D513 WeakPolarHBondContact CB-O 3.38Å; N380-D514 PolarHBondContact ND2-O 2.79Å; N380-H517 PolarHBondContact ND2-CE1 2.95Å; N380-H517 PolarHBondContact ND2-NE2 3.41Å; N380-H517 PolarHBondContact OD1-CE1 2.92Å; N380-H517 VanDerWaalsContact OD1-CE1 3.26Å; N380-H666 WeakPolarHBondContact OD1-CA 3.45Å; N380-H666 PolarHBondContact OD1-ND1 2.7Å; N380-D667 WeakPolarHBondContact CA-O 3.48Å; N380-D667 PolarHBondContact N-O 3.39Å
381	G	98.4	Very high	98.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-77.4	-22	-172.5	0	0	0	0	0	115.8	M385 D513	G381-M385 VanDerWaalsContact O-CB 3.28Å; G381-M385 WeakPolarHBondContact O-CB 3.44Å; G381-M385 VanDerWaalsContact O-CG 3.23Å; G381-M385 WeakPolarHBondContact O-CG 3.42Å; G381-M385 PolarHBondContact O-N 3.23Å; G381-D513 PolarHBondContact N-O 2.82Å
382	K	98.5	Very high	98.4	Very high	69 Å²	69	23.6 Å²	23.6	30%	0.3	12%	0.119	S	C	.	.	H	α-helix	trans	-58.5	-64	-172.6	176.8	177.3	175.3	-179.4	0	113.2	Y384 M385 E386 W512 D513 D514	K382-Y384 VanDerWaalsContact C-N 3.34Å; K382-M385 PolarHBondContact O-N 3.47Å; K382-E386 WeakPolarHBondContact CE-OE1 3.45Å; K382-E386 VanDerWaalsContact O-CG 3.32Å; K382-E386 WeakPolarHBondContact O-CG 3.3Å; K382-E386 PolarHBondContact O-N 2.95Å; K382-W512 HydrophobicContact CB-CZ2 4.07Å; K382-W512 HydrophobicContact CD-CZ2 4.04Å; K382-W512 HydrophobicContact CG-CZ2 3.87Å; K382-D513 WeakPolarHBondContact CB-O 3.28Å; K382-D513 PolarHBondContact N-O 3.43Å; K382-D514 HydrophobicContact CB-CB 4.01Å; K382-D514 HydrophobicContact CD-CB 3.7Å; K382-D514 HydrophobicContact CG-CB 4.49Å
383	T	98.1	Very high	98.5	Very high	60 Å²	60	19.8 Å²	19.8	37%	0.368	10%	0.097	S	C	.	.	H	α-helix	trans	-71	-32.7	-176.1	49.8	0	0	0	0	111.8	E386 D387	T383-E386 PolarHBondContact O-N 2.92Å; T383-D387 PolarHBondContact O-N 2.91Å
384	Y	98.8	Very high	98.5	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.008	11%	0.114	C	C	.	.	H	α-helix	trans	-57.1	-53.1	171.2	168.2	-103.3	0	0	0	111.8	Y378 K382 E386 D387 V388 F501 I505 L507 A669	Y378-Y384 HydrophobicContact CD2-CD2 4.01Å; Y378-Y384 HydrophobicContact CE2-CD2 4.33Å; Y378-Y384 HydrophobicContact CG-CD2 4.37Å; K382-Y384 VanDerWaalsContact C-N 3.34Å; Y384-E386 VanDerWaalsContact C-N 3.34Å; Y384-E386 PolarHBondContact O-N 2.73Å; Y384-D387 PolarHBondContact O-N 3.45Å; Y384-V388 HydrophobicContact CD2-CG2 4.2Å; Y384-V388 HydrophobicContact CE1-CG2 4.19Å; Y384-V388 HydrophobicContact CE2-CG2 3.84Å; Y384-V388 WeakPolarHBondContact O-CB 3.49Å; Y384-V388 VanDerWaalsContact O-CG2 3.26Å; Y384-V388 WeakPolarHBondContact O-CG2 3.32Å; Y384-V388 PolarHBondContact O-N 3.08Å; Y384-F501 HydrophobicContact CD2-CD1 4.06Å; Y384-F501 HydrophobicContact CE2-CB 3.94Å; Y384-F501 AromaticContact CE2-CD1 3.82Å; Y384-F501 HydrophobicContact CE2-CD1 3.82Å; Y384-F501 HydrophobicContact CE2-CG 4.26Å; Y384-I505 HydrophobicContact CD1-CB 3.93Å; Y384-I505 HydrophobicContact CD1-CD1 3.9Å; Y384-I505 HydrophobicContact CD1-CG2 3.66Å; Y384-I505 HydrophobicContact CE1-CB 3.71Å; Y384-I505 HydrophobicContact CE1-CG2 3.57Å; Y384-I505 HydrophobicContact CG-CD1 3.98Å; Y384-I505 PolarHBondContact OH-O 2.84Å; Y384-L507 HydrophobicContact CE1-CD2 4.42Å; Y384-A669 HydrophobicContact CD2-CB 3.5Å; Y384-A669 HydrophobicContact CE2-CB 3.72Å; Y384-A669 HydrophobicContact CG-CB 4.14Å
385	M	98.8	Very high	98.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-69.4	-32.6	-178.3	-69.2	-173	-173.2	0	0	112	G381 K382 A389 L412 I505 R511 W512	G381-M385 VanDerWaalsContact O-CB 3.28Å; G381-M385 WeakPolarHBondContact O-CB 3.44Å; G381-M385 VanDerWaalsContact O-CG 3.23Å; G381-M385 WeakPolarHBondContact O-CG 3.42Å; G381-M385 PolarHBondContact O-N 3.23Å; K382-M385 PolarHBondContact O-N 3.47Å; M385-A389 WeakPolarHBondContact O-CB 3.27Å; M385-A389 PolarHBondContact O-N 3.23Å; M385-L412 CarbonylContact C-O 3.58Å; M385-L412 HydrophobicContact CB-CB 4.21Å; M385-L412 HydrophobicContact CB-CD2 4.22Å; M385-L412 VanDerWaalsContact CB-O 3.26Å; M385-L412 WeakPolarHBondContact CB-O 3.49Å; M385-L412 HydrophobicContact CG-CD2 4.28Å; M385-L412 HydrophobicContact SD-CD2 4.3Å; M385-I505 HydrophobicContact CE-CG2 3.97Å; M385-R511 HydrophobicContact CE-CB 3.69Å; M385-W512 HydrophobicContact CE-CB 4.21Å; M385-W512 HydrophobicContact SD-CB 3.86Å; M385-W512 HydrophobicContact SD-CG 4.21Å
386	E	98.7	Very high	98.4	Very high	49 Å²	49	27.8 Å²	27.8	23%	0.229	13%	0.131	C	C	.	.	H	α-helix	trans	-60	-50.9	172.3	-75.9	167	179.9	0	0	111.6	K382 T383 Y384 A389 D390 K413	K382-E386 WeakPolarHBondContact CE-OE1 3.45Å; K382-E386 VanDerWaalsContact O-CG 3.32Å; K382-E386 WeakPolarHBondContact O-CG 3.3Å; K382-E386 PolarHBondContact O-N 2.95Å; T383-E386 PolarHBondContact O-N 2.92Å; Y384-E386 VanDerWaalsContact C-N 3.34Å; Y384-E386 PolarHBondContact O-N 2.73Å; E386-A389 WeakPolarHBondContact O-CB 3.4Å; E386-A389 PolarHBondContact O-N 2.79Å; E386-D390 PolarHBondContact O-N 3.03Å; E386-D390 VanDerWaalsContact O-N 3.07Å; E386-K413 HydrophobicContact CG-CD 4.38Å; E386-K413 HydrophobicContact CG-CG 4.03Å; E386-K413 WeakPolarHBondContact O-CE 3.28Å
387	D	98.9	Very high	98.3	Very high	14 Å²	14	26.6 Å²	26.6	8%	0.075	13%	0.126	C	C	.	.	H	α-helix	trans	-70.4	-33.4	-179.7	-76.9	-8.7	0	0	0	112.4	K376 Y378 T383 Y384 A389 D390 A391 F501 V721	K376-D387 IonicContact NZ-OD2 3.65Å; K376-D387 PolarHBondContact NZ-OD2 2.96Å; Y378-D387 HydrophobicContact CE1-CB 4.11Å; Y378-D387 VanDerWaalsContact CE1-OD2 3.22Å; Y378-D387 WeakPolarHBondContact CE1-OD2 3.48Å; Y378-D387 WeakPolarHBondContact OH-CB 3.39Å; Y378-D387 PolarHBondContact OH-OD2 2.66Å; T383-D387 PolarHBondContact O-N 2.91Å; Y384-D387 PolarHBondContact O-N 3.45Å; D387-A389 VanDerWaalsContact C-N 3.33Å; D387-D390 PolarHBondContact O-N 2.96Å; D387-A391 WeakPolarHBondContact O-CB 3.32Å; D387-A391 PolarHBondContact O-N 2.98Å; D387-F501 HydrophobicContact CB-CE1 4.1Å; D387-F501 HydrophobicContact CB-CZ 4.29Å; D387-V721 HydrophobicContact CB-CG1 4.14Å; D387-V721 VanDerWaalsContact OD2-CG1 3.23Å; D387-V721 WeakPolarHBondContact OD2-CG1 3.28Å
388	V	98.9	Very high	98.3	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-61.3	-43.5	169.8	168.1	0	0	0	0	110.3	Y384 D390 A391 L392 L412 V493 F501 L507	Y384-V388 HydrophobicContact CD2-CG2 4.2Å; Y384-V388 HydrophobicContact CE1-CG2 4.19Å; Y384-V388 HydrophobicContact CE2-CG2 3.84Å; Y384-V388 WeakPolarHBondContact O-CB 3.49Å; Y384-V388 VanDerWaalsContact O-CG2 3.26Å; Y384-V388 WeakPolarHBondContact O-CG2 3.32Å; Y384-V388 PolarHBondContact O-N 3.08Å; V388-D390 PolarHBondContact O-N 3.2Å; V388-A391 PolarHBondContact O-N 3.43Å; V388-L392 HydrophobicContact CG1-CD1 3.82Å; V388-L392 HydrophobicContact CG1-CG 4.2Å; V388-L392 WeakPolarHBondContact O-CB 3.33Å; V388-L392 WeakPolarHBondContact O-CG 3.26Å; V388-L392 PolarHBondContact O-N 2.9Å; V388-L412 HydrophobicContact CG1-CD1 4.35Å; V388-V493 HydrophobicContact CG1-CG1 4.39Å; V388-V493 HydrophobicContact CG1-CG2 4.5Å; V388-F501 HydrophobicContact CG2-CB 4.38Å; V388-F501 HydrophobicContact CG2-CD1 3.56Å; V388-F501 HydrophobicContact CG2-CD2 4Å; V388-F501 HydrophobicContact CG2-CE1 3.69Å; V388-F501 HydrophobicContact CG2-CE2 4.14Å; V388-F501 HydrophobicContact CG2-CG 3.72Å; V388-F501 HydrophobicContact CG2-CZ 3.99Å; V388-L507 HydrophobicContact CG1-CD2 4.4Å
389	A	98.8	Very high	98.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-62.4	-43	179.2	0	0	0	0	0	112.2	M385 E386 D387 L392 E393 L412 K413 W422 I427	M385-A389 WeakPolarHBondContact O-CB 3.27Å; M385-A389 PolarHBondContact O-N 3.23Å; E386-A389 WeakPolarHBondContact O-CB 3.4Å; E386-A389 PolarHBondContact O-N 2.79Å; D387-A389 VanDerWaalsContact C-N 3.33Å; A389-L392 PolarHBondContact O-N 2.8Å; A389-E393 PolarHBondContact O-N 3.33Å; A389-L412 HydrophobicContact CB-CB 3.75Å; A389-L412 HydrophobicContact CB-CD1 3.76Å; A389-L412 HydrophobicContact CB-CG 4.42Å; A389-K413 HydrophobicContact CB-CG 4.19Å; A389-W422 HydrophobicContact CB-CE3 3.78Å; A389-W422 HydrophobicContact CB-CZ3 3.99Å; A389-I427 HydrophobicContact CB-CD1 4.27Å
390	D	98.7	Very high	98.3	Very high	48 Å²	48	23.2 Å²	23.2	26%	0.257	11%	0.112	S	C	.	.	H	α-helix	trans	-67.6	-42.3	177.7	-70.1	-32.5	0	0	0	111.7	E386 D387 V388 L392 E393 E394 K413	E386-D390 PolarHBondContact O-N 3.03Å; E386-D390 VanDerWaalsContact O-N 3.07Å; D387-D390 PolarHBondContact O-N 2.96Å; V388-D390 PolarHBondContact O-N 3.2Å; D390-L392 PolarHBondContact O-N 3.37Å; D390-E393 PolarHBondContact O-N 3.45Å; D390-E394 PolarHBondContact O-N 3.25Å; D390-K413 WeakPolarHBondContact OD1-CE 3.48Å; D390-K413 IonicContact OD1-NZ 3.59Å; D390-K413 PolarHBondContact OD1-NZ 3.41Å; D390-K413 IonicContact OD2-NZ 3.92Å; D390-K413 PolarHBondContact OD2-NZ 3.02Å
391	A	98.7	Very high	98.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-62.5	-40.7	174.7	0	0	0	0	0	112.5	D387 V388 E393 E394 A395 I495 F501 Y719	D387-A391 WeakPolarHBondContact O-CB 3.32Å; D387-A391 PolarHBondContact O-N 2.98Å; V388-A391 PolarHBondContact O-N 3.43Å; A391-E393 VanDerWaalsContact C-N 3.34Å; A391-E394 PolarHBondContact O-N 2.82Å; A391-A395 PolarHBondContact O-N 3.17Å; A391-I495 HydrophobicContact CB-CD1 3.75Å; A391-I495 HydrophobicContact CB-CG1 4.06Å; A391-F501 HydrophobicContact CB-CE2 3.68Å; A391-F501 HydrophobicContact CB-CZ 3.98Å; A391-Y719 HydrophobicContact CB-CD1 4.35Å; A391-Y719 HydrophobicContact CB-CE1 3.76Å
392	L	98.6	Very high	98.3	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-63.5	-40.2	174.7	-71.9	171.4	0	0	0	111.6	V388 A389 D390 E394 A395 I399 L412 L424 I427 L428 K431 V493	V388-L392 HydrophobicContact CG1-CD1 3.82Å; V388-L392 HydrophobicContact CG1-CG 4.2Å; V388-L392 WeakPolarHBondContact O-CB 3.33Å; V388-L392 WeakPolarHBondContact O-CG 3.26Å; V388-L392 PolarHBondContact O-N 2.9Å; A389-L392 PolarHBondContact O-N 2.8Å; D390-L392 PolarHBondContact O-N 3.37Å; L392-E394 PolarHBondContact O-N 3.39Å; L392-A395 WeakPolarHBondContact O-CB 3.39Å; L392-A395 PolarHBondContact O-N 3.27Å; L392-I399 HydrophobicContact CD2-CB 4.49Å; L392-I399 HydrophobicContact CD2-CD1 3.77Å; L392-I399 HydrophobicContact CD2-CG1 4.07Å; L392-I399 HydrophobicContact CD2-CG2 3.59Å; L392-L412 HydrophobicContact CD1-CD1 3.96Å; L392-L424 HydrophobicContact CD1-CD1 4.07Å; L392-I427 HydrophobicContact CB-CG2 3.72Å; L392-I427 HydrophobicContact CD1-CG2 4.39Å; L392-L428 HydrophobicContact CD2-CD2 4.23Å; L392-K431 VanDerWaalsContact O-CD 3.25Å; L392-K431 WeakPolarHBondContact O-CD 3.16Å; L392-K431 VanDerWaalsContact O-CE 3.26Å; L392-K431 WeakPolarHBondContact O-CE 3.44Å; L392-K431 WeakPolarHBondContact O-CG 3.42Å; L392-V493 HydrophobicContact CD2-CG1 4.23Å
393	E	97.7	Very high	98.3	Very high	35 Å²	35	20 Å²	20	16%	0.164	10%	0.098	C	C	.	.	H	α-helix	trans	-63.1	-33.9	176.4	-167.9	70.7	172.9	0	0	111.3	A389 D390 A391 R421 R430 K431	A389-E393 PolarHBondContact O-N 3.33Å; D390-E393 PolarHBondContact O-N 3.45Å; A391-E393 VanDerWaalsContact C-N 3.34Å; E393-R421 IonicContact OE1-CZ 3.48Å; E393-R421 IonicContact OE1-NH1 3.57Å; E393-R421 IonicContact OE1-NH2 2.8Å; E393-R421 PolarHBondContact OE1-NH2 3.3Å; E393-R430 WeakPolarHBondContact OE2-CD 3.3Å; E393-R430 IonicContact OE2-NE 3.75Å; E393-R430 PolarHBondContact OE2-NE 3.29Å; E393-K431 WeakPolarHBondContact O-CE 3.27Å; E393-K431 PolarHBondContact O-NZ 3.29Å
394	E	97.9	Very high	98.3	Very high	84 Å²	84	19.5 Å²	19.5	39%	0.393	9%	0.089	S	C	.	.	H	α-helix	trans	-79.7	-18.1	179.2	-74.5	-52.7	145.2	0	0	115.7	D390 A391 L392 K396 Y719	D390-E394 PolarHBondContact O-N 3.25Å; A391-E394 PolarHBondContact O-N 2.82Å; L392-E394 PolarHBondContact O-N 3.39Å; E394-K396 VanDerWaalsContact O-CD 3.28Å; E394-K396 WeakPolarHBondContact O-CD 3.4Å; E394-K396 WeakPolarHBondContact O-CE 3.13Å; E394-K396 WeakPolarHBondContact O-CG 3.42Å; E394-K396 PolarHBondContact O-N 2.94Å; E394-K396 PolarHBondContact O-NZ 3.5Å; E394-K396 IonicContact OE2-NZ 2.76Å; E394-K396 PolarHBondContact OE2-NZ 3.14Å; E394-Y719 HydrophobicContact CB-CD2 4.18Å; E394-Y719 HydrophobicContact CB-CG 4.11Å; E394-Y719 HydrophobicContact CG-CD2 3.72Å; E394-Y719 HydrophobicContact CG-CE2 4.03Å; E394-Y719 HydrophobicContact CG-CG 4.18Å
395	A	97.7	Very high	98.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.09	C	C	.	.			trans	-50.8	135.9	-177.4	0	0	0	0	0	113.5	A391 L392 I399 K431 V438 I495	A391-A395 PolarHBondContact O-N 3.17Å; L392-A395 WeakPolarHBondContact O-CB 3.39Å; L392-A395 PolarHBondContact O-N 3.27Å; A395-I399 HydrophobicContact CB-CD1 3.75Å; A395-I399 HydrophobicContact CB-CG1 3.67Å; A395-K431 WeakPolarHBondContact O-CE 3.24Å; A395-K431 PolarHBondContact O-NZ 2.75Å; A395-V438 HydrophobicContact CB-CG1 4.25Å; A395-V438 HydrophobicContact CB-CG2 4.5Å; A395-V438 WeakPolarHBondContact O-CG2 3.35Å; A395-I495 HydrophobicContact CB-CG2 3.61Å
396	K	95.8	Very high	98.3	Very high	107 Å²	107	19.7 Å²	19.7	47%	0.465	9%	0.09	S	C	.	.	S	Bend	trans	-118	-22.1	-179.8	-52.9	-56.6	-177.1	-135.2	0	113.8	E394 D496	E394-K396 VanDerWaalsContact O-CD 3.28Å; E394-K396 WeakPolarHBondContact O-CD 3.4Å; E394-K396 WeakPolarHBondContact O-CE 3.13Å; E394-K396 WeakPolarHBondContact O-CG 3.42Å; E394-K396 PolarHBondContact O-N 2.94Å; E394-K396 PolarHBondContact O-NZ 3.5Å; E394-K396 IonicContact OE2-NZ 2.76Å; E394-K396 PolarHBondContact OE2-NZ 3.14Å; K396-D496 PolarHBondContact N-OD1 3.27Å; K396-D496 PolarHBondContact N-OD2 3.33Å
397	E	96.1	Very high	98.3	Very high	16 Å²	16	17.5 Å²	17.5	8%	0.075	8%	0.08	C	C	.	.	S	Bend	trans	-130.1	-55	-171.4	-65	172.3	145.9	0	0	112.1	F68 R439 D496 K709	F68-E397 WeakPolarHBondContact CB-OE1 3.32Å; F68-E397 PolarHBondContact N-OE1 3.32Å; E397-R439 PolarHBondContact O-N 2.88Å; E397-D496 WeakPolarHBondContact CA-OD1 3.28Å; E397-D496 PolarHBondContact N-OD1 3Å; E397-K709 IonicContact OE2-NZ 3.4Å; E397-K709 PolarHBondContact OE2-NZ 3.42Å
398	E	98.5	Very high	98.3	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.005	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	138.5	-169.4	-60.7	-174.7	122.6	0	0	113.1	F68 Y72 F400 R439 D496 Q497	F68-E398 VanDerWaalsContact CE1-CD 3.47Å; F68-E398 HydrophobicContact CE1-CG 4.45Å; F68-E398 VanDerWaalsContact CE1-OE2 3.24Å; F68-E398 WeakPolarHBondContact CE1-OE2 3.25Å; Y72-E398 HydrophobicContact CE2-CG 4.4Å; Y72-E398 PolarHBondContact OH-OE1 2.86Å; E398-F400 HydrophobicContact CB-CD1 4.48Å; E398-F400 HydrophobicContact CB-CE1 3.83Å; E398-F400 HydrophobicContact CB-CZ 4.18Å; E398-F400 HydrophobicContact CG-CE1 4.29Å; E398-F400 WeakPolarHBondContact OE2-CZ 3.5Å; E398-R439 CarbonylContact C-O 3.53Å; E398-R439 VanDerWaalsContact CA-O 3.32Å; E398-R439 WeakPolarHBondContact CA-O 3.21Å; E398-D496 PolarHBondContact N-OD1 3.29Å; E398-D496 PolarHBondContact O-N 2.83Å; E398-Q497 PolarHBondContact OE2-NE2 2.93Å
399	I	98.9	Very high	98.2	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	122.1	167.1	-65.3	163.3	0	0	0	108	L392 A395 I401 L428 K431 V438 R439 I440 F441 V494	L392-I399 HydrophobicContact CD2-CB 4.49Å; L392-I399 HydrophobicContact CD2-CD1 3.77Å; L392-I399 HydrophobicContact CD2-CG1 4.07Å; L392-I399 HydrophobicContact CD2-CG2 3.59Å; A395-I399 HydrophobicContact CB-CD1 3.75Å; A395-I399 HydrophobicContact CB-CG1 3.67Å; I399-I401 HydrophobicContact CG2-CD1 4Å; I399-I401 HydrophobicContact CG2-CG1 3.9Å; I399-L428 HydrophobicContact CD1-CD2 4.4Å; I399-L428 HydrophobicContact CG2-CD2 4.45Å; I399-K431 HydrophobicContact CD1-CB 4.21Å; I399-K431 HydrophobicContact CD1-CG 4.31Å; I399-V438 HydrophobicContact CD1-CG1 3.84Å; I399-V438 HydrophobicContact CG1-CG1 3.9Å; I399-R439 PolarHBondContact N-O 2.81Å; I399-I440 HydrophobicContact CB-CG1 4.24Å; I399-I440 HydrophobicContact CB-CG2 4.19Å; I399-I440 HydrophobicContact CD1-CD1 4.11Å; I399-I440 HydrophobicContact CD1-CG1 4.21Å; I399-I440 HydrophobicContact CG2-CG2 4.19Å; I399-I440 WeakPolarHBondContact O-CA 3.49Å; I399-F441 PolarHBondContact O-N 3Å; I399-V494 CarbonylContact C-O 3.57Å; I399-V494 WeakPolarHBondContact CA-O 3.4Å
400	F	98.9	Very high	98.2	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	132.1	172.6	-52.1	-26.7	0	0	0	110	E398 F441 V493 V494 Q497 A681 F684 I685 L706	E398-F400 HydrophobicContact CB-CD1 4.48Å; E398-F400 HydrophobicContact CB-CE1 3.83Å; E398-F400 HydrophobicContact CB-CZ 4.18Å; E398-F400 HydrophobicContact CG-CE1 4.29Å; E398-F400 WeakPolarHBondContact OE2-CZ 3.5Å; F400-F441 CarbonylContact C-O 3.42Å; F400-F441 WeakPolarHBondContact CA-O 3.37Å; F400-F441 HydrophobicContact CD1-CB 4.07Å; F400-F441 AromaticContact CD1-CD2 3.71Å; F400-F441 HydrophobicContact CD1-CD2 3.71Å; F400-F441 HydrophobicContact CD1-CG 4.34Å; F400-F441 AromaticContact CE1-CD2 3.52Å; F400-F441 HydrophobicContact CE1-CD2 3.52Å; F400-F441 HydrophobicContact CE1-CE2 4.09Å; F400-F441 HydrophobicContact CE1-CG 4.42Å; F400-V493 CarbonylContact O-C 3.5Å; F400-V493 WeakPolarHBondContact O-CA 3.33Å; F400-V494 HydrophobicContact CB-CB 4.06Å; F400-V494 HydrophobicContact CD2-CB 4.12Å; F400-V494 HydrophobicContact CD2-CG1 4.35Å; F400-V494 HydrophobicContact CG-CB 4.46Å; F400-V494 PolarHBondContact N-O 2.88Å; F400-V494 PolarHBondContact O-N 2.84Å; F400-Q497 HydrophobicContact CE2-CG 3.74Å; F400-Q497 HydrophobicContact CZ-CG 4.1Å; F400-A681 HydrophobicContact CD2-CB 4.34Å; F400-A681 HydrophobicContact CE2-CB 4.17Å; F400-F684 HydrophobicContact CB-CD1 3.63Å; F400-F684 HydrophobicContact CB-CD2 3.91Å; F400-F684 HydrophobicContact CB-CE1 3.67Å; F400-F684 HydrophobicContact CB-CE2 3.95Å; F400-F684 HydrophobicContact CB-CG 3.75Å; F400-F684 HydrophobicContact CB-CZ 3.83Å; F400-F684 AromaticContact CD1-CD1 3.92Å; F400-F684 HydrophobicContact CD1-CD1 3.92Å; F400-F684 AromaticContact CD1-CE1 3.66Å; F400-F684 HydrophobicContact CD1-CE1 3.66Å; F400-F684 HydrophobicContact CD1-CZ 4.4Å; F400-F684 HydrophobicContact CD2-CB 4.23Å; F400-F684 AromaticContact CD2-CD1 3.58Å; F400-F684 HydrophobicContact CD2-CD1 3.58Å; F400-F684 HydrophobicContact CD2-CE1 4.19Å; F400-F684 HydrophobicContact CD2-CG 4.03Å; F400-F684 HydrophobicContact CE1-CD1 4.49Å; F400-F684 HydrophobicContact CE1-CE1 4.35Å; F400-F684 HydrophobicContact CE2-CD1 4.17Å; F400-F684 AromaticContact CG-CD1 3.43Å; F400-F684 HydrophobicContact CG-CD1 3.43Å; F400-F684 VanDerWaalsContact CG-CD1 3.43Å; F400-F684 AromaticContact CG-CE1 3.58Å; F400-F684 HydrophobicContact CG-CE1 3.58Å; F400-F684 AromaticContact CG-CG 3.99Å; F400-F684 HydrophobicContact CG-CG 3.99Å; F400-F684 HydrophobicContact CG-CZ 4.25Å; F400-I685 HydrophobicContact CE2-CD1 4.08Å; F400-I685 HydrophobicContact CE2-CG1 4.02Å; F400-I685 HydrophobicContact CZ-CD1 4.49Å; F400-I685 HydrophobicContact CZ-CG1 4.37Å; F400-L706 HydrophobicContact CE1-CD1 4.09Å; F400-L706 HydrophobicContact CZ-CD1 4.34Å
401	I	98.9	Very high	98.1	Very high	0 Å²	0	16 Å²	16	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	128	178.5	-57.6	174	0	0	0	109.5	I399 D403 L406 L428 F441 V442 M443 I492 V493 L507 F684	I399-I401 HydrophobicContact CG2-CD1 4Å; I399-I401 HydrophobicContact CG2-CG1 3.9Å; I401-D403 WeakPolarHBondContact CG2-OD2 3.47Å; I401-L406 HydrophobicContact CG2-CD1 3.91Å; I401-L428 HydrophobicContact CD1-CD1 4.33Å; I401-L428 HydrophobicContact CD1-CD2 4.17Å; I401-F441 PolarHBondContact N-O 3.25Å; I401-V442 HydrophobicContact CB-CG1 4.27Å; I401-V442 HydrophobicContact CB-CG2 4.24Å; I401-V442 HydrophobicContact CD1-CG2 4.42Å; I401-V442 HydrophobicContact CG2-CG1 4.39Å; I401-V442 CarbonylContact O-C 3.5Å; I401-V442 WeakPolarHBondContact O-CA 3.18Å; I401-M443 PolarHBondContact O-N 2.89Å; I401-I492 CarbonylContact C-O 3.21Å; I401-I492 WeakPolarHBondContact CA-O 3.35Å; I401-V493 HydrophobicContact CG1-CG1 4.35Å; I401-L507 HydrophobicContact CG2-CD1 4.45Å; I401-F684 WeakPolarHBondContact O-CE2 3.35Å
402	T	98.9	Very high	98.1	Very high	1 Å²	1	16 Å²	16	1%	0.006	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	137.3	160.6	71.5	0	0	0	0	109.3	M443 E490 K491 I492 F684	T402-M443 WeakPolarHBondContact CA-O 3.48Å; T402-M443 HydrophobicContact CG2-CB 4.26Å; T402-E490 HydrophobicContact CG2-CG 4.43Å; T402-E490 WeakPolarHBondContact OG1-CG 3.26Å; T402-E490 PolarHBondContact OG1-O 2.89Å; T402-K491 WeakPolarHBondContact O-CA 3.47Å; T402-I492 HydrophobicContact CG2-CD1 3.58Å; T402-I492 HydrophobicContact CG2-CG1 3.75Å; T402-I492 PolarHBondContact N-O 2.82Å; T402-I492 PolarHBondContact O-N 3.47Å; T402-I492 VanDerWaalsContact O-N 3.08Å; T402-I492 VanDerWaalsContact OG1-CG1 3.29Å; T402-I492 WeakPolarHBondContact OG1-CG1 3.38Å; T402-I492 PolarHBondContact OG1-N 2.85Å; T402-F684 HydrophobicContact CG2-CD2 3.47Å; T402-F684 VanDerWaalsContact CG2-CD2 3.47Å; T402-F684 HydrophobicContact CG2-CE2 3.72Å
403	D	98.7	Very high	98.1	Very high	3 Å²	3	18 Å²	18	2%	0.016	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	146.1	172.4	-80.2	-66.8	0	0	0	109.1	I401 W405 L406 M443 L444 Y445 D506 L507	I401-D403 WeakPolarHBondContact CG2-OD2 3.47Å; D403-W405 VanDerWaalsContact C-N 3.27Å; D403-W405 WeakPolarHBondContact CB-O 3.38Å; D403-L406 HydrophobicContact CB-CB 3.99Å; D403-L406 WeakPolarHBondContact OD2-CD1 3.21Å; D403-M443 PolarHBondContact N-O 2.88Å; D403-L444 HydrophobicContact CB-CD2 4.23Å; D403-Y445 PolarHBondContact O-N 3.02Å; D403-D506 VanDerWaalsContact OD1-CA 3.25Å; D403-D506 WeakPolarHBondContact OD1-CA 3.42Å; D403-L507 PolarHBondContact OD1-N 3.21Å
404	W	98.2	Very high	97.9	Very high	49 Å²	49	17.1 Å²	17.1	19%	0.186	8%	0.075	C	C	.	.	S	Bend	trans	-67.6	-38.9	164.3	178.5	82.2	0	0	0	109.3	Y445 L452 I454 H489 D506	W404-Y445 AromaticContact CD1-CD1 3.68Å; W404-Y445 HydrophobicContact CG-CD1 4.43Å; W404-Y445 AromaticContact NE1-CD1 3.47Å; W404-Y445 AromaticContact NE1-CE1 3.73Å; W404-L452 HydrophobicContact CZ2-CD1 4.05Å; W404-L452 HydrophobicContact CZ2-CD2 4.3Å; W404-I454 HydrophobicContact CE3-CG2 4.37Å; W404-I454 HydrophobicContact CH2-CG2 3.53Å; W404-I454 HydrophobicContact CZ2-CG2 4.24Å; W404-I454 HydrophobicContact CZ3-CG2 3.6Å; W404-I454 WeakPolarHBondContact O-CD1 3.48Å; W404-H489 AromaticContact CD1-CD2 3.82Å; W404-H489 AromaticContact CG-CD2 3.96Å; W404-D506 WeakPolarHBondContact CB-OD1 3.46Å; W404-D506 PolarHBondContact N-OD1 3.12Å
405	W	98.1	Very high	97.5	Very high	6 Å²	6	15.2 Å²	15.2	2%	0.023	7%	0.07	C	C	.	.	S	Bend	trans	-142.7	133	171.1	179.4	31.4	0	0	0	111.1	D403 I454 D506 A508 Y509 W644 L647	D403-W405 VanDerWaalsContact C-N 3.27Å; D403-W405 WeakPolarHBondContact CB-O 3.38Å; W405-I454 HydrophobicContact CB-CB 4.24Å; W405-I454 HydrophobicContact CB-CG2 4.11Å; W405-I454 HydrophobicContact CD2-CB 4.2Å; W405-I454 HydrophobicContact CD2-CG2 4.08Å; W405-I454 HydrophobicContact CE3-CG2 4.43Å; W405-I454 HydrophobicContact CG-CB 3.8Å; W405-I454 HydrophobicContact CG-CG2 3.92Å; W405-I454 PolarHBondContact NE1-O 3.27Å; W405-D506 PolarHBondContact N-OD1 3.36Å; W405-D506 WeakPolarHBondContact O-CB 3.39Å; W405-A508 HydrophobicContact CB-CB 4.45Å; W405-A508 HydrophobicContact CD2-CB 3.9Å; W405-A508 HydrophobicContact CE3-CB 3.79Å; W405-A508 HydrophobicContact CG-CB 4.22Å; W405-A508 HydrophobicContact CZ3-CB 4.33Å; W405-A508 WeakPolarHBondContact O-CB 3.43Å; W405-Y509 HydrophobicContact CH2-CD2 4.02Å; W405-Y509 AromaticContact CZ2-CD2 3.85Å; W405-Y509 HydrophobicContact CZ2-CD2 3.85Å; W405-W644 AromaticContact CH2-CD2 3.45Å; W405-W644 HydrophobicContact CH2-CD2 3.45Å; W405-W644 VanDerWaalsContact CH2-CD2 3.45Å; W405-W644 AromaticContact CH2-CE2 3.43Å; W405-W644 VanDerWaalsContact CH2-CE2 3.43Å; W405-W644 AromaticContact CH2-CE3 3.81Å; W405-W644 HydrophobicContact CH2-CE3 3.81Å; W405-W644 AromaticContact CH2-CG 3.82Å; W405-W644 HydrophobicContact CH2-CG 3.82Å; W405-W644 HydrophobicContact CH2-CH2 4.04Å; W405-W644 AromaticContact CH2-CZ2 3.69Å; W405-W644 HydrophobicContact CH2-CZ2 3.69Å; W405-W644 HydrophobicContact CH2-CZ3 4.13Å; W405-W644 AromaticContact CH2-NE1 3.84Å; W405-W644 AromaticContact CZ3-CD2 3.85Å; W405-W644 HydrophobicContact CZ3-CD2 3.85Å; W405-W644 AromaticContact CZ3-CE2 3.75Å; W405-W644 AromaticContact CZ3-CE3 3.77Å; W405-W644 HydrophobicContact CZ3-CE3 3.77Å; W405-W644 AromaticContact CZ3-CH2 3.45Å; W405-W644 HydrophobicContact CZ3-CH2 3.45Å; W405-W644 VanDerWaalsContact CZ3-CH2 3.45Å; W405-W644 AromaticContact CZ3-CZ2 3.51Å; W405-W644 HydrophobicContact CZ3-CZ2 3.51Å; W405-W644 AromaticContact CZ3-CZ3 3.62Å; W405-W644 HydrophobicContact CZ3-CZ3 3.62Å; W405-L647 HydrophobicContact CH2-CD2 4.49Å; W405-L647 HydrophobicContact CZ2-CD1 3.83Å; W405-L647 HydrophobicContact CZ2-CD2 3.88Å
406	L	98.6	Very high	97	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.005	8%	0.08	C	C	.	.			trans	-123.1	127.2	176.8	-172.6	162.3	0	0	0	109.5	I401 D403 P408 L424 V442 L444 S459 L463 L507	I401-L406 HydrophobicContact CG2-CD1 3.91Å; D403-L406 HydrophobicContact CB-CB 3.99Å; D403-L406 WeakPolarHBondContact OD2-CD1 3.21Å; L406-P408 HydrophobicContact CD2-CG 4.09Å; L406-L424 HydrophobicContact CD2-CD2 4.03Å; L406-L424 HydrophobicContact CG-CD2 4.27Å; L406-V442 HydrophobicContact CD1-CG1 3.88Å; L406-L444 HydrophobicContact CB-CD2 3.56Å; L406-L444 HydrophobicContact CD1-CD2 4.09Å; L406-L444 HydrophobicContact CG-CD2 4.46Å; L406-S459 VanDerWaalsContact O-CB 3.29Å; L406-S459 WeakPolarHBondContact O-CB 3.24Å; L406-S459 PolarHBondContact O-OG 2.78Å; L406-L463 HydrophobicContact CD1-CD1 4.17Å; L406-L463 HydrophobicContact CD2-CD1 3.87Å; L406-L507 WeakPolarHBondContact CA-O 3.44Å
407	S	98.5	Very high	96.5	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.014	9%	0.089	C	C	.	.			trans	-106.5	105.6	175.8	-62.4	0	0	0	0	109.8	E409 I410 L507 Y509	S407-E409 PolarHBondContact O-N 3.09Å; S407-E409 VanDerWaalsContact O-N 3.12Å; S407-I410 WeakPolarHBondContact O-CG1 3.33Å; S407-I410 PolarHBondContact O-N 3.41Å; S407-L507 PolarHBondContact N-O 2.85Å; S407-Y509 WeakPolarHBondContact OG-CD2 3.07Å; S407-Y509 WeakPolarHBondContact OG-CE2 2.89Å; S407-Y509 PolarHBondContact OG-N 3.44Å
408	P	98.4	Very high	96.1	Very high	1 Å²	1	21 Å²	21	1%	0.006	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-29.3	-170	-25.1	33.6	0	0	0	114.7	L406 D425 T462 L463	L406-P408 HydrophobicContact CD2-CG 4.09Å; P408-D425 HydrophobicContact CB-CB 4.23Å; P408-D425 VanDerWaalsContact O-CB 3.29Å; P408-D425 WeakPolarHBondContact O-CB 3.31Å; P408-D425 PolarHBondContact O-N 3.28Å; P408-T462 HydrophobicContact CB-CG2 3.87Å; P408-T462 HydrophobicContact CG-CG2 4.03Å; P408-L463 HydrophobicContact CB-CD2 4.17Å; P408-L463 HydrophobicContact CG-CD2 4.45Å; P408-L463 HydrophobicContact CG-CG 4.29Å
409	E	98.1	Very high	95.7	Very high	11 Å²	11	23.1 Å²	23.1	5%	0.051	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	10.4	-170.3	-52.2	82.9	-177	0	0	114.3	S407 R423 Y458 Y509 P650 F651	S407-E409 PolarHBondContact O-N 3.09Å; S407-E409 VanDerWaalsContact O-N 3.12Å; E409-R423 WeakPolarHBondContact O-CD 3.28Å; E409-R423 VanDerWaalsContact O-CG 3.3Å; E409-R423 WeakPolarHBondContact O-CG 3.4Å; E409-Y458 WeakPolarHBondContact OE1-CE1 3.45Å; E409-Y458 PolarHBondContact OE1-OH 2.82Å; E409-Y509 PolarHBondContact OE2-OH 3.23Å; E409-Y509 VanDerWaalsContact OE2-OH 3.07Å; E409-P650 HydrophobicContact CB-CB 3.9Å; E409-P650 HydrophobicContact CB-CG 4.22Å; E409-P650 HydrophobicContact CG-CB 4.02Å; E409-P650 HydrophobicContact CG-CG 3.91Å; E409-F651 HydrophobicContact CB-CZ 4.2Å
410	I	98	Very high	95.5	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.015	15%	0.151	C	C	.	.			trans	-67.2	147.9	176.1	64.3	166.1	0	0	0	111.9	S407 L412 R423 L424 L507 Y509	S407-I410 WeakPolarHBondContact O-CG1 3.33Å; S407-I410 PolarHBondContact O-N 3.41Å; I410-L412 HydrophobicContact CD1-CD2 3.79Å; I410-L412 HydrophobicContact CG1-CD2 4.19Å; I410-R423 WeakPolarHBondContact O-CA 3.44Å; I410-R423 WeakPolarHBondContact O-CG 3.23Å; I410-L424 HydrophobicContact CD1-CD2 4.48Å; I410-L424 HydrophobicContact CG1-CB 4.05Å; I410-L424 HydrophobicContact CG1-CD2 4.23Å; I410-L424 PolarHBondContact O-N 3.21Å; I410-L507 VanDerWaalsContact CD1-C 3.43Å; I410-L507 HydrophobicContact CD1-CB 4.01Å; I410-L507 HydrophobicContact CD1-CD2 4.46Å; I410-Y509 HydrophobicContact CG2-CD1 3.65Å; I410-Y509 HydrophobicContact CG2-CE1 3.74Å; I410-Y509 HydrophobicContact CG2-CG 4.4Å
411	F	97.9	Very high	95.3	Very high	16 Å²	16	31.4 Å²	31.4	7%	0.07	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-93.5	125	169.4	-68.6	-85.7	0	0	0	110.2	R414 V416 R423 F651	F411-R414 HydrophobicContact CB-CG 4.37Å; F411-R414 PolarHBondContact O-NE 3.34Å; F411-R414 VanDerWaalsContact O-NE 3.11Å; F411-R414 PolarHBondContact O-NH2 3.2Å; F411-V416 HydrophobicContact CB-CG2 4.11Å; F411-V416 HydrophobicContact CD1-CB 4.48Å; F411-V416 HydrophobicContact CD1-CG1 3.99Å; F411-V416 HydrophobicContact CD1-CG2 3.63Å; F411-V416 HydrophobicContact CD2-CG2 3.79Å; F411-V416 HydrophobicContact CE1-CB 4.43Å; F411-V416 HydrophobicContact CE1-CG1 3.57Å; F411-V416 HydrophobicContact CE1-CG2 3.9Å; F411-V416 HydrophobicContact CE2-CG2 4.04Å; F411-V416 HydrophobicContact CG-CG2 3.57Å; F411-V416 HydrophobicContact CZ-CG1 3.98Å; F411-V416 HydrophobicContact CZ-CG2 4.1Å; F411-R423 HydrophobicContact CD1-CB 4.02Å; F411-R423 HydrophobicContact CD1-CG 4.25Å; F411-R423 HydrophobicContact CE1-CB 3.89Å; F411-R423 HydrophobicContact CE1-CG 4.1Å; F411-R423 HydrophobicContact CZ-CB 4.49Å; F411-R423 HydrophobicContact CZ-CG 4.25Å; F411-F651 HydrophobicContact CE2-CE1 4.05Å
412	L	98.4	Very high	95.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.172	C	C	.	.	S	Bend	trans	-82.8	-29.1	179.6	-59	-174.8	0	0	0	112.8	M385 V388 A389 L392 I410 W422 L424 I427 L507	M385-L412 CarbonylContact C-O 3.58Å; M385-L412 HydrophobicContact CB-CB 4.21Å; M385-L412 HydrophobicContact CB-CD2 4.22Å; M385-L412 VanDerWaalsContact CB-O 3.26Å; M385-L412 WeakPolarHBondContact CB-O 3.49Å; M385-L412 HydrophobicContact CG-CD2 4.28Å; M385-L412 HydrophobicContact SD-CD2 4.3Å; V388-L412 HydrophobicContact CG1-CD1 4.35Å; A389-L412 HydrophobicContact CB-CB 3.75Å; A389-L412 HydrophobicContact CB-CD1 3.76Å; A389-L412 HydrophobicContact CB-CG 4.42Å; L392-L412 HydrophobicContact CD1-CD1 3.96Å; I410-L412 HydrophobicContact CD1-CD2 3.79Å; I410-L412 HydrophobicContact CG1-CD2 4.19Å; L412-W422 PolarHBondContact N-O 3.42Å; L412-L424 HydrophobicContact CD1-CD1 4.3Å; L412-I427 HydrophobicContact CD1-CD1 3.79Å; L412-L507 HydrophobicContact CD2-CD2 4.04Å
413	K	97.3	Very high	95.2	Very high	42 Å²	42	34.3 Å²	34.3	18%	0.183	18%	0.178	C	C	.	.	S	Bend	trans	-116.6	137.1	174.1	-56.1	-158.9	178.1	-170.7	0	110.9	E386 A389 D390 W422	E386-K413 HydrophobicContact CG-CD 4.38Å; E386-K413 HydrophobicContact CG-CG 4.03Å; E386-K413 WeakPolarHBondContact O-CE 3.28Å; A389-K413 HydrophobicContact CB-CG 4.19Å; D390-K413 WeakPolarHBondContact OD1-CE 3.48Å; D390-K413 IonicContact OD1-NZ 3.59Å; D390-K413 PolarHBondContact OD1-NZ 3.41Å; D390-K413 IonicContact OD2-NZ 3.92Å; D390-K413 PolarHBondContact OD2-NZ 3.02Å; K413-W422 HydrophobicContact CB-CB 3.82Å; K413-W422 HydrophobicContact CB-CD2 4.4Å; K413-W422 HydrophobicContact CB-CG 3.76Å; K413-W422 HydrophobicContact CD-CD2 3.72Å; K413-W422 HydrophobicContact CD-CE3 4.16Å; K413-W422 HydrophobicContact CD-CG 3.99Å; K413-W422 HydrophobicContact CD-CH2 4.48Å; K413-W422 HydrophobicContact CD-CZ2 4.12Å; K413-W422 HydrophobicContact CG-CB 4.04Å; K413-W422 HydrophobicContact CG-CD2 3.93Å; K413-W422 HydrophobicContact CG-CE3 4.32Å; K413-W422 HydrophobicContact CG-CG 3.8Å
414	R	93.7	Very high	95.2	Very high	17 Å²	17	34.1 Å²	34.1	6%	0.064	18%	0.177	C	C	.	.	S	Bend	trans	-143.4	150	-173.6	-48.5	-167.6	-169.7	-177.3	-1.6	112.5	F411 W512 F630 W631 D635	F411-R414 HydrophobicContact CB-CG 4.37Å; F411-R414 PolarHBondContact O-NE 3.34Å; F411-R414 VanDerWaalsContact O-NE 3.11Å; F411-R414 PolarHBondContact O-NH2 3.2Å; R414-W512 HydrophobicContact CB-CH2 4.21Å; R414-W512 HydrophobicContact CB-CZ2 3.65Å; R414-W512 VanDerWaalsContact CD-CD2 3.43Å; R414-W512 VanDerWaalsContact CD-CE2 3.5Å; R414-W512 HydrophobicContact CG-CD2 4.19Å; R414-W512 HydrophobicContact CG-CG 4.49Å; R414-W512 HydrophobicContact CG-CZ2 4.08Å; R414-W512 VanDerWaalsContact NE-CG 3.3Å; R414-F630 HydrophobicContact CB-CD1 4.03Å; R414-F630 WeakPolarHBondContact CD-O 3.44Å; R414-F630 PolarHBondContact NH1-O 2.78Å; R414-W631 VanDerWaalsContact NH1-CD1 3.32Å; R414-D635 IonicContact CZ-OD2 2.71Å; R414-D635 IonicContact NH1-OD2 3.99Å; R414-D635 PolarHBondContact NH1-OD2 2.74Å; R414-D635 IonicContact NH2-OD1 2.99Å; R414-D635 IonicContact NH2-OD2 2.6Å; R414-D635 PolarHBondContact NH2-OD2 3.49Å
415	P	90.6	Very high	95.2	Very high	44 Å²	44	32.2 Å²	32.2	29%	0.286	17%	0.171	S	C	.	.	S	Bend	cis	-66.9	162.7	-1.4	27.8	-34.1	0	0	0	113.4	V417 T628 F630	P415-V417 HydrophobicContact CG-CG1 4.28Å; P415-V417 PolarHBondContact O-N 3.49Å; P415-T628 WeakPolarHBondContact CB-OG1 3.46Å; P415-F630 HydrophobicContact CB-CE1 4.4Å
416	V	87.3	Confident	95.2	Very high	33 Å²	33	33.1 Å²	33.1	20%	0.2	18%	0.177	C	C	.	.			trans	-75.2	96.4	-176.3	-176.3	0	0	0	0	109.8	F411 G419	F411-V416 HydrophobicContact CB-CG2 4.11Å; F411-V416 HydrophobicContact CD1-CB 4.48Å; F411-V416 HydrophobicContact CD1-CG1 3.99Å; F411-V416 HydrophobicContact CD1-CG2 3.63Å; F411-V416 HydrophobicContact CD2-CG2 3.79Å; F411-V416 HydrophobicContact CE1-CB 4.43Å; F411-V416 HydrophobicContact CE1-CG1 3.57Å; F411-V416 HydrophobicContact CE1-CG2 3.9Å; F411-V416 HydrophobicContact CE2-CG2 4.04Å; F411-V416 HydrophobicContact CG-CG2 3.57Å; F411-V416 HydrophobicContact CZ-CG1 3.98Å; F411-V416 HydrophobicContact CZ-CG2 4.1Å; V416-G419 VanDerWaalsContact CG1-O 3.24Å; V416-G419 WeakPolarHBondContact CG1-O 3.47Å
417	V	84.8	Confident	95.3	Very high	109 Å²	109	33 Å²	33	66%	0.661	18%	0.177	S	C	*	.			trans	-109.6	-26.5	-177.9	-67.6	0	0	0	0	113.9	P415	P415-V417 HydrophobicContact CG-CG1 4.28Å; P415-V417 PolarHBondContact O-N 3.49Å
418	E	87.1	Confident	95.3	Very high	103 Å²	103	33 Å²	33	48%	0.481	18%	0.176	S	C	.	.	S	Bend	trans	-103.2	35.6	-178.2	-68.6	173.4	84.7	0	0	112.2	N420 R421 W422	E418-N420 PolarHBondContact O-N 3.08Å; E418-R421 HydrophobicContact CB-CB 3.85Å; E418-R421 WeakPolarHBondContact O-CB 3.19Å; E418-R421 PolarHBondContact O-N 3.13Å; E418-R421 VanDerWaalsContact O-N 3.09Å; E418-R421 WeakPolarHBondContact OE1-CD 3.18Å; E418-R421 IonicContact OE1-NE 3.41Å; E418-W422 PolarHBondContact OE2-NE1 3.4Å
419	G	90.2	Very high	95.3	Very high	44 Å²	44	38.5 Å²	38.5	45%	0.454	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	53.8	-130.1	-174.8	0	0	0	0	0	112	V416 R421	V416-G419 VanDerWaalsContact CG1-O 3.24Å; V416-G419 WeakPolarHBondContact CG1-O 3.47Å; G419-R421 VanDerWaalsContact C-N 3.28Å; G419-R421 PolarHBondContact O-N 3.45Å
420	N	94.2	Very high	95.3	Very high	84 Å²	84	40.8 Å²	40.8	45%	0.449	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-84.9	10.1	-179.3	-67.2	-36.7	0	0	0	114.2	E418 W422 R423 C426	E418-N420 PolarHBondContact O-N 3.08Å; N420-W422 VanDerWaalsContact C-N 3.28Å; N420-W422 PolarHBondContact O-N 3.16Å; N420-R423 PolarHBondContact O-N 3.43Å; N420-R423 PolarHBondContact OD1-NH1 3.46Å; N420-C426 VanDerWaalsContact O-CB 3.26Å; N420-C426 WeakPolarHBondContact O-CB 3.28Å
421	R	96.2	Very high	95.3	Very high	90 Å²	90	41 Å²	41	34%	0.34	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-56.6	-40.3	-177.6	-176.9	178.1	173.7	66.2	16.3	112.4	E393 E418 G419 I427 R430	E393-R421 IonicContact OE1-CZ 3.48Å; E393-R421 IonicContact OE1-NH1 3.57Å; E393-R421 IonicContact OE1-NH2 2.8Å; E393-R421 PolarHBondContact OE1-NH2 3.3Å; E418-R421 HydrophobicContact CB-CB 3.85Å; E418-R421 WeakPolarHBondContact O-CB 3.19Å; E418-R421 PolarHBondContact O-N 3.13Å; E418-R421 VanDerWaalsContact O-N 3.09Å; E418-R421 WeakPolarHBondContact OE1-CD 3.18Å; E418-R421 IonicContact OE1-NE 3.41Å; G419-R421 VanDerWaalsContact C-N 3.28Å; G419-R421 PolarHBondContact O-N 3.45Å; R421-I427 WeakPolarHBondContact O-CG1 3.48Å; R421-R430 PolarHBondContact O-NH2 2.98Å
422	W	97.5	Very high	95.3	Very high	25 Å²	25	40.2 Å²	40.2	10%	0.095	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-102.9	17.5	-176.6	-58.1	115.6	0	0	0	114.1	A389 L412 K413 E418 N420 I427	A389-W422 HydrophobicContact CB-CE3 3.78Å; A389-W422 HydrophobicContact CB-CZ3 3.99Å; L412-W422 PolarHBondContact N-O 3.42Å; K413-W422 HydrophobicContact CB-CB 3.82Å; K413-W422 HydrophobicContact CB-CD2 4.4Å; K413-W422 HydrophobicContact CB-CG 3.76Å; K413-W422 HydrophobicContact CD-CD2 3.72Å; K413-W422 HydrophobicContact CD-CE3 4.16Å; K413-W422 HydrophobicContact CD-CG 3.99Å; K413-W422 HydrophobicContact CD-CH2 4.48Å; K413-W422 HydrophobicContact CD-CZ2 4.12Å; K413-W422 HydrophobicContact CG-CB 4.04Å; K413-W422 HydrophobicContact CG-CD2 3.93Å; K413-W422 HydrophobicContact CG-CE3 4.32Å; K413-W422 HydrophobicContact CG-CG 3.8Å; E418-W422 PolarHBondContact OE2-NE1 3.4Å; N420-W422 VanDerWaalsContact C-N 3.28Å; N420-W422 PolarHBondContact O-N 3.16Å; W422-I427 HydrophobicContact CE3-CD1 4.1Å
423	R	97.9	Very high	95.1	Very high	37 Å²	37	41.6 Å²	41.6	14%	0.14	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-80.5	132.4	172.1	-153.5	174.2	71.5	-170.3	9.6	109.9	E409 I410 F411 N420 D425 C426 I427	E409-R423 WeakPolarHBondContact O-CD 3.28Å; E409-R423 VanDerWaalsContact O-CG 3.3Å; E409-R423 WeakPolarHBondContact O-CG 3.4Å; I410-R423 WeakPolarHBondContact O-CA 3.44Å; I410-R423 WeakPolarHBondContact O-CG 3.23Å; F411-R423 HydrophobicContact CD1-CB 4.02Å; F411-R423 HydrophobicContact CD1-CG 4.25Å; F411-R423 HydrophobicContact CE1-CB 3.89Å; F411-R423 HydrophobicContact CE1-CG 4.1Å; F411-R423 HydrophobicContact CZ-CB 4.49Å; F411-R423 HydrophobicContact CZ-CG 4.25Å; N420-R423 PolarHBondContact O-N 3.43Å; N420-R423 PolarHBondContact OD1-NH1 3.46Å; R423-D425 WeakPolarHBondContact CG-OD1 3.38Å; R423-D425 IonicContact CZ-OD1 3.7Å; R423-D425 IonicContact CZ-OD2 2.79Å; R423-D425 IonicContact NE-OD1 3.43Å; R423-D425 PolarHBondContact NE-OD1 3.25Å; R423-D425 IonicContact NE-OD2 3.36Å; R423-D425 PolarHBondContact NE-OD2 3.42Å; R423-D425 IonicContact NH2-OD1 2.66Å; R423-D425 IonicContact NH2-OD2 3.49Å; R423-D425 PolarHBondContact NH2-OD2 3.22Å; R423-D425 PolarHBondContact O-N 3Å; R423-C426 HydrophobicContact CB-CB 4.21Å; R423-C426 WeakPolarHBondContact O-CB 3.25Å; R423-C426 PolarHBondContact O-N 3.13Å; R423-I427 WeakPolarHBondContact O-CG1 3.31Å; R423-I427 PolarHBondContact O-N 3.22Å
424	L	98.8	Very high	94.2	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-54.2	-53.9	-170.6	173.8	62.9	0	0	0	112.6	L392 L406 I410 L412 C426 I427 L428 L507	L392-L424 HydrophobicContact CD1-CD1 4.07Å; L406-L424 HydrophobicContact CD2-CD2 4.03Å; L406-L424 HydrophobicContact CG-CD2 4.27Å; I410-L424 HydrophobicContact CD1-CD2 4.48Å; I410-L424 HydrophobicContact CG1-CB 4.05Å; I410-L424 HydrophobicContact CG1-CD2 4.23Å; I410-L424 PolarHBondContact O-N 3.21Å; L412-L424 HydrophobicContact CD1-CD1 4.3Å; L424-C426 PolarHBondContact O-N 2.73Å; L424-I427 PolarHBondContact O-N 3.04Å; L424-I427 VanDerWaalsContact O-N 3.16Å; L424-L428 HydrophobicContact CD1-CD1 4Å; L424-L428 HydrophobicContact CD1-CD2 4.36Å; L424-L428 HydrophobicContact CD1-CG 4.04Å; L424-L428 HydrophobicContact CG-CD1 4.12Å; L424-L428 HydrophobicContact CG-CG 4.48Å; L424-L428 WeakPolarHBondContact O-CG 3.32Å; L424-L428 PolarHBondContact O-N 3.4Å; L424-L507 HydrophobicContact CD1-CD1 4.09Å; L424-L507 HydrophobicContact CD2-CB 4.03Å; L424-L507 HydrophobicContact CD2-CD1 4.04Å
425	D	98.4	Very high	93.6	Very high	9 Å²	9	56.5 Å²	56.5	5%	0.048	29%	0.287	C	S	.	.	H	α-helix	trans	-53.5	-38.4	176.9	65.2	-19.9	0	0	0	113.3	P408 R423 K429 L466	P408-D425 HydrophobicContact CB-CB 4.23Å; P408-D425 VanDerWaalsContact O-CB 3.29Å; P408-D425 WeakPolarHBondContact O-CB 3.31Å; P408-D425 PolarHBondContact O-N 3.28Å; R423-D425 WeakPolarHBondContact CG-OD1 3.38Å; R423-D425 IonicContact CZ-OD1 3.7Å; R423-D425 IonicContact CZ-OD2 2.79Å; R423-D425 IonicContact NE-OD1 3.43Å; R423-D425 PolarHBondContact NE-OD1 3.25Å; R423-D425 IonicContact NE-OD2 3.36Å; R423-D425 PolarHBondContact NE-OD2 3.42Å; R423-D425 IonicContact NH2-OD1 2.66Å; R423-D425 IonicContact NH2-OD2 3.49Å; R423-D425 PolarHBondContact NH2-OD2 3.22Å; R423-D425 PolarHBondContact O-N 3Å; D425-K429 VanDerWaalsContact O-CB 3.26Å; D425-K429 WeakPolarHBondContact O-CB 3.3Å; D425-K429 PolarHBondContact O-N 2.88Å; D425-L466 HydrophobicContact CB-CD1 3.88Å; D425-L466 HydrophobicContact CB-CD2 4.4Å; D425-L466 WeakPolarHBondContact O-CD1 3.46Å
426	C	98.4	Very high	93.6	Very high	24 Å²	24	57.9 Å²	57.9	16%	0.162	29%	0.289	C	S	.	.	H	α-helix	trans	-72.9	-38	-178.5	-67.2	0	0	0	0	111.4	N420 R423 L424 R430	N420-C426 VanDerWaalsContact O-CB 3.26Å; N420-C426 WeakPolarHBondContact O-CB 3.28Å; R423-C426 HydrophobicContact CB-CB 4.21Å; R423-C426 WeakPolarHBondContact O-CB 3.25Å; R423-C426 PolarHBondContact O-N 3.13Å; L424-C426 PolarHBondContact O-N 2.73Å; C426-R430 VanDerWaalsContact C-NH2 3.27Å; C426-R430 VanDerWaalsContact O-CZ 3.29Å; C426-R430 PolarHBondContact O-N 3.35Å; C426-R430 VanDerWaalsContact O-N 3.07Å; C426-R430 PolarHBondContact O-NH1 2.97Å; C426-R430 PolarHBondContact O-NH2 2.81Å
427	I	98.6	Very high	94	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-62.2	-55.1	171.3	-60.1	165.8	0	0	0	108.8	A389 L392 L412 R421 W422 R423 L424 K429 R430 K431	A389-I427 HydrophobicContact CB-CD1 4.27Å; L392-I427 HydrophobicContact CB-CG2 3.72Å; L392-I427 HydrophobicContact CD1-CG2 4.39Å; L412-I427 HydrophobicContact CD1-CD1 3.79Å; R421-I427 WeakPolarHBondContact O-CG1 3.48Å; W422-I427 HydrophobicContact CE3-CD1 4.1Å; R423-I427 WeakPolarHBondContact O-CG1 3.31Å; R423-I427 PolarHBondContact O-N 3.22Å; L424-I427 PolarHBondContact O-N 3.04Å; L424-I427 VanDerWaalsContact O-N 3.16Å; I427-K429 VanDerWaalsContact C-N 3.28Å; I427-K429 PolarHBondContact O-N 3.31Å; I427-R430 VanDerWaalsContact CA-NH2 3.33Å; I427-R430 VanDerWaalsContact N-NH2 3.16Å; I427-R430 WeakPolarHBondContact O-CG 3.3Å; I427-R430 PolarHBondContact O-N 2.94Å; I427-K431 HydrophobicContact CG2-CG 4.09Å; I427-K431 WeakPolarHBondContact O-CG 3.34Å; I427-K431 PolarHBondContact O-N 2.94Å
428	L	98.8	Very high	94.6	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-58.3	-40.3	-178.5	-59.9	179.5	0	0	0	112	L392 I399 I401 L424 A432 I440 L463 I470	L392-L428 HydrophobicContact CD2-CD2 4.23Å; I399-L428 HydrophobicContact CD1-CD2 4.4Å; I399-L428 HydrophobicContact CG2-CD2 4.45Å; I401-L428 HydrophobicContact CD1-CD1 4.33Å; I401-L428 HydrophobicContact CD1-CD2 4.17Å; L424-L428 HydrophobicContact CD1-CD1 4Å; L424-L428 HydrophobicContact CD1-CD2 4.36Å; L424-L428 HydrophobicContact CD1-CG 4.04Å; L424-L428 HydrophobicContact CG-CD1 4.12Å; L424-L428 HydrophobicContact CG-CG 4.48Å; L424-L428 WeakPolarHBondContact O-CG 3.32Å; L424-L428 PolarHBondContact O-N 3.4Å; L428-A432 WeakPolarHBondContact O-CB 3.39Å; L428-A432 PolarHBondContact O-N 3.37Å; L428-I440 HydrophobicContact CB-CD1 3.82Å; L428-I440 HydrophobicContact CD2-CD1 3.91Å; L428-I440 HydrophobicContact CD2-CG2 4.15Å; L428-I440 HydrophobicContact CG-CD1 4.43Å; L428-I440 WeakPolarHBondContact O-CD1 3.27Å; L428-L463 HydrophobicContact CD1-CD2 3.85Å; L428-I470 HydrophobicContact CB-CD1 4.05Å
429	K	98.6	Very high	95.2	Very high	117 Å²	117	51.6 Å²	51.6	51%	0.509	26%	0.257	S	S	.	.	H	α-helix	trans	-61.7	-44.9	175.3	-174.2	-179.8	-179.6	-177.7	0	112.2	D425 I427 A432 S433 L466	D425-K429 VanDerWaalsContact O-CB 3.26Å; D425-K429 WeakPolarHBondContact O-CB 3.3Å; D425-K429 PolarHBondContact O-N 2.88Å; I427-K429 VanDerWaalsContact C-N 3.28Å; I427-K429 PolarHBondContact O-N 3.31Å; K429-A432 PolarHBondContact O-N 3.41Å; K429-S433 PolarHBondContact O-N 3.37Å; K429-S433 VanDerWaalsContact O-N 3.16Å; K429-L466 HydrophobicContact CB-CB 4.22Å; K429-L466 HydrophobicContact CB-CD2 4.43Å; K429-L466 HydrophobicContact CD-CD2 4.3Å; K429-L466 HydrophobicContact CG-CB 4.34Å
430	R	98.1	Very high	95.6	Very high	60 Å²	60	49.5 Å²	49.5	23%	0.226	24%	0.236	C	C	.	.	H	α-helix	trans	-67.9	-42.3	-179.2	99.8	-179.5	86.5	-86.8	-6.6	111.4	E393 R421 C426 I427 A432 S433	E393-R430 WeakPolarHBondContact OE2-CD 3.3Å; E393-R430 IonicContact OE2-NE 3.75Å; E393-R430 PolarHBondContact OE2-NE 3.29Å; R421-R430 PolarHBondContact O-NH2 2.98Å; C426-R430 VanDerWaalsContact C-NH2 3.27Å; C426-R430 VanDerWaalsContact O-CZ 3.29Å; C426-R430 PolarHBondContact O-N 3.35Å; C426-R430 VanDerWaalsContact O-N 3.07Å; C426-R430 PolarHBondContact O-NH1 2.97Å; C426-R430 PolarHBondContact O-NH2 2.81Å; I427-R430 VanDerWaalsContact CA-NH2 3.33Å; I427-R430 VanDerWaalsContact N-NH2 3.16Å; I427-R430 WeakPolarHBondContact O-CG 3.3Å; I427-R430 PolarHBondContact O-N 2.94Å; R430-A432 VanDerWaalsContact C-N 3.33Å; R430-A432 PolarHBondContact O-N 2.99Å; R430-S433 VanDerWaalsContact O-CB 3.23Å; R430-S433 WeakPolarHBondContact O-CB 3.38Å; R430-S433 PolarHBondContact O-N 3.27Å; R430-S433 PolarHBondContact O-OG 3.14Å
431	K	98.4	Very high	95.8	Very high	6 Å²	6	45.5 Å²	45.5	3%	0.026	21%	0.214	C	C	.	.	H	α-helix	trans	-64	-39.5	176.7	-62	-49.1	-58.5	175.9	0	111.8	L392 E393 A395 I399 I427 S433 Q436 V438 I440	L392-K431 VanDerWaalsContact O-CD 3.25Å; L392-K431 WeakPolarHBondContact O-CD 3.16Å; L392-K431 VanDerWaalsContact O-CE 3.26Å; L392-K431 WeakPolarHBondContact O-CE 3.44Å; L392-K431 WeakPolarHBondContact O-CG 3.42Å; E393-K431 WeakPolarHBondContact O-CE 3.27Å; E393-K431 PolarHBondContact O-NZ 3.29Å; A395-K431 WeakPolarHBondContact O-CE 3.24Å; A395-K431 PolarHBondContact O-NZ 2.75Å; I399-K431 HydrophobicContact CD1-CB 4.21Å; I399-K431 HydrophobicContact CD1-CG 4.31Å; I427-K431 HydrophobicContact CG2-CG 4.09Å; I427-K431 WeakPolarHBondContact O-CG 3.34Å; I427-K431 PolarHBondContact O-N 2.94Å; K431-S433 VanDerWaalsContact C-N 3.28Å; K431-S433 PolarHBondContact O-N 3.09Å; K431-Q436 WeakPolarHBondContact O-CB 3.41Å; K431-V438 HydrophobicContact CB-CB 4.19Å; K431-V438 HydrophobicContact CB-CG2 4.21Å; K431-V438 VanDerWaalsContact O-CB 3.24Å; K431-V438 WeakPolarHBondContact O-CB 3.49Å; K431-V438 WeakPolarHBondContact O-CG2 3.46Å; K431-V438 PolarHBondContact O-N 2.94Å; K431-V438 VanDerWaalsContact O-N 3.14Å; K431-I440 HydrophobicContact CB-CD1 4.35Å
432	A	97.9	Very high	95.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-71.9	-19.5	178.6	0	0	0	0	0	114.1	L428 K429 R430 I440 H467 N469 I470	L428-A432 WeakPolarHBondContact O-CB 3.39Å; L428-A432 PolarHBondContact O-N 3.37Å; K429-A432 PolarHBondContact O-N 3.41Å; R430-A432 VanDerWaalsContact C-N 3.33Å; R430-A432 PolarHBondContact O-N 2.99Å; A432-I440 HydrophobicContact CB-CD1 3.98Å; A432-H467 HydrophobicContact CB-CB 3.74Å; A432-H467 PolarHBondContact O-CE1 3.41Å; A432-H467 PolarHBondContact O-ND1 2.75Å; A432-N469 HydrophobicContact CB-CB 4.1Å; A432-N469 PolarHBondContact O-ND2 2.98Å; A432-I470 HydrophobicContact CB-CD1 4.11Å; A432-I470 HydrophobicContact CB-CG1 3.81Å
433	S	94.9	Very high	96	Very high	30 Å²	30	40.2 Å²	40.2	21%	0.21	19%	0.194	C	C	.	.	S	Bend	trans	-54.2	157.4	-174.2	72.8	0	0	0	0	113	K429 R430 K431 Q435 Q436 G437	K429-S433 PolarHBondContact O-N 3.37Å; K429-S433 VanDerWaalsContact O-N 3.16Å; R430-S433 VanDerWaalsContact O-CB 3.23Å; R430-S433 WeakPolarHBondContact O-CB 3.38Å; R430-S433 PolarHBondContact O-N 3.27Å; R430-S433 PolarHBondContact O-OG 3.14Å; K431-S433 VanDerWaalsContact C-N 3.28Å; K431-S433 PolarHBondContact O-N 3.09Å; S433-Q435 PolarHBondContact O-N 2.79Å; S433-Q435 VanDerWaalsContact O-N 3.15Å; S433-Q436 PolarHBondContact O-N 2.68Å; S433-G437 PolarHBondContact O-N 3.11Å
434	Q	78.3	Confident	96	Very high	183 Å²	183	38.6 Å²	38.6	86%	0.855	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-31.6	-178.4	-69.8	-178	-22.7	0	0	113.6	Q436	Q434-Q436 VanDerWaalsContact C-N 3.33Å
435	Q	79.9	Confident	96	Very high	188 Å²	188	39 Å²	39	88%	0.879	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-31.8	178.3	-69.9	177.3	-17.9	0	0	112.6	S433	S433-Q435 PolarHBondContact O-N 2.79Å; S433-Q435 VanDerWaalsContact O-N 3.15Å
436	Q	91.6	Very high	95.8	Very high	73 Å²	73	40.6 Å²	40.6	34%	0.341	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-27.2	-175.5	-61	-166.3	18	0	0	113.4	K431 S433 Q434 V438	K431-Q436 WeakPolarHBondContact O-CB 3.41Å; S433-Q436 PolarHBondContact O-N 2.68Å; Q434-Q436 VanDerWaalsContact C-N 3.33Å; Q436-V438 PolarHBondContact O-N 3.19Å; Q436-V438 VanDerWaalsContact O-N 3.07Å
437	G	95	Very high	95.4	Very high	37 Å²	37	39.6 Å²	39.6	38%	0.381	19%	0.19	S	C	.	.			trans	69.7	3.1	168.2	0	0	0	0	0	116.6	S433 R439	S433-G437 PolarHBondContact O-N 3.11Å; G437-R439 PolarHBondContact O-N 2.87Å
438	V	98.1	Very high	94.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.203	C	C	.	.			trans	-62.7	132.2	-174.8	-174.8	0	0	0	0	110.7	A395 I399 K431 Q436 I440 N469	A395-V438 HydrophobicContact CB-CG1 4.25Å; A395-V438 HydrophobicContact CB-CG2 4.5Å; A395-V438 WeakPolarHBondContact O-CG2 3.35Å; I399-V438 HydrophobicContact CD1-CG1 3.84Å; I399-V438 HydrophobicContact CG1-CG1 3.9Å; K431-V438 HydrophobicContact CB-CB 4.19Å; K431-V438 HydrophobicContact CB-CG2 4.21Å; K431-V438 VanDerWaalsContact O-CB 3.24Å; K431-V438 WeakPolarHBondContact O-CB 3.49Å; K431-V438 WeakPolarHBondContact O-CG2 3.46Å; K431-V438 PolarHBondContact O-N 2.94Å; K431-V438 VanDerWaalsContact O-N 3.14Å; Q436-V438 PolarHBondContact O-N 3.19Å; Q436-V438 VanDerWaalsContact O-N 3.07Å; V438-I440 HydrophobicContact CG1-CG1 4.32Å; V438-N469 WeakPolarHBondContact O-CB 3.16Å
439	R	98.5	Very high	93.9	Very high	76 Å²	76	48.2 Å²	48.2	29%	0.287	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	128.8	173.8	-64.4	-69.2	-164	170	7.4	109.6	Y72 E397 E398 I399 G437 F441 N469	Y72-R439 HydrophobicContact CD2-CG 3.86Å; Y72-R439 HydrophobicContact CE2-CB 4.39Å; Y72-R439 HydrophobicContact CE2-CG 4.01Å; Y72-R439 HydrophobicContact CG-CG 4.35Å; E397-R439 PolarHBondContact O-N 2.88Å; E398-R439 CarbonylContact C-O 3.53Å; E398-R439 VanDerWaalsContact CA-O 3.32Å; E398-R439 WeakPolarHBondContact CA-O 3.21Å; I399-R439 PolarHBondContact N-O 2.81Å; G437-R439 PolarHBondContact O-N 2.87Å; R439-F441 HydrophobicContact CB-CD2 4.44Å; R439-F441 HydrophobicContact CB-CE2 3.51Å; R439-F441 HydrophobicContact CB-CZ 3.69Å; R439-F441 HydrophobicContact CG-CZ 4.42Å; R439-N469 PolarHBondContact NH1-OD1 3.07Å
440	I	98.9	Very high	92.6	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	122.4	-173.9	-50.6	-175.4	0	0	0	109.1	I399 L428 K431 A432 V438 V442 N469 I470 K471	I399-I440 HydrophobicContact CB-CG1 4.24Å; I399-I440 HydrophobicContact CB-CG2 4.19Å; I399-I440 HydrophobicContact CD1-CD1 4.11Å; I399-I440 HydrophobicContact CD1-CG1 4.21Å; I399-I440 HydrophobicContact CG2-CG2 4.19Å; I399-I440 WeakPolarHBondContact O-CA 3.49Å; L428-I440 HydrophobicContact CB-CD1 3.82Å; L428-I440 HydrophobicContact CD2-CD1 3.91Å; L428-I440 HydrophobicContact CD2-CG2 4.15Å; L428-I440 HydrophobicContact CG-CD1 4.43Å; L428-I440 WeakPolarHBondContact O-CD1 3.27Å; K431-I440 HydrophobicContact CB-CD1 4.35Å; A432-I440 HydrophobicContact CB-CD1 3.98Å; V438-I440 HydrophobicContact CG1-CG1 4.32Å; I440-V442 HydrophobicContact CG2-CG2 4.2Å; I440-N469 PolarHBondContact N-O 3.16Å; I440-I470 HydrophobicContact CB-CB 4.45Å; I440-I470 HydrophobicContact CB-CG1 4.1Å; I440-I470 HydrophobicContact CB-CG2 4.31Å; I440-I470 HydrophobicContact CD1-CD1 4.17Å; I440-I470 HydrophobicContact CD1-CG1 4.13Å; I440-I470 HydrophobicContact CG1-CG1 4.41Å; I440-I470 HydrophobicContact CG2-CG2 4.29Å; I440-I470 CarbonylContact O-C 3.47Å; I440-I470 WeakPolarHBondContact O-CA 3.4Å; I440-K471 PolarHBondContact O-N 2.93Å
441	F	98.9	Very high	91.4	Very high	1 Å²	1	52 Å²	52	0%	0.004	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	120.2	-176.3	-55.3	-78	0	0	0	109.7	Y72 I399 F400 I401 R439 K471 F684 W688 P704 L706	Y72-F441 AromaticContact CE1-CZ 3.97Å; Y72-F441 HydrophobicContact CE1-CZ 3.97Å; Y72-F441 AromaticContact CZ-CZ 3.88Å; I399-F441 PolarHBondContact O-N 3Å; F400-F441 CarbonylContact C-O 3.42Å; F400-F441 WeakPolarHBondContact CA-O 3.37Å; F400-F441 HydrophobicContact CD1-CB 4.07Å; F400-F441 AromaticContact CD1-CD2 3.71Å; F400-F441 HydrophobicContact CD1-CD2 3.71Å; F400-F441 HydrophobicContact CD1-CG 4.34Å; F400-F441 AromaticContact CE1-CD2 3.52Å; F400-F441 HydrophobicContact CE1-CD2 3.52Å; F400-F441 HydrophobicContact CE1-CE2 4.09Å; F400-F441 HydrophobicContact CE1-CG 4.42Å; I401-F441 PolarHBondContact N-O 3.25Å; R439-F441 HydrophobicContact CB-CD2 4.44Å; R439-F441 HydrophobicContact CB-CE2 3.51Å; R439-F441 HydrophobicContact CB-CZ 3.69Å; R439-F441 HydrophobicContact CG-CZ 4.42Å; F441-K471 WeakPolarHBondContact CA-O 3.48Å; F441-K471 HydrophobicContact CD1-CB 4.1Å; F441-K471 HydrophobicContact CE1-CB 4.49Å; F441-K471 HydrophobicContact CE1-CG 4.42Å; F441-F684 HydrophobicContact CB-CE1 3.79Å; F441-F684 HydrophobicContact CB-CZ 3.77Å; F441-F684 WeakPolarHBondContact O-CZ 3.36Å; F441-W688 HydrophobicContact CB-CE3 4.2Å; F441-W688 HydrophobicContact CB-CH2 4.1Å; F441-W688 HydrophobicContact CB-CZ3 3.89Å; F441-W688 AromaticContact CD1-CH2 3.6Å; F441-W688 HydrophobicContact CD1-CH2 3.6Å; F441-W688 AromaticContact CD1-CZ2 3.5Å; F441-W688 HydrophobicContact CD1-CZ2 3.5Å; F441-W688 VanDerWaalsContact CD1-CZ2 3.5Å; F441-W688 HydrophobicContact CD1-CZ3 4.24Å; F441-W688 HydrophobicContact CE1-CZ2 4.12Å; F441-W688 HydrophobicContact CG-CH2 4.32Å; F441-W688 HydrophobicContact CG-CZ2 4.42Å; F441-P704 HydrophobicContact CE1-CG 3.53Å; F441-P704 HydrophobicContact CZ-CG 3.78Å; F441-L706 HydrophobicContact CB-CD1 4.45Å; F441-L706 HydrophobicContact CD1-CD2 4.08Å; F441-L706 HydrophobicContact CD2-CD1 4.37Å; F441-L706 HydrophobicContact CD2-CD2 3.9Å; F441-L706 HydrophobicContact CE1-CD2 3.79Å; F441-L706 HydrophobicContact CE2-CD2 3.54Å; F441-L706 HydrophobicContact CG-CD1 4.23Å; F441-L706 HydrophobicContact CG-CD2 4.12Å; F441-L706 HydrophobicContact CZ-CD2 3.48Å; F441-L706 VanDerWaalsContact CZ-CD2 3.48Å
442	V	98.9	Very high	90.6	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	131.4	-176.9	-173.8	0	0	0	0	109.6	I401 L406 I440 L444 L463 K471 V472 M473	I401-V442 HydrophobicContact CB-CG1 4.27Å; I401-V442 HydrophobicContact CB-CG2 4.24Å; I401-V442 HydrophobicContact CD1-CG2 4.42Å; I401-V442 HydrophobicContact CG2-CG1 4.39Å; I401-V442 CarbonylContact O-C 3.5Å; I401-V442 WeakPolarHBondContact O-CA 3.18Å; L406-V442 HydrophobicContact CD1-CG1 3.88Å; I440-V442 HydrophobicContact CG2-CG2 4.2Å; V442-L444 HydrophobicContact CG1-CD2 3.67Å; V442-L444 HydrophobicContact CG1-CG 3.97Å; V442-L463 HydrophobicContact CG1-CD1 4.34Å; V442-L463 HydrophobicContact CG2-CD1 4.31Å; V442-K471 PolarHBondContact N-O 2.97Å; V442-V472 HydrophobicContact CB-CB 4.43Å; V442-V472 HydrophobicContact CB-CG1 4.14Å; V442-V472 HydrophobicContact CB-CG2 4.07Å; V442-V472 HydrophobicContact CG1-CG1 4.28Å; V442-V472 HydrophobicContact CG2-CG2 4.4Å; V442-V472 CarbonylContact O-C 3.59Å; V442-V472 WeakPolarHBondContact O-CA 3.45Å; V442-M473 PolarHBondContact O-N 3.14Å
443	M	98.8	Very high	89.9	Confident	3 Å²	3	56 Å²	56	2%	0.015	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	114.2	171.3	-64.9	-170.6	64.9	0	0	109.8	I401 T402 D403 F684 R687 W688 T691	I401-M443 PolarHBondContact O-N 2.89Å; T402-M443 WeakPolarHBondContact CA-O 3.48Å; T402-M443 HydrophobicContact CG2-CB 4.26Å; D403-M443 PolarHBondContact N-O 2.88Å; M443-F684 HydrophobicContact CB-CE2 4.19Å; M443-F684 HydrophobicContact CG-CE2 3.73Å; M443-F684 HydrophobicContact CG-CZ 3.91Å; M443-F684 HydrophobicContact SD-CD2 4.39Å; M443-F684 HydrophobicContact SD-CE2 4.06Å; M443-F684 HydrophobicContact SD-CZ 4.33Å; M443-R687 HydrophobicContact CE-CB 3.89Å; M443-R687 HydrophobicContact SD-CB 3.97Å; M443-W688 HydrophobicContact CG-CE3 3.76Å; M443-W688 HydrophobicContact CG-CZ3 4.29Å; M443-W688 HydrophobicContact SD-CB 3.96Å; M443-W688 HydrophobicContact SD-CE3 4.2Å; M443-W688 PolarHBondContact SD-N 2.99Å; M443-T691 VanDerWaalsContact CE-OG1 3.3Å; M443-T691 WeakPolarHBondContact CE-OG1 3.28Å
444	L	98.6	Very high	89.7	Confident	3 Å²	3	55 Å²	55	2%	0.016	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	144.5	177.6	-56	178.8	0	0	0	110.6	D403 L406 V442 K446 V472 M473 R474 H475	D403-L444 HydrophobicContact CB-CD2 4.23Å; L406-L444 HydrophobicContact CB-CD2 3.56Å; L406-L444 HydrophobicContact CD1-CD2 4.09Å; L406-L444 HydrophobicContact CG-CD2 4.46Å; V442-L444 HydrophobicContact CG1-CD2 3.67Å; V442-L444 HydrophobicContact CG1-CG 3.97Å; L444-K446 PolarHBondContact O-N 3.45Å; L444-V472 HydrophobicContact CD1-CG1 3.93Å; L444-V472 HydrophobicContact CG-CG1 4.1Å; L444-M473 PolarHBondContact N-O 3.16Å; L444-R474 HydrophobicContact CB-CG 4.38Å; L444-R474 WeakPolarHBondContact O-CA 3.33Å; L444-H475 PolarHBondContact O-N 2.82Å
445	Y	97.4	Very high	90.5	Very high	10 Å²	10	48.7 Å²	48.7	4%	0.039	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	135.9	159.6	172.9	-124.3	0	0	0	109.5	D403 W404 E447 L452 I454 S456 H475 A487	D403-Y445 PolarHBondContact O-N 3.02Å; W404-Y445 AromaticContact CD1-CD1 3.68Å; W404-Y445 HydrophobicContact CG-CD1 4.43Å; W404-Y445 AromaticContact NE1-CD1 3.47Å; W404-Y445 AromaticContact NE1-CE1 3.73Å; Y445-E447 HydrophobicContact CD1-CB 4.4Å; Y445-E447 HydrophobicContact CE1-CB 3.9Å; Y445-L452 HydrophobicContact CE1-CD1 3.92Å; Y445-I454 HydrophobicContact CD1-CD1 3.86Å; Y445-I454 HydrophobicContact CE1-CD1 4.44Å; Y445-S456 VanDerWaalsContact O-CB 3.26Å; Y445-S456 WeakPolarHBondContact O-CB 3.46Å; Y445-S456 PolarHBondContact O-OG 3.32Å; Y445-H475 WeakPolarHBondContact CA-O 3.19Å; Y445-A487 HydrophobicContact CD1-CB 4.27Å; Y445-A487 HydrophobicContact CD2-CB 3.79Å; Y445-A487 HydrophobicContact CE1-CB 4.09Å; Y445-A487 HydrophobicContact CE2-CB 3.57Å; Y445-A487 HydrophobicContact CG-CB 4.14Å
446	K	94.9	Very high	91.3	Very high	41 Å²	41	40 Å²	40	18%	0.178	23%	0.226	C	C	.	.			trans	-99.1	111.9	168.4	-175	167.3	159.6	-169.1	0	107.5	L444 R474 H475 P476 D477 H478	L444-K446 PolarHBondContact O-N 3.45Å; K446-R474 HydrophobicContact CB-CB 4.06Å; K446-R474 HydrophobicContact CD-CB 4.39Å; K446-H475 PolarHBondContact N-O 2.89Å; K446-P476 VanDerWaalsContact CB-O 3.25Å; K446-P476 WeakPolarHBondContact CB-O 3.46Å; K446-P476 WeakPolarHBondContact CD-O 3.32Å; K446-D477 WeakPolarHBondContact CD-OD1 3.42Å; K446-D477 IonicContact NZ-OD1 3.89Å; K446-D477 PolarHBondContact NZ-OD1 2.96Å; K446-H478 PolarHBondContact O-CE1 2.9Å; K446-H478 PolarHBondContact O-NE2 2.89Å
447	E	90.8	Very high	91.5	Very high	4 Å²	4	37.1 Å²	37.1	2%	0.019	22%	0.216	C	C	.	.			trans	-72.9	157.9	177.5	73.4	-73.6	-172.9	0	0	113.5	Y445 E449 L452 I454 N455 S456 H478	Y445-E447 HydrophobicContact CD1-CB 4.4Å; Y445-E447 HydrophobicContact CE1-CB 3.9Å; E447-E449 HydrophobicContact CG-CG 4.36Å; E447-E449 PolarHBondContact O-N 3.26Å; E447-L452 HydrophobicContact CB-CB 4Å; E447-L452 HydrophobicContact CB-CD1 4.3Å; E447-L452 HydrophobicContact CG-CB 4.44Å; E447-I454 HydrophobicContact CB-CD1 3.85Å; E447-I454 HydrophobicContact CB-CG1 3.74Å; E447-I454 HydrophobicContact CG-CD1 4.28Å; E447-I454 HydrophobicContact CG-CG1 3.69Å; E447-N455 VanDerWaalsContact OE1-CA 3.25Å; E447-N455 WeakPolarHBondContact OE1-CA 3.26Å; E447-N455 PolarHBondContact OE1-N 3.08Å; E447-S456 PolarHBondContact OE1-N 3.24Å; E447-S456 WeakPolarHBondContact OE2-CB 3.28Å; E447-S456 PolarHBondContact OE2-N 3.49Å; E447-S456 PolarHBondContact OE2-OG 2.95Å; E447-H478 PolarHBondContact O-NE2 3.42Å
448	V	85.6	Confident	91.6	Very high	47 Å²	47	36.9 Å²	36.9	29%	0.285	20%	0.204	S	C	.	.			trans	-77.9	101.5	158.9	-179.1	0	0	0	0	107.1	L450 A451 L452	V448-L450 PolarHBondContact O-N 3.09Å; V448-A451 HydrophobicContact CB-CB 4.22Å; V448-A451 HydrophobicContact CG1-CB 4.19Å; V448-A451 PolarHBondContact O-N 3.43Å; V448-L452 PolarHBondContact O-N 3.33Å; V448-L452 VanDerWaalsContact O-N 3.12Å
449	E	79.1	Confident	91.7	Very high	134 Å²	134	37 Å²	37	63%	0.626	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-23.9	-171.8	-66.4	174.2	-173.7	0	0	114.3	E447	E447-E449 HydrophobicContact CG-CG 4.36Å; E447-E449 PolarHBondContact O-N 3.26Å
450	L	72.4	Confident	91.6	Very high	178 Å²	178	34.9 Å²	34.9	93%	0.932	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-17.8	175.3	-73.2	115.8	0	0	0	114.2	V448	V448-L450 PolarHBondContact O-N 3.09Å
451	A	71.7	Confident	91.6	Very high	77 Å²	77	42 Å²	42	64%	0.636	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.4	-22.1	-172.8	0	0	0	0	0	113.4	V448	V448-A451 HydrophobicContact CB-CB 4.22Å; V448-A451 HydrophobicContact CG1-CB 4.19Å; V448-A451 PolarHBondContact O-N 3.43Å
452	L	81.8	Confident	91.6	Very high	58 Å²	58	43.3 Å²	43.3	30%	0.304	23%	0.233	S	C	.	.			trans	-138.8	131.6	-176.1	-71.1	171.6	0	0	0	111.2	W404 Y445 E447 V448 I454	W404-L452 HydrophobicContact CZ2-CD1 4.05Å; W404-L452 HydrophobicContact CZ2-CD2 4.3Å; Y445-L452 HydrophobicContact CE1-CD1 3.92Å; E447-L452 HydrophobicContact CB-CB 4Å; E447-L452 HydrophobicContact CB-CD1 4.3Å; E447-L452 HydrophobicContact CG-CB 4.44Å; V448-L452 PolarHBondContact O-N 3.33Å; V448-L452 VanDerWaalsContact O-N 3.12Å; L452-I454 PolarHBondContact O-N 3.44Å
453	G	83.9	Confident	91.6	Very high	33 Å²	33	43.3 Å²	43.3	34%	0.34	23%	0.233	S	C	.	.			trans	-84.9	9.3	-175.7	0	0	0	0	0	116.6	N455 L647	G453-N455 PolarHBondContact O-N 2.73Å; G453-L647 WeakPolarHBondContact O-CD1 3.25Å
454	I	90.2	Very high	91.5	Very high	9 Å²	9	46.1 Å²	46.1	5%	0.046	25%	0.247	C	C	.	.			trans	-66.6	-20.9	-170.4	66.3	167	0	0	0	114.8	W404 W405 Y445 E447 L452 S456 L647	W404-I454 HydrophobicContact CE3-CG2 4.37Å; W404-I454 HydrophobicContact CH2-CG2 3.53Å; W404-I454 HydrophobicContact CZ2-CG2 4.24Å; W404-I454 HydrophobicContact CZ3-CG2 3.6Å; W404-I454 WeakPolarHBondContact O-CD1 3.48Å; W405-I454 HydrophobicContact CB-CB 4.24Å; W405-I454 HydrophobicContact CB-CG2 4.11Å; W405-I454 HydrophobicContact CD2-CB 4.2Å; W405-I454 HydrophobicContact CD2-CG2 4.08Å; W405-I454 HydrophobicContact CE3-CG2 4.43Å; W405-I454 HydrophobicContact CG-CB 3.8Å; W405-I454 HydrophobicContact CG-CG2 3.92Å; W405-I454 PolarHBondContact NE1-O 3.27Å; Y445-I454 HydrophobicContact CD1-CD1 3.86Å; Y445-I454 HydrophobicContact CE1-CD1 4.44Å; E447-I454 HydrophobicContact CB-CD1 3.85Å; E447-I454 HydrophobicContact CB-CG1 3.74Å; E447-I454 HydrophobicContact CG-CD1 4.28Å; E447-I454 HydrophobicContact CG-CG1 3.69Å; L452-I454 PolarHBondContact O-N 3.44Å; I454-S456 PolarHBondContact O-N 3.22Å; I454-L647 VanDerWaalsContact O-CD1 3.31Å; I454-L647 WeakPolarHBondContact O-CD1 3.48Å
455	N	94.8	Very high	91.5	Very high	51 Å²	51	53.4 Å²	53.4	27%	0.273	28%	0.28	S	S	.	.			trans	49.7	55.7	177.4	-161	-14.1	0	0	0	113.8	E447 G453 G457 Y458 S459 L647	E447-N455 VanDerWaalsContact OE1-CA 3.25Å; E447-N455 WeakPolarHBondContact OE1-CA 3.26Å; E447-N455 PolarHBondContact OE1-N 3.08Å; G453-N455 PolarHBondContact O-N 2.73Å; N455-G457 PolarHBondContact O-N 3Å; N455-Y458 VanDerWaalsContact CG-CB 3.47Å; N455-Y458 WeakPolarHBondContact O-CB 3.36Å; N455-Y458 PolarHBondContact O-N 3.42Å; N455-Y458 WeakPolarHBondContact OD1-CB 3.44Å; N455-Y458 PolarHBondContact OD1-N 2.85Å; N455-S459 PolarHBondContact O-N 3.39Å; N455-L647 HydrophobicContact CB-CD1 3.86Å
456	S	96.7	Very high	91.6	Very high	4 Å²	4	54.6 Å²	54.6	3%	0.028	29%	0.287	C	S	.	.	H	α-helix	trans	-60.1	-21.2	177.9	69	0	0	0	0	112.2	Y445 E447 I454 K460 R474	Y445-S456 VanDerWaalsContact O-CB 3.26Å; Y445-S456 WeakPolarHBondContact O-CB 3.46Å; Y445-S456 PolarHBondContact O-OG 3.32Å; E447-S456 PolarHBondContact OE1-N 3.24Å; E447-S456 WeakPolarHBondContact OE2-CB 3.28Å; E447-S456 PolarHBondContact OE2-N 3.49Å; E447-S456 PolarHBondContact OE2-OG 2.95Å; I454-S456 PolarHBondContact O-N 3.22Å; S456-K460 VanDerWaalsContact O-CB 3.25Å; S456-K460 WeakPolarHBondContact O-CB 3.36Å; S456-K460 PolarHBondContact O-N 3.38Å; S456-R474 WeakPolarHBondContact O-CD 3.37Å; S456-R474 WeakPolarHBondContact OG-CD 3.44Å; S456-R474 PolarHBondContact OG-NH1 3.4Å
457	G	97.2	Very high	91.7	Very high	13 Å²	13	54.4 Å²	54.4	13%	0.134	29%	0.287	C	S	.	.	H	α-helix	trans	-63.7	-37.7	171.8	0	0	0	0	0	113.6	N455 R461	N455-G457 PolarHBondContact O-N 3Å; G457-R461 WeakPolarHBondContact O-CG 3.43Å; G457-R461 PolarHBondContact O-N 3.24Å; G457-R461 PolarHBondContact O-NE 3.14Å
458	Y	97.4	Very high	92	Very high	33 Å²	33	58.3 Å²	58.3	13%	0.129	31%	0.312	C	S	.	.	H	α-helix	trans	-65.4	-56.9	170.8	173.1	-100.9	0	0	0	110.5	E409 N455 K460 R461 T462 E648	E409-Y458 WeakPolarHBondContact OE1-CE1 3.45Å; E409-Y458 PolarHBondContact OE1-OH 2.82Å; N455-Y458 VanDerWaalsContact CG-CB 3.47Å; N455-Y458 WeakPolarHBondContact O-CB 3.36Å; N455-Y458 PolarHBondContact O-N 3.42Å; N455-Y458 WeakPolarHBondContact OD1-CB 3.44Å; N455-Y458 PolarHBondContact OD1-N 2.85Å; Y458-K460 VanDerWaalsContact C-N 3.28Å; Y458-K460 PolarHBondContact O-N 3.09Å; Y458-R461 WeakPolarHBondContact O-CA 3.49Å; Y458-R461 PolarHBondContact O-N 2.75Å; Y458-T462 WeakPolarHBondContact CE2-OG1 3.44Å; Y458-T462 PolarHBondContact O-N 3.23Å; Y458-T462 PolarHBondContact O-OG1 3.04Å; Y458-E648 HydrophobicContact CD2-CB 4.02Å; Y458-E648 HydrophobicContact CE2-CB 3.78Å
459	S	98.3	Very high	92.6	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.014	30%	0.304	C	S	.	.	H	α-helix	trans	-55.2	-43.8	-177.9	-46.7	0	0	0	0	112.1	L406 N455 R461 T462 L463	L406-S459 VanDerWaalsContact O-CB 3.29Å; L406-S459 WeakPolarHBondContact O-CB 3.24Å; L406-S459 PolarHBondContact O-OG 2.78Å; N455-S459 PolarHBondContact O-N 3.39Å; S459-R461 PolarHBondContact O-N 3.42Å; S459-T462 PolarHBondContact O-N 3.44Å; S459-L463 WeakPolarHBondContact O-CB 3.49Å; S459-L463 VanDerWaalsContact O-CG 3.28Å; S459-L463 WeakPolarHBondContact O-CG 3.27Å; S459-L463 PolarHBondContact O-N 2.68Å
460	K	98.3	Very high	93.6	Very high	31 Å²	31	50.8 Å²	50.8	14%	0.135	28%	0.275	C	S	.	.	H	α-helix	trans	-57.3	-49	173.9	167	163.6	-177.7	152.2	0	112.4	S456 Y458 M464 V472 R474 Y698 Y703	S456-K460 VanDerWaalsContact O-CB 3.25Å; S456-K460 WeakPolarHBondContact O-CB 3.36Å; S456-K460 PolarHBondContact O-N 3.38Å; Y458-K460 VanDerWaalsContact C-N 3.28Å; Y458-K460 PolarHBondContact O-N 3.09Å; K460-M464 HydrophobicContact CD-SD 4.42Å; K460-M464 WeakPolarHBondContact CE-SD 3.13Å; K460-M464 HydrophobicContact CG-SD 4.1Å; K460-M464 WeakPolarHBondContact O-CB 3.46Å; K460-M464 VanDerWaalsContact O-CG 3.31Å; K460-M464 WeakPolarHBondContact O-CG 3.27Å; K460-M464 PolarHBondContact O-N 3.48Å; K460-M464 VanDerWaalsContact O-N 3.07Å; K460-V472 HydrophobicContact CB-CB 4.4Å; K460-V472 HydrophobicContact CB-CG1 3.95Å; K460-V472 HydrophobicContact CD-CB 4.49Å; K460-V472 HydrophobicContact CD-CG1 4.45Å; K460-V472 WeakPolarHBondContact CE-O 3.16Å; K460-V472 HydrophobicContact CG-CB 4.07Å; K460-V472 HydrophobicContact CG-CG1 4.1Å; K460-V472 PolarHBondContact NZ-O 3.23Å; K460-R474 HydrophobicContact CB-CG 4.37Å; K460-R474 HydrophobicContact CD-CG 3.94Å; K460-Y698 PolarHBondContact NZ-OH 2.97Å; K460-Y703 PolarHBondContact NZ-OH 3.31Å
461	R	98.4	Very high	94.8	Very high	150 Å²	150	43.8 Å²	43.8	57%	0.566	24%	0.237	S	C	*	.	H	α-helix	trans	-64	-51.8	-178.6	-77.6	-176.9	-65.2	153.1	-0.4	109.5	G457 Y458 S459 L463 M464 H465	G457-R461 WeakPolarHBondContact O-CG 3.43Å; G457-R461 PolarHBondContact O-N 3.24Å; G457-R461 PolarHBondContact O-NE 3.14Å; Y458-R461 WeakPolarHBondContact O-CA 3.49Å; Y458-R461 PolarHBondContact O-N 2.75Å; S459-R461 PolarHBondContact O-N 3.42Å; R461-L463 PolarHBondContact O-N 3.25Å; R461-M464 PolarHBondContact O-N 3.07Å; R461-H465 PolarHBondContact O-N 3.04Å; R461-H465 PolarHBondContact O-ND1 2.87Å
462	T	98.3	Very high	96.1	Very high	29 Å²	29	40.1 Å²	40.1	18%	0.178	21%	0.207	C	C	.	.	H	α-helix	trans	-53.2	-53.8	-179.2	-56.6	0	0	0	0	111.2	P408 Y458 S459 M464 H465	P408-T462 HydrophobicContact CB-CG2 3.87Å; P408-T462 HydrophobicContact CG-CG2 4.03Å; Y458-T462 WeakPolarHBondContact CE2-OG1 3.44Å; Y458-T462 PolarHBondContact O-N 3.23Å; Y458-T462 PolarHBondContact O-OG1 3.04Å; S459-T462 PolarHBondContact O-N 3.44Å; T462-M464 PolarHBondContact O-N 3.18Å; T462-H465 PolarHBondContact O-N 3.22Å
463	L	98.6	Very high	96.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-62	-42.6	-179.3	-69	177.1	0	0	0	113.4	L406 P408 L428 V442 S459 R461 H465 L466 I470 V472	L406-L463 HydrophobicContact CD1-CD1 4.17Å; L406-L463 HydrophobicContact CD2-CD1 3.87Å; P408-L463 HydrophobicContact CB-CD2 4.17Å; P408-L463 HydrophobicContact CG-CD2 4.45Å; P408-L463 HydrophobicContact CG-CG 4.29Å; L428-L463 HydrophobicContact CD1-CD2 3.85Å; V442-L463 HydrophobicContact CG1-CD1 4.34Å; V442-L463 HydrophobicContact CG2-CD1 4.31Å; S459-L463 WeakPolarHBondContact O-CB 3.49Å; S459-L463 VanDerWaalsContact O-CG 3.28Å; S459-L463 WeakPolarHBondContact O-CG 3.27Å; S459-L463 PolarHBondContact O-N 2.68Å; R461-L463 PolarHBondContact O-N 3.25Å; L463-H465 VanDerWaalsContact C-N 3.28Å; L463-H465 PolarHBondContact O-N 3.05Å; L463-L466 HydrophobicContact CD2-CD1 3.98Å; L463-L466 WeakPolarHBondContact O-CB 3.34Å; L463-L466 PolarHBondContact O-N 2.72Å; L463-I470 HydrophobicContact CB-CG2 4.28Å; L463-V472 HydrophobicContact CB-CG2 3.84Å; L463-V472 HydrophobicContact CD1-CG2 4.15Å
464	M	98	Very high	97.6	Very high	61 Å²	61	37.3 Å²	37.3	30%	0.3	18%	0.182	S	C	.	.	H	α-helix	trans	-70.2	-21.8	180	-74.1	-168	67.1	0	0	113.8	K460 R461 T462 L466 V472 Y703	K460-M464 HydrophobicContact CD-SD 4.42Å; K460-M464 WeakPolarHBondContact CE-SD 3.13Å; K460-M464 HydrophobicContact CG-SD 4.1Å; K460-M464 WeakPolarHBondContact O-CB 3.46Å; K460-M464 VanDerWaalsContact O-CG 3.31Å; K460-M464 WeakPolarHBondContact O-CG 3.27Å; K460-M464 PolarHBondContact O-N 3.48Å; K460-M464 VanDerWaalsContact O-N 3.07Å; R461-M464 PolarHBondContact O-N 3.07Å; T462-M464 PolarHBondContact O-N 3.18Å; M464-L466 VanDerWaalsContact C-N 3.34Å; M464-V472 HydrophobicContact CG-CB 4.04Å; M464-V472 HydrophobicContact CG-CG2 3.78Å; M464-V472 HydrophobicContact SD-CB 4.35Å; M464-Y703 WeakPolarHBondContact CE-OH 3.18Å
465	H	98.3	Very high	97.8	Very high	157 Å²	157	37.4 Å²	37.4	73%	0.727	18%	0.182	S	C	*	.	H	α-helix	trans	-79.5	-15.9	174.8	-75.2	85.9	0	0	0	112.9	R461 T462 L463	R461-H465 PolarHBondContact O-N 3.04Å; R461-H465 PolarHBondContact O-ND1 2.87Å; T462-H465 PolarHBondContact O-N 3.22Å; L463-H465 VanDerWaalsContact C-N 3.28Å; L463-H465 PolarHBondContact O-N 3.05Å
466	L	98.1	Very high	97.6	Very high	34 Å²	34	35 Å²	35	18%	0.178	17%	0.169	C	C	.	.	H	α-helix	trans	-67.8	-47.3	-178.5	-62.3	171.8	0	0	0	112.5	D425 K429 L463 M464 I470	D425-L466 HydrophobicContact CB-CD1 3.88Å; D425-L466 HydrophobicContact CB-CD2 4.4Å; D425-L466 WeakPolarHBondContact O-CD1 3.46Å; K429-L466 HydrophobicContact CB-CB 4.22Å; K429-L466 HydrophobicContact CB-CD2 4.43Å; K429-L466 HydrophobicContact CD-CD2 4.3Å; K429-L466 HydrophobicContact CG-CB 4.34Å; L463-L466 HydrophobicContact CD2-CD1 3.98Å; L463-L466 WeakPolarHBondContact O-CB 3.34Å; L463-L466 PolarHBondContact O-N 2.72Å; M464-L466 VanDerWaalsContact C-N 3.34Å; L466-I470 HydrophobicContact CB-CD1 3.95Å; L466-I470 HydrophobicContact CD1-CD1 4.1Å
467	H	98.6	Very high	97	Very high	37 Å²	37	36.6 Å²	36.6	17%	0.171	18%	0.177	C	C	.	.			trans	-165.2	147	-178.6	-164.4	-98.8	0	0	0	112.6	A432 N469 I470	A432-H467 HydrophobicContact CB-CB 3.74Å; A432-H467 PolarHBondContact O-CE1 3.41Å; A432-H467 PolarHBondContact O-ND1 2.75Å; H467-N469 WeakPolarHBondContact ND1-CB 3.33Å; H467-N469 PolarHBondContact ND1-N 3.32Å; H467-N469 VanDerWaalsContact ND1-N 3.18Å; H467-N469 PolarHBondContact O-N 2.7Å; H467-N469 VanDerWaalsContact O-N 3.15Å; H467-I470 HydrophobicContact CB-CG1 4.31Å; H467-I470 PolarHBondContact O-N 3.14Å
468	P	97.1	Very high	95.8	Very high	86 Å²	86	36.9 Å²	36.9	56%	0.558	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-17.6	177.6	23.6	-36.9	0	0	0	115.7	I470 K471	P468-I470 PolarHBondContact O-N 2.97Å; P468-K471 WeakPolarHBondContact O-CE 3.43Å; P468-K471 PolarHBondContact O-NZ 3.42Å
469	N	98.1	Very high	94.1	Very high	22 Å²	22	42 Å²	42	12%	0.118	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-8.1	173.3	-74.6	-17.3	0	0	0	113.6	A432 V438 R439 I440 H467	A432-N469 HydrophobicContact CB-CB 4.1Å; A432-N469 PolarHBondContact O-ND2 2.98Å; V438-N469 WeakPolarHBondContact O-CB 3.16Å; R439-N469 PolarHBondContact NH1-OD1 3.07Å; I440-N469 PolarHBondContact N-O 3.16Å; H467-N469 WeakPolarHBondContact ND1-CB 3.33Å; H467-N469 PolarHBondContact ND1-N 3.32Å; H467-N469 VanDerWaalsContact ND1-N 3.18Å; H467-N469 PolarHBondContact O-N 2.7Å; H467-N469 VanDerWaalsContact O-N 3.15Å
470	I	98.7	Very high	92	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	123.5	176.5	-48.6	-169.8	0	0	0	109.4	L428 A432 I440 L463 L466 H467 P468 V472	L428-I470 HydrophobicContact CB-CD1 4.05Å; A432-I470 HydrophobicContact CB-CD1 4.11Å; A432-I470 HydrophobicContact CB-CG1 3.81Å; I440-I470 HydrophobicContact CB-CB 4.45Å; I440-I470 HydrophobicContact CB-CG1 4.1Å; I440-I470 HydrophobicContact CB-CG2 4.31Å; I440-I470 HydrophobicContact CD1-CD1 4.17Å; I440-I470 HydrophobicContact CD1-CG1 4.13Å; I440-I470 HydrophobicContact CG1-CG1 4.41Å; I440-I470 HydrophobicContact CG2-CG2 4.29Å; I440-I470 CarbonylContact O-C 3.47Å; I440-I470 WeakPolarHBondContact O-CA 3.4Å; L463-I470 HydrophobicContact CB-CG2 4.28Å; L466-I470 HydrophobicContact CB-CD1 3.95Å; L466-I470 HydrophobicContact CD1-CD1 4.1Å; H467-I470 HydrophobicContact CB-CG1 4.31Å; H467-I470 PolarHBondContact O-N 3.14Å; P468-I470 PolarHBondContact O-N 2.97Å; I470-V472 HydrophobicContact CG2-CG2 4.32Å
471	K	98.7	Very high	89.8	Confident	32 Å²	32	46.6 Å²	46.6	14%	0.139	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	126.7	178.8	-59.2	-61.8	167.4	-158.8	0	110.4	I440 F441 V442 P468 W688 S702 Y703	I440-K471 PolarHBondContact O-N 2.93Å; F441-K471 WeakPolarHBondContact CA-O 3.48Å; F441-K471 HydrophobicContact CD1-CB 4.1Å; F441-K471 HydrophobicContact CE1-CB 4.49Å; F441-K471 HydrophobicContact CE1-CG 4.42Å; V442-K471 PolarHBondContact N-O 2.97Å; P468-K471 WeakPolarHBondContact O-CE 3.43Å; P468-K471 PolarHBondContact O-NZ 3.42Å; K471-W688 HydrophobicContact CB-CH2 3.69Å; K471-W688 HydrophobicContact CB-CZ2 4.24Å; K471-S702 VanDerWaalsContact CD-O 3.26Å; K471-S702 WeakPolarHBondContact CD-O 3.43Å; K471-S702 WeakPolarHBondContact CE-O 3.43Å; K471-Y703 HydrophobicContact CB-CD1 4Å; K471-Y703 HydrophobicContact CB-CE1 4.02Å; K471-Y703 HydrophobicContact CD-CE1 4.49Å
472	V	98.8	Very high	87.8	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	119.3	-176.7	-170.9	0	0	0	0	111.4	V442 L444 K460 L463 M464 I470	V442-V472 HydrophobicContact CB-CB 4.43Å; V442-V472 HydrophobicContact CB-CG1 4.14Å; V442-V472 HydrophobicContact CB-CG2 4.07Å; V442-V472 HydrophobicContact CG1-CG1 4.28Å; V442-V472 HydrophobicContact CG2-CG2 4.4Å; V442-V472 CarbonylContact O-C 3.59Å; V442-V472 WeakPolarHBondContact O-CA 3.45Å; L444-V472 HydrophobicContact CD1-CG1 3.93Å; L444-V472 HydrophobicContact CG-CG1 4.1Å; K460-V472 HydrophobicContact CB-CB 4.4Å; K460-V472 HydrophobicContact CB-CG1 3.95Å; K460-V472 HydrophobicContact CD-CB 4.49Å; K460-V472 HydrophobicContact CD-CG1 4.45Å; K460-V472 WeakPolarHBondContact CE-O 3.16Å; K460-V472 HydrophobicContact CG-CB 4.07Å; K460-V472 HydrophobicContact CG-CG1 4.1Å; K460-V472 PolarHBondContact NZ-O 3.23Å; L463-V472 HydrophobicContact CB-CG2 3.84Å; L463-V472 HydrophobicContact CD1-CG2 4.15Å; M464-V472 HydrophobicContact CG-CB 4.04Å; M464-V472 HydrophobicContact CG-CG2 3.78Å; M464-V472 HydrophobicContact SD-CB 4.35Å; I470-V472 HydrophobicContact CG2-CG2 4.32Å
473	M	98.6	Very high	85.9	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	152.2	168.7	-66.8	-161.4	-174.2	0	0	110.9	V442 L444 W688 T691 K692 Y698 Y703	V442-M473 PolarHBondContact O-N 3.14Å; L444-M473 PolarHBondContact N-O 3.16Å; M473-W688 HydrophobicContact CB-CZ3 4.21Å; M473-W688 HydrophobicContact CE-CD2 4.05Å; M473-W688 HydrophobicContact CE-CE3 4.37Å; M473-W688 HydrophobicContact CE-CH2 3.95Å; M473-W688 HydrophobicContact CE-CZ2 3.61Å; M473-W688 HydrophobicContact CE-CZ3 4.33Å; M473-W688 HydrophobicContact CG-CE3 4.14Å; M473-W688 HydrophobicContact CG-CH2 3.91Å; M473-W688 HydrophobicContact CG-CZ3 3.71Å; M473-W688 HydrophobicContact SD-CD2 4.22Å; M473-W688 HydrophobicContact SD-CE3 4.14Å; M473-W688 HydrophobicContact SD-CH2 4.44Å; M473-W688 HydrophobicContact SD-CZ3 4.26Å; M473-T691 HydrophobicContact CB-CG2 4.25Å; M473-T691 HydrophobicContact SD-CG2 3.67Å; M473-K692 HydrophobicContact CE-CB 3.93Å; M473-K692 HydrophobicContact CE-CG 4.39Å; M473-Y698 HydrophobicContact CB-CD2 4.38Å; M473-Y698 HydrophobicContact CB-CE2 3.92Å; M473-Y698 HydrophobicContact CE-CD2 4.2Å; M473-Y698 HydrophobicContact CE-CG 3.91Å; M473-Y698 HydrophobicContact CG-CD1 4.3Å; M473-Y698 HydrophobicContact CG-CD2 3.87Å; M473-Y698 HydrophobicContact CG-CE1 4.33Å; M473-Y698 HydrophobicContact CG-CE2 3.86Å; M473-Y698 HydrophobicContact CG-CG 4.11Å; M473-Y698 HydrophobicContact SD-CD2 3.61Å; M473-Y698 HydrophobicContact SD-CE2 4.12Å; M473-Y698 HydrophobicContact SD-CG 3.94Å; M473-Y703 HydrophobicContact CE-CD1 3.4Å; M473-Y703 VanDerWaalsContact CE-CD1 3.4Å; M473-Y703 HydrophobicContact CE-CE1 4.25Å; M473-Y703 HydrophobicContact CE-CG 3.87Å; M473-Y703 HydrophobicContact CG-CD1 4.01Å; M473-Y703 HydrophobicContact CG-CE1 3.98Å
474	R	97.6	Very high	84.3	Confident	31 Å²	31	49.5 Å²	49.5	12%	0.117	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	131.6	176	-65.2	-156.9	-67.7	148.6	-3.6	108.4	L444 K446 S456 K460 K695 Y698	L444-R474 HydrophobicContact CB-CG 4.38Å; L444-R474 WeakPolarHBondContact O-CA 3.33Å; K446-R474 HydrophobicContact CB-CB 4.06Å; K446-R474 HydrophobicContact CD-CB 4.39Å; S456-R474 WeakPolarHBondContact O-CD 3.37Å; S456-R474 WeakPolarHBondContact OG-CD 3.44Å; S456-R474 PolarHBondContact OG-NH1 3.4Å; K460-R474 HydrophobicContact CB-CG 4.37Å; K460-R474 HydrophobicContact CD-CG 3.94Å; R474-K695 PolarHBondContact O-NZ 3.01Å; R474-Y698 PolarHBondContact N-OH 3.13Å
475	H	94.9	Very high	83.4	Confident	11 Å²	11	49.1 Å²	49.1	5%	0.051	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	147.6	-178.4	-174.1	-87.9	0	0	0	110.3	L444 Y445 K446 H488 T691 W738	L444-H475 PolarHBondContact O-N 2.82Å; Y445-H475 WeakPolarHBondContact CA-O 3.19Å; K446-H475 PolarHBondContact N-O 2.89Å; H475-H488 AromaticContact CE1-NE2 3.77Å; H475-H488 AromaticContact CG-NE2 3.51Å; H475-H488 AromaticContact ND1-CD2 3.68Å; H475-H488 AromaticContact ND1-CE1 3.61Å; H475-H488 AromaticContact ND1-NE2 2.75Å; H475-H488 PolarHBondContact ND1-NE2 3.07Å; H475-H488 PolarHBondContact O-CD2 2.87Å; H475-T691 HydrophobicContact CB-CG2 4.05Å; H475-W738 AromaticContact CE1-CE3 3.84Å; H475-W738 AromaticContact CE1-CZ3 3.93Å; H475-W738 PolarHBondContact CE1-O 3.18Å; H475-W738 VanDerWaalsContact CE1-O 3.25Å; H475-W738 AromaticContact ND1-CZ3 3.99Å
476	P	91.7	Very high	83	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.243	C	C	.	.			cis	-79.4	174.1	0.7	31.8	-32.9	0	0	0	115	K446 V483 W738	K446-P476 VanDerWaalsContact CB-O 3.25Å; K446-P476 WeakPolarHBondContact CB-O 3.46Å; K446-P476 WeakPolarHBondContact CD-O 3.32Å; P476-V483 HydrophobicContact CG-CG1 4.41Å; P476-W738 HydrophobicContact CB-CZ3 4.22Å; P476-W738 HydrophobicContact CG-CZ3 4.09Å
477	D	83.5	Confident	82.8	Confident	37 Å²	37	42.2 Å²	42.2	20%	0.198	24%	0.236	C	C	.	.			trans	-101.3	109.4	160.9	-84.3	-17.8	0	0	0	108.2	K446 V479 S480 S481 K695	K446-D477 WeakPolarHBondContact CD-OD1 3.42Å; K446-D477 IonicContact NZ-OD1 3.89Å; K446-D477 PolarHBondContact NZ-OD1 2.96Å; D477-V479 PolarHBondContact O-N 2.94Å; D477-S480 PolarHBondContact O-N 3.12Å; D477-S480 PolarHBondContact O-OG 3.39Å; D477-S481 WeakPolarHBondContact O-CB 3.37Å; D477-S481 PolarHBondContact O-N 3.07Å; D477-S481 PolarHBondContact O-OG 3.03Å; D477-K695 VanDerWaalsContact CG-CE 3.48Å; D477-K695 IonicContact OD1-NZ 3.73Å; D477-K695 PolarHBondContact OD1-NZ 2.66Å; D477-K695 WeakPolarHBondContact OD2-CE 3.43Å; D477-K695 IonicContact OD2-NZ 3.32Å; D477-K695 PolarHBondContact OD2-NZ 3.27Å
478	H	72.6	Confident	82.8	Confident	19 Å²	19	40.6 Å²	40.6	9%	0.088	23%	0.229	C	C	.	.	H	α-helix	trans	-62.1	-43.6	-169.9	-56.3	-63.6	0	0	0	113.9	K446 E447 S480 S481 V483 Y484	K446-H478 PolarHBondContact O-CE1 2.9Å; K446-H478 PolarHBondContact O-NE2 2.89Å; E447-H478 PolarHBondContact O-NE2 3.42Å; H478-S480 PolarHBondContact O-N 3.28Å; H478-S480 VanDerWaalsContact O-N 3.1Å; H478-S481 PolarHBondContact O-N 2.81Å; H478-V483 PolarHBondContact ND1-O 3.37Å; H478-V483 VanDerWaalsContact ND1-O 3.12Å; H478-Y484 HydrophobicContact CB-CD1 3.84Å; H478-Y484 HydrophobicContact CB-CE1 3.89Å; H478-Y484 WeakPolarHBondContact O-CE1 3.01Å; H478-Y484 PolarHBondContact O-OH 2.87Å
479	V	61.8	Low	82.9	Confident	140 Å²	140	37.3 Å²	37.3	85%	0.848	21%	0.206	S	C	*	.	H	α-helix	trans	-60.9	-25.9	-176.9	-175.5	0	0	0	0	113.1	D477	D477-V479 PolarHBondContact O-N 2.94Å
480	S	53.4	Low	82.8	Confident	101 Å²	101	36.3 Å²	36.3	71%	0.706	20%	0.201	S	C	*	.	H	α-helix	trans	-113.5	-8.6	-174.2	61.8	0	0	0	0	115.3	D477 H478	D477-S480 PolarHBondContact O-N 3.12Å; D477-S480 PolarHBondContact O-OG 3.39Å; H478-S480 PolarHBondContact O-N 3.28Å; H478-S480 VanDerWaalsContact O-N 3.1Å
481	S	52.3	Low	82.8	Confident	30 Å²	30	36.3 Å²	36.3	21%	0.21	20%	0.2	C	C	.	.	H	α-helix	trans	-109.3	-2.6	-165.1	61.2	0	0	0	0	115.8	D477 H478 V483	D477-S481 WeakPolarHBondContact O-CB 3.37Å; D477-S481 PolarHBondContact O-N 3.07Å; D477-S481 PolarHBondContact O-OG 3.03Å; H478-S481 PolarHBondContact O-N 2.81Å; S481-V483 PolarHBondContact O-N 2.88Å
482	S	55.4	Low	82.8	Confident	100 Å²	100	34.9 Å²	34.9	70%	0.699	19%	0.194	S	C	*	.	S	Bend	trans	54.8	0.4	-169.4	59.8	0	0	0	0	115.3
483	V	59.5	Low	82.9	Confident	13 Å²	13	34.9 Å²	34.9	8%	0.079	19%	0.194	C	C	.	.			trans	-100.2	94.5	176.2	-177.3	0	0	0	0	108.8	P476 H478 S481 W486 W738	P476-V483 HydrophobicContact CG-CG1 4.41Å; H478-V483 PolarHBondContact ND1-O 3.37Å; H478-V483 VanDerWaalsContact ND1-O 3.12Å; S481-V483 PolarHBondContact O-N 2.88Å; V483-W486 HydrophobicContact CG1-CB 3.93Å; V483-W486 HydrophobicContact CG1-CG 4.23Å; V483-W738 HydrophobicContact CB-CE3 4.35Å; V483-W738 HydrophobicContact CG1-CD2 4Å; V483-W738 HydrophobicContact CG1-CE3 3.86Å; V483-W738 HydrophobicContact CG1-CH2 4.48Å; V483-W738 HydrophobicContact CG1-CZ3 4.12Å; V483-W738 HydrophobicContact CG2-CB 3.71Å; V483-W738 HydrophobicContact CG2-CD2 4Å; V483-W738 HydrophobicContact CG2-CE3 4.12Å; V483-W738 HydrophobicContact CG2-CG 3.83Å
484	Y	64.3	Low	82.9	Confident	126 Å²	126	34.9 Å²	34.9	49%	0.494	19%	0.194	S	C	.	.	S	Bend	trans	-100.8	-19.1	178.1	-67.9	-82.2	0	0	0	113	H478	H478-Y484 HydrophobicContact CB-CD1 3.84Å; H478-Y484 HydrophobicContact CB-CE1 3.89Å; H478-Y484 WeakPolarHBondContact O-CE1 3.01Å; H478-Y484 PolarHBondContact O-OH 2.87Å
485	L	79.3	Confident	82.9	Confident	53 Å²	53	33.7 Å²	33.7	28%	0.277	19%	0.19	S	C	.	.	S	Bend	trans	-107.8	-27	-166.2	-56	-174.4	0	0	0	114.5	R904 P1056 I1059	L485-R904 PolarHBondContact O-NH1 3.12Å; L485-R904 PolarHBondContact O-NH2 3.33Å; L485-P1056 HydrophobicContact CD1-CG 4.18Å; L485-I1059 HydrophobicContact CD1-CG1 4.1Å; L485-I1059 HydrophobicContact CD2-CD1 3.47Å; L485-I1059 VanDerWaalsContact CD2-CD1 3.47Å; L485-I1059 HydrophobicContact CD2-CG1 3.82Å; L485-I1059 HydrophobicContact CG-CG1 4.38Å
486	W	90.9	Very high	83.1	Confident	42 Å²	42	33.8 Å²	33.8	16%	0.159	19%	0.191	C	C	.	.			trans	-100.7	153.3	-168.6	-42.9	132.3	0	0	0	112.3	V483 W738 R910 D911 E1058	V483-W486 HydrophobicContact CG1-CB 3.93Å; V483-W486 HydrophobicContact CG1-CG 4.23Å; W486-W738 HydrophobicContact CB-CH2 4.16Å; W486-W738 HydrophobicContact CB-CZ2 3.6Å; W486-R910 HydrophobicContact CD2-CB 3.76Å; W486-R910 HydrophobicContact CD2-CG 3.94Å; W486-R910 HydrophobicContact CE3-CB 3.72Å; W486-R910 HydrophobicContact CE3-CG 3.94Å; W486-R910 HydrophobicContact CG-CB 4.25Å; W486-R910 HydrophobicContact CH2-CG 3.8Å; W486-R910 HydrophobicContact CZ2-CG 3.75Å; W486-R910 HydrophobicContact CZ3-CB 4.12Å; W486-R910 HydrophobicContact CZ3-CG 3.88Å; W486-D911 WeakPolarHBondContact CA-OD1 3.32Å; W486-D911 WeakPolarHBondContact CB-OD1 3.48Å; W486-E1058 HydrophobicContact CH2-CB 3.97Å
487	A	94	Very high	83.4	Confident	4 Å²	4	33.8 Å²	33.8	3%	0.033	19%	0.191	C	C	.	.			trans	-121.7	164.3	-176.6	0	0	0	0	0	112.8	Y445 W738 D911 S912	Y445-A487 HydrophobicContact CD1-CB 4.27Å; Y445-A487 HydrophobicContact CD2-CB 3.79Å; Y445-A487 HydrophobicContact CE1-CB 4.09Å; Y445-A487 HydrophobicContact CE2-CB 3.57Å; Y445-A487 HydrophobicContact CG-CB 4.14Å; A487-W738 WeakPolarHBondContact O-CH2 3.41Å; A487-D911 PolarHBondContact N-OD1 2.93Å; A487-D911 VanDerWaalsContact O-CA 3.26Å; A487-D911 WeakPolarHBondContact O-CA 3.43Å; A487-D911 WeakPolarHBondContact O-CB 3.31Å; A487-S912 PolarHBondContact O-N 3.16Å; A487-S912 VanDerWaalsContact O-N 3.09Å
488	H	97.9	Very high	84.1	Confident	3 Å²	3	32.7 Å²	32.7	1%	0.014	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-91.5	113.7	160.7	-67.6	-52.5	0	0	0	107.2	H475 R687 W738 S912	H475-H488 AromaticContact CE1-NE2 3.77Å; H475-H488 AromaticContact CG-NE2 3.51Å; H475-H488 AromaticContact ND1-CD2 3.68Å; H475-H488 AromaticContact ND1-CE1 3.61Å; H475-H488 AromaticContact ND1-NE2 2.75Å; H475-H488 PolarHBondContact ND1-NE2 3.07Å; H475-H488 PolarHBondContact O-CD2 2.87Å; H488-R687 PolarHBondContact CD2-NH2 3.02Å; H488-R687 PolarHBondContact CE1-NH2 2.89Å; H488-R687 PolarHBondContact ND1-NH2 3.01Å; H488-R687 VanDerWaalsContact ND1-NH2 3.11Å; H488-R687 PolarHBondContact NE2-NH2 3.18Å; H488-W738 AromaticContact CE1-CH2 3.8Å; H488-W738 AromaticContact CE1-CZ3 3.67Å; H488-W738 AromaticContact ND1-CH2 3.81Å; H488-S912 WeakPolarHBondContact CA-OG 3.5Å; H488-S912 PolarHBondContact ND1-OG 3.23Å
489	H	98.4	Very high	85.4	Confident	18 Å²	18	32 Å²	32	8%	0.083	18%	0.183	C	C	.	.			trans	-117.4	-4.8	-166.5	-169	-105.3	0	0	0	112.9	W404 K491 S898 D911 S912 E913	W404-H489 AromaticContact CD1-CD2 3.82Å; W404-H489 AromaticContact CG-CD2 3.96Å; H489-K491 WeakPolarHBondContact O-CD 3.28Å; H489-K491 WeakPolarHBondContact O-CE 3.16Å; H489-K491 PolarHBondContact O-NZ 2.63Å; H489-S898 PolarHBondContact CE1-O 2.89Å; H489-S898 PolarHBondContact ND1-O 3.36Å; H489-S898 WeakPolarHBondContact O-CB 3.47Å; H489-D911 HydrophobicContact CB-CB 4.3Å; H489-S912 PolarHBondContact N-O 3.17Å; H489-E913 WeakPolarHBondContact CB-OE2 3.01Å; H489-E913 IonicContact CG-OE1 3.04Å; H489-E913 IonicContact CG-OE2 3.86Å; H489-E913 IonicContact ND1-OE1 3.47Å; H489-E913 PolarHBondContact ND1-OE1 3.33Å; H489-E913 IonicContact ND1-OE2 3.75Å; H489-E913 PolarHBondContact ND1-OE2 3.11Å
490	E	97.6	Very high	87.1	Confident	1 Å²	1	25.3 Å²	25.3	1%	0.005	14%	0.143	C	C	.	.			trans	-67.7	137	174.1	67.4	-89.4	-134.9	0	0	113.6	T402 I492 H683 R687 S912 V914	T402-E490 HydrophobicContact CG2-CG 4.43Å; T402-E490 WeakPolarHBondContact OG1-CG 3.26Å; T402-E490 PolarHBondContact OG1-O 2.89Å; E490-I492 HydrophobicContact CB-CG2 4.48Å; E490-H683 IonicContact OE1-CE1 2.87Å; E490-H683 IonicContact OE1-NE2 3.43Å; E490-H683 PolarHBondContact OE1-NE2 3.36Å; E490-R687 VanDerWaalsContact CD-NH1 3.34Å; E490-R687 VanDerWaalsContact OE1-CD 3.23Å; E490-R687 WeakPolarHBondContact OE1-CD 3.44Å; E490-R687 IonicContact OE1-CZ 3.95Å; E490-R687 IonicContact OE1-NE 2.7Å; E490-R687 PolarHBondContact OE1-NE 3.28Å; E490-R687 IonicContact OE1-NH1 2.71Å; E490-R687 PolarHBondContact OE1-NH1 3.34Å; E490-R687 IonicContact OE1-NH2 2.79Å; E490-S912 PolarHBondContact N-O 3.26Å; E490-S912 PolarHBondContact OE1-OG 3.37Å; E490-S912 VanDerWaalsContact OE2-O 3.05Å; E490-S912 PolarHBondContact OE2-OG 3.39Å; E490-V914 HydrophobicContact CB-CB 4.07Å; E490-V914 HydrophobicContact CB-CG2 3.78Å; E490-V914 HydrophobicContact CG-CG2 4.16Å
491	K	98.6	Very high	89.3	Confident	1 Å²	1	20.5 Å²	20.5	0%	0.004	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	105.7	173.1	-53.9	95.8	171.3	61.1	0	108.7	T402 H489 G503 G504 D506	T402-K491 WeakPolarHBondContact O-CA 3.47Å; H489-K491 WeakPolarHBondContact O-CD 3.28Å; H489-K491 WeakPolarHBondContact O-CE 3.16Å; H489-K491 PolarHBondContact O-NZ 2.63Å; K491-G503 WeakPolarHBondContact CD-O 3.47Å; K491-G504 WeakPolarHBondContact CD-O 3.23Å; K491-G504 WeakPolarHBondContact CE-O 3.43Å; K491-D506 WeakPolarHBondContact CE-OD2 3.33Å; K491-D506 HydrophobicContact CG-CB 4.18Å; K491-D506 VanDerWaalsContact CG-CG 3.45Å; K491-D506 WeakPolarHBondContact CG-OD1 3.26Å; K491-D506 VanDerWaalsContact NZ-CG 3.35Å; K491-D506 IonicContact NZ-OD1 2.87Å; K491-D506 PolarHBondContact NZ-OD1 2.75Å; K491-D506 VanDerWaalsContact NZ-OD1 3.08Å; K491-D506 IonicContact NZ-OD2 3.06Å; K491-D506 PolarHBondContact NZ-OD2 2.81Å
492	I	98.7	Very high	91.5	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.005	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	139.7	-179.9	82.8	-162.3	0	0	0	110.9	I401 T402 E490 V494 F501 V502 V680 F684 V914	I401-I492 CarbonylContact C-O 3.21Å; I401-I492 WeakPolarHBondContact CA-O 3.35Å; T402-I492 HydrophobicContact CG2-CD1 3.58Å; T402-I492 HydrophobicContact CG2-CG1 3.75Å; T402-I492 PolarHBondContact N-O 2.82Å; T402-I492 PolarHBondContact O-N 3.47Å; T402-I492 VanDerWaalsContact O-N 3.08Å; T402-I492 VanDerWaalsContact OG1-CG1 3.29Å; T402-I492 WeakPolarHBondContact OG1-CG1 3.38Å; T402-I492 PolarHBondContact OG1-N 2.85Å; E490-I492 HydrophobicContact CB-CG2 4.48Å; I492-V494 HydrophobicContact CG1-CG2 4.4Å; I492-F501 VanDerWaalsContact CA-O 3.25Å; I492-F501 WeakPolarHBondContact CA-O 3.36Å; I492-V502 HydrophobicContact CG2-CG2 4.26Å; I492-V680 HydrophobicContact CB-CG1 4.12Å; I492-V680 HydrophobicContact CD1-CG1 4.05Å; I492-V680 HydrophobicContact CG1-CG1 4.42Å; I492-V680 HydrophobicContact CG2-CG1 4.16Å; I492-F684 HydrophobicContact CD1-CB 4.14Å; I492-F684 HydrophobicContact CD1-CD2 4.21Å; I492-V914 HydrophobicContact CG2-CB 4.35Å; I492-V914 HydrophobicContact CG2-CG1 4.46Å
493	V	98.9	Very high	93.5	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.006	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	119.8	167.9	-175.8	0	0	0	0	107.6	V388 L392 F400 I401 I495 A500 F501 L507	V388-V493 HydrophobicContact CG1-CG1 4.39Å; V388-V493 HydrophobicContact CG1-CG2 4.5Å; L392-V493 HydrophobicContact CD2-CG1 4.23Å; F400-V493 CarbonylContact O-C 3.5Å; F400-V493 WeakPolarHBondContact O-CA 3.33Å; I401-V493 HydrophobicContact CG1-CG1 4.35Å; V493-I495 HydrophobicContact CG1-CD1 3.88Å; V493-A500 CarbonylContact O-C 3.17Å; V493-A500 WeakPolarHBondContact O-CA 3.4Å; V493-F501 HydrophobicContact CB-CB 4.21Å; V493-F501 HydrophobicContact CB-CD2 4.31Å; V493-F501 PolarHBondContact N-O 3.12Å; V493-F501 VanDerWaalsContact N-O 3.16Å; V493-F501 PolarHBondContact O-N 3.1Å; V493-L507 HydrophobicContact CG2-CD1 3.96Å; V493-L507 HydrophobicContact CG2-CG 4.46Å
494	V	98.9	Very high	95.4	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	127.9	-179.9	-171.6	0	0	0	0	110	I399 F400 I492 V499 A500 V680 A681	I399-V494 CarbonylContact C-O 3.57Å; I399-V494 WeakPolarHBondContact CA-O 3.4Å; F400-V494 HydrophobicContact CB-CB 4.06Å; F400-V494 HydrophobicContact CD2-CB 4.12Å; F400-V494 HydrophobicContact CD2-CG1 4.35Å; F400-V494 HydrophobicContact CG-CB 4.46Å; F400-V494 PolarHBondContact N-O 2.88Å; F400-V494 PolarHBondContact O-N 2.84Å; I492-V494 HydrophobicContact CG1-CG2 4.4Å; V494-V499 CarbonylContact C-O 3.47Å; V494-V499 VanDerWaalsContact CA-O 3.3Å; V494-V499 WeakPolarHBondContact CA-O 3.38Å; V494-A500 HydrophobicContact CG1-CB 4.38Å; V494-A500 HydrophobicContact CG2-CB 4.02Å; V494-V680 HydrophobicContact CG2-CB 4.44Å; V494-V680 HydrophobicContact CG2-CG1 3.79Å; V494-A681 HydrophobicContact CG1-CB 3.96Å
495	I	98.8	Very high	97	Very high	7 Å²	7	7.8 Å²	7.8	4%	0.036	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	123.2	179.8	-59.3	84.5	0	0	0	108.7	A391 A395 V493 Q497 S498 V499 F501	A391-I495 HydrophobicContact CB-CD1 3.75Å; A391-I495 HydrophobicContact CB-CG1 4.06Å; A395-I495 HydrophobicContact CB-CG2 3.61Å; V493-I495 HydrophobicContact CG1-CD1 3.88Å; I495-Q497 PolarHBondContact O-N 3.16Å; I495-S498 PolarHBondContact O-N 2.86Å; I495-V499 HydrophobicContact CB-CB 4.45Å; I495-V499 PolarHBondContact N-O 2.93Å; I495-V499 PolarHBondContact O-N 2.84Å; I495-V499 VanDerWaalsContact O-N 3.16Å; I495-F501 HydrophobicContact CD1-CD2 3.99Å; I495-F501 HydrophobicContact CD1-CE2 3.82Å
496	D	98.3	Very high	97.9	Very high	12 Å²	12	5.3 Å²	5.3	6%	0.064	3%	0.026	C	C	.	.	T	Hydrogen-bonded Turn	trans	49	27.9	176.5	-62.5	-19.4	0	0	0	114.2	K396 E397 E398 S498 K709	K396-D496 PolarHBondContact N-OD1 3.27Å; K396-D496 PolarHBondContact N-OD2 3.33Å; E397-D496 WeakPolarHBondContact CA-OD1 3.28Å; E397-D496 PolarHBondContact N-OD1 3Å; E398-D496 PolarHBondContact N-OD1 3.29Å; E398-D496 PolarHBondContact O-N 2.83Å; D496-S498 PolarHBondContact O-N 2.97Å; D496-S498 VanDerWaalsContact O-N 3.15Å; D496-S498 PolarHBondContact O-OG 3.46Å; D496-K709 PolarHBondContact O-NZ 3.46Å
497	Q	98.4	Very high	98.3	Very high	1 Å²	1	3.3 Å²	3.3	1%	0.005	2%	0.019	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	31.1	-172.4	-45.6	-171	29.1	0	0	113.8	E398 F400 I495 R678 A681 L707 K709	E398-Q497 PolarHBondContact OE2-NE2 2.93Å; F400-Q497 HydrophobicContact CE2-CG 3.74Å; F400-Q497 HydrophobicContact CZ-CG 4.1Å; I495-Q497 PolarHBondContact O-N 3.16Å; Q497-R678 WeakPolarHBondContact O-CG 3.35Å; Q497-R678 PolarHBondContact O-NE 3.36Å; Q497-A681 HydrophobicContact CB-CB 3.89Å; Q497-A681 HydrophobicContact CG-CB 3.95Å; Q497-L707 PolarHBondContact NE2-O 2.91Å; Q497-K709 HydrophobicContact CB-CB 4.48Å; Q497-K709 HydrophobicContact CB-CD 4.14Å; Q497-K709 HydrophobicContact CB-CG 4.25Å; Q497-K709 HydrophobicContact CG-CD 4.48Å; Q497-K709 HydrophobicContact CG-CG 4.33Å
498	S	98.2	Very high	98.5	Very high	14 Å²	14	3.1 Å²	3.1	10%	0.098	2%	0.017	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.9	-23.4	-171.7	-56.3	0	0	0	0	113.3	I495 D496 H673 G674 A677	I495-S498 PolarHBondContact O-N 2.86Å; D496-S498 PolarHBondContact O-N 2.97Å; D496-S498 VanDerWaalsContact O-N 3.15Å; D496-S498 PolarHBondContact O-OG 3.46Å; S498-H673 CarbonylContact O-C 3.56Å; S498-H673 WeakPolarHBondContact O-CA 3.1Å; S498-G674 PolarHBondContact O-N 3.08Å; S498-A677 VanDerWaalsContact O-CB 3.31Å; S498-A677 WeakPolarHBondContact O-CB 3.26Å
499	V	98.8	Very high	98.5	Very high	4 Å²	4	3.3 Å²	3.3	2%	0.024	2%	0.018	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	128.7	170.8	-174.5	0	0	0	0	108.1	V494 I495 F501 V671 Y719 V721	V494-V499 CarbonylContact C-O 3.47Å; V494-V499 VanDerWaalsContact CA-O 3.3Å; V494-V499 WeakPolarHBondContact CA-O 3.38Å; I495-V499 HydrophobicContact CB-CB 4.45Å; I495-V499 PolarHBondContact N-O 2.93Å; I495-V499 PolarHBondContact O-N 2.84Å; I495-V499 VanDerWaalsContact O-N 3.16Å; V499-F501 HydrophobicContact CG1-CD2 4.41Å; V499-F501 HydrophobicContact CG1-CE2 3.84Å; V499-F501 HydrophobicContact CG1-CZ 4.41Å; V499-V671 HydrophobicContact CG1-CG2 3.47Å; V499-V671 VanDerWaalsContact CG1-CG2 3.47Å; V499-Y719 HydrophobicContact CG2-CD1 4.17Å; V499-V721 HydrophobicContact CG1-CG2 4.1Å
500	A	98.9	Very high	98.5	Very high	0 Å²	0	2.4 Å²	2.4	0%	0	1%	0.014	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	122	179.6	0	0	0	0	0	111.6	V493 V494 V671 V672 A677 V680	V493-A500 CarbonylContact O-C 3.17Å; V493-A500 WeakPolarHBondContact O-CA 3.4Å; V494-A500 HydrophobicContact CG1-CB 4.38Å; V494-A500 HydrophobicContact CG2-CB 4.02Å; A500-V671 CarbonylContact O-C 3.57Å; A500-V671 VanDerWaalsContact O-CA 3.3Å; A500-V671 WeakPolarHBondContact O-CA 3.23Å; A500-V672 HydrophobicContact CB-CG2 4.15Å; A500-V672 PolarHBondContact N-O 3Å; A500-V672 PolarHBondContact O-N 3.24Å; A500-A677 HydrophobicContact CB-CB 3.76Å; A500-V680 HydrophobicContact CB-CB 3.76Å; A500-V680 HydrophobicContact CB-CG1 3.99Å; A500-V680 HydrophobicContact CB-CG2 3.97Å
501	F	98.9	Very high	98.5	Very high	0 Å²	0	2.9 Å²	2.9	0%	0	2%	0.015	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	133.2	171.2	-65.3	-96	0	0	0	109.6	Y378 Y384 D387 V388 A391 I492 V493 I495 V499 S670 V671 V721	Y378-F501 HydrophobicContact CE2-CD1 4.21Å; Y378-F501 HydrophobicContact CE2-CE1 4.2Å; Y384-F501 HydrophobicContact CD2-CD1 4.06Å; Y384-F501 HydrophobicContact CE2-CB 3.94Å; Y384-F501 AromaticContact CE2-CD1 3.82Å; Y384-F501 HydrophobicContact CE2-CD1 3.82Å; Y384-F501 HydrophobicContact CE2-CG 4.26Å; D387-F501 HydrophobicContact CB-CE1 4.1Å; D387-F501 HydrophobicContact CB-CZ 4.29Å; V388-F501 HydrophobicContact CG2-CB 4.38Å; V388-F501 HydrophobicContact CG2-CD1 3.56Å; V388-F501 HydrophobicContact CG2-CD2 4Å; V388-F501 HydrophobicContact CG2-CE1 3.69Å; V388-F501 HydrophobicContact CG2-CE2 4.14Å; V388-F501 HydrophobicContact CG2-CG 3.72Å; V388-F501 HydrophobicContact CG2-CZ 3.99Å; A391-F501 HydrophobicContact CB-CE2 3.68Å; A391-F501 HydrophobicContact CB-CZ 3.98Å; I492-F501 VanDerWaalsContact CA-O 3.25Å; I492-F501 WeakPolarHBondContact CA-O 3.36Å; V493-F501 HydrophobicContact CB-CB 4.21Å; V493-F501 HydrophobicContact CB-CD2 4.31Å; V493-F501 PolarHBondContact N-O 3.12Å; V493-F501 VanDerWaalsContact N-O 3.16Å; V493-F501 PolarHBondContact O-N 3.1Å; I495-F501 HydrophobicContact CD1-CD2 3.99Å; I495-F501 HydrophobicContact CD1-CE2 3.82Å; V499-F501 HydrophobicContact CG1-CD2 4.41Å; V499-F501 HydrophobicContact CG1-CE2 3.84Å; V499-F501 HydrophobicContact CG1-CZ 4.41Å; F501-S670 CarbonylContact C-O 3.59Å; F501-S670 VanDerWaalsContact CA-O 3.3Å; F501-S670 WeakPolarHBondContact CA-O 3.44Å; F501-V671 HydrophobicContact CD1-CB 3.79Å; F501-V671 HydrophobicContact CD1-CG2 4.01Å; F501-V671 HydrophobicContact CD2-CG2 4.2Å; F501-V671 HydrophobicContact CE1-CB 3.87Å; F501-V671 HydrophobicContact CE1-CG2 3.94Å; F501-V671 HydrophobicContact CE2-CG2 4.1Å; F501-V671 HydrophobicContact CG-CB 4.3Å; F501-V671 HydrophobicContact CG-CG2 4.15Å; F501-V671 HydrophobicContact CZ-CB 4.41Å; F501-V671 HydrophobicContact CZ-CG2 3.98Å; F501-V721 HydrophobicContact CZ-CG2 3.98Å
502	V	98.9	Very high	98.5	Very high	1 Å²	1	2.8 Å²	2.8	1%	0.006	2%	0.015	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	131.4	-178.6	-179	0	0	0	0	109.3	I492 S670 V680 V914 V916	I492-V502 HydrophobicContact CG2-CG2 4.26Å; V502-S670 PolarHBondContact N-O 3.35Å; V502-S670 PolarHBondContact O-N 3.29Å; V502-S670 PolarHBondContact O-OG 2.88Å; V502-V680 HydrophobicContact CG2-CG1 4.01Å; V502-V680 HydrophobicContact CG2-CG2 3.81Å; V502-V914 HydrophobicContact CG1-CB 4.43Å; V502-V914 HydrophobicContact CG1-CG1 3.9Å; V502-V914 HydrophobicContact CG2-CG1 4.47Å; V502-V916 HydrophobicContact CB-CG1 4.39Å; V502-V916 HydrophobicContact CG1-CG1 4.45Å; V502-V916 HydrophobicContact CG2-CG1 4.36Å
503	G	98.3	Very high	98.5	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	2%	0.015	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.7	-159.1	179	0	0	0	0	0	114.4	K491 G897	K491-G503 WeakPolarHBondContact CD-O 3.47Å; G503-G897 CarbonylContact C-O 3.59Å; G503-G897 CarbonylContact O-C 3.59Å
504	G	97.9	Very high	98.4	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.018	C	C	.	.	S	Bend	trans	-85.6	-11.9	176.5	0	0	0	0	0	114.8	K491 D506 D667 I668 H883 G897	K491-G504 WeakPolarHBondContact CD-O 3.23Å; K491-G504 WeakPolarHBondContact CE-O 3.43Å; G504-D506 PolarHBondContact O-N 3.4Å; G504-D667 WeakPolarHBondContact CA-OD1 3.17Å; G504-I668 PolarHBondContact N-O 3.43Å; G504-H883 PolarHBondContact O-CE1 2.63Å; G504-H883 PolarHBondContact O-ND1 3Å; G504-G897 PolarHBondContact N-O 3.35Å
505	I	98.8	Very high	98.3	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.039	C	C	.	.			trans	-92.3	105.9	-166.5	-51.8	177.9	0	0	0	111.7	Y384 M385 R511 D667 A669	Y384-I505 HydrophobicContact CD1-CB 3.93Å; Y384-I505 HydrophobicContact CD1-CD1 3.9Å; Y384-I505 HydrophobicContact CD1-CG2 3.66Å; Y384-I505 HydrophobicContact CE1-CB 3.71Å; Y384-I505 HydrophobicContact CE1-CG2 3.57Å; Y384-I505 HydrophobicContact CG-CD1 3.98Å; Y384-I505 PolarHBondContact OH-O 2.84Å; M385-I505 HydrophobicContact CE-CG2 3.97Å; I505-R511 HydrophobicContact CG2-CB 3.99Å; I505-R511 HydrophobicContact CG2-CG 4.25Å; I505-D667 HydrophobicContact CD1-CB 4.16Å; I505-D667 HydrophobicContact CG1-CB 3.73Å; I505-D667 WeakPolarHBondContact CG1-OD2 3.41Å; I505-A669 HydrophobicContact CD1-CB 3.94Å; I505-A669 HydrophobicContact CG1-CB 4.26Å
506	D	98.8	Very high	98.2	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.005	6%	0.063	C	C	.	.			trans	-70	151.9	168.2	-68.1	-80.1	0	0	0	111.1	D403 W404 W405 K491 G504 A508 R511	D403-D506 VanDerWaalsContact OD1-CA 3.25Å; D403-D506 WeakPolarHBondContact OD1-CA 3.42Å; W404-D506 WeakPolarHBondContact CB-OD1 3.46Å; W404-D506 PolarHBondContact N-OD1 3.12Å; W405-D506 PolarHBondContact N-OD1 3.36Å; W405-D506 WeakPolarHBondContact O-CB 3.39Å; K491-D506 WeakPolarHBondContact CE-OD2 3.33Å; K491-D506 HydrophobicContact CG-CB 4.18Å; K491-D506 VanDerWaalsContact CG-CG 3.45Å; K491-D506 WeakPolarHBondContact CG-OD1 3.26Å; K491-D506 VanDerWaalsContact NZ-CG 3.35Å; K491-D506 IonicContact NZ-OD1 2.87Å; K491-D506 PolarHBondContact NZ-OD1 2.75Å; K491-D506 VanDerWaalsContact NZ-OD1 3.08Å; K491-D506 IonicContact NZ-OD2 3.06Å; K491-D506 PolarHBondContact NZ-OD2 2.81Å; G504-D506 PolarHBondContact O-N 3.4Å; D506-A508 HydrophobicContact CB-CB 3.94Å; D506-A508 PolarHBondContact O-N 3.15Å; D506-R511 IonicContact OD2-NH2 3.37Å
507	L	98.8	Very high	98.2	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.06	C	C	.	.	S	Bend	trans	-76.7	63	166.7	-63.9	-176.7	0	0	0	111	Y384 V388 I401 D403 L406 S407 I410 L412 L424 V493	Y384-L507 HydrophobicContact CE1-CD2 4.42Å; V388-L507 HydrophobicContact CG1-CD2 4.4Å; I401-L507 HydrophobicContact CG2-CD1 4.45Å; D403-L507 PolarHBondContact OD1-N 3.21Å; L406-L507 WeakPolarHBondContact CA-O 3.44Å; S407-L507 PolarHBondContact N-O 2.85Å; I410-L507 VanDerWaalsContact CD1-C 3.43Å; I410-L507 HydrophobicContact CD1-CB 4.01Å; I410-L507 HydrophobicContact CD1-CD2 4.46Å; L412-L507 HydrophobicContact CD2-CD2 4.04Å; L424-L507 HydrophobicContact CD1-CD1 4.09Å; L424-L507 HydrophobicContact CD2-CB 4.03Å; L424-L507 HydrophobicContact CD2-CD1 4.04Å; V493-L507 HydrophobicContact CG2-CD1 3.96Å; V493-L507 HydrophobicContact CG2-CG 4.46Å
508	A	98.4	Very high	98.1	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.068	C	C	.	.	S	Bend	trans	-133.2	166.6	-172.2	0	0	0	0	0	114.3	W405 D506	W405-A508 HydrophobicContact CB-CB 4.45Å; W405-A508 HydrophobicContact CD2-CB 3.9Å; W405-A508 HydrophobicContact CE3-CB 3.79Å; W405-A508 HydrophobicContact CG-CB 4.22Å; W405-A508 HydrophobicContact CZ3-CB 4.33Å; W405-A508 WeakPolarHBondContact O-CB 3.43Å; D506-A508 HydrophobicContact CB-CB 3.94Å; D506-A508 PolarHBondContact O-N 3.15Å
509	Y	98	Very high	98.1	Very high	7 Å²	7	14.4 Å²	14.4	3%	0.027	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	142	172.9	-66.1	-52.7	0	0	0	112.4	W405 S407 E409 I410 R511 K634 D635 L647 P650	W405-Y509 HydrophobicContact CH2-CD2 4.02Å; W405-Y509 AromaticContact CZ2-CD2 3.85Å; W405-Y509 HydrophobicContact CZ2-CD2 3.85Å; S407-Y509 WeakPolarHBondContact OG-CD2 3.07Å; S407-Y509 WeakPolarHBondContact OG-CE2 2.89Å; S407-Y509 PolarHBondContact OG-N 3.44Å; E409-Y509 PolarHBondContact OE2-OH 3.23Å; E409-Y509 VanDerWaalsContact OE2-OH 3.07Å; I410-Y509 HydrophobicContact CG2-CD1 3.65Å; I410-Y509 HydrophobicContact CG2-CE1 3.74Å; I410-Y509 HydrophobicContact CG2-CG 4.4Å; Y509-R511 VanDerWaalsContact C-N 3.27Å; Y509-R511 VanDerWaalsContact O-CD 3.29Å; Y509-R511 WeakPolarHBondContact O-CD 3.3Å; Y509-R511 PolarHBondContact O-N 3.08Å; Y509-R511 PolarHBondContact O-NH1 3.16Å; Y509-K634 HydrophobicContact CD1-CB 4.27Å; Y509-K634 HydrophobicContact CD2-CB 3.9Å; Y509-K634 HydrophobicContact CE1-CB 4.27Å; Y509-K634 HydrophobicContact CE2-CB 3.92Å; Y509-K634 HydrophobicContact CG-CB 4.12Å; Y509-D635 VanDerWaalsContact CA-OD1 3.28Å; Y509-D635 WeakPolarHBondContact CA-OD1 3.29Å; Y509-D635 HydrophobicContact CD1-CB 3.71Å; Y509-D635 HydrophobicContact CE1-CB 4.38Å; Y509-L647 HydrophobicContact CD2-CD2 4.1Å; Y509-L647 HydrophobicContact CE2-CD2 4.12Å; Y509-P650 WeakPolarHBondContact OH-CB 3.42Å
510	G	96.8	Very high	97.9	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	-7.5	174.5	0	0	0	0	0	116	D635 C637 W665	G510-D635 PolarHBondContact N-OD1 2.79Å; G510-C637 WeakPolarHBondContact CA-SG 3.27Å; G510-W665 VanDerWaalsContact O-CB 3.29Å; G510-W665 WeakPolarHBondContact O-CB 3.49Å
511	R	98.3	Very high	97.5	Very high	10 Å²	10	16.7 Å²	16.7	4%	0.038	8%	0.078	C	C	.	.			trans	-83.8	-24.6	-176.4	-86.9	58.5	171.6	-152.6	-2.9	113.7	M385 I505 D506 Y509 D513 W665	M385-R511 HydrophobicContact CE-CB 3.69Å; I505-R511 HydrophobicContact CG2-CB 3.99Å; I505-R511 HydrophobicContact CG2-CG 4.25Å; D506-R511 IonicContact OD2-NH2 3.37Å; Y509-R511 VanDerWaalsContact C-N 3.27Å; Y509-R511 VanDerWaalsContact O-CD 3.29Å; Y509-R511 WeakPolarHBondContact O-CD 3.3Å; Y509-R511 PolarHBondContact O-N 3.08Å; Y509-R511 PolarHBondContact O-NH1 3.16Å; R511-D513 PolarHBondContact O-N 2.94Å; R511-W665 HydrophobicContact CG-CD2 4.35Å; R511-W665 HydrophobicContact CG-CZ2 3.87Å; R511-W665 VanDerWaalsContact NE-CZ2 3.33Å
512	W	98.4	Very high	96.8	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.087	C	C	.	.			trans	-71.9	123.7	175.3	-171.7	96.7	0	0	0	109.1	K382 M385 R414 F630 W631	K382-W512 HydrophobicContact CB-CZ2 4.07Å; K382-W512 HydrophobicContact CD-CZ2 4.04Å; K382-W512 HydrophobicContact CG-CZ2 3.87Å; M385-W512 HydrophobicContact CE-CB 4.21Å; M385-W512 HydrophobicContact SD-CB 3.86Å; M385-W512 HydrophobicContact SD-CG 4.21Å; R414-W512 HydrophobicContact CB-CH2 4.21Å; R414-W512 HydrophobicContact CB-CZ2 3.65Å; R414-W512 VanDerWaalsContact CD-CD2 3.43Å; R414-W512 VanDerWaalsContact CD-CE2 3.5Å; R414-W512 HydrophobicContact CG-CD2 4.19Å; R414-W512 HydrophobicContact CG-CG 4.49Å; R414-W512 HydrophobicContact CG-CZ2 4.08Å; R414-W512 VanDerWaalsContact NE-CG 3.3Å; W512-F630 HydrophobicContact CH2-CB 4.45Å; W512-F630 AromaticContact CH2-CD1 3.33Å; W512-F630 HydrophobicContact CH2-CD1 3.33Å; W512-F630 AromaticContact CH2-CE1 3.86Å; W512-F630 HydrophobicContact CH2-CE1 3.86Å; W512-F630 HydrophobicContact CH2-CG 4.18Å; W512-F630 HydrophobicContact CZ2-CD1 4.17Å; W512-F630 HydrophobicContact CZ3-CB 3.98Å; W512-F630 AromaticContact CZ3-CD1 3.74Å; W512-F630 HydrophobicContact CZ3-CD1 3.74Å; W512-F630 HydrophobicContact CZ3-CG 4.15Å; W512-W631 AromaticContact CE3-CE2 3.71Å; W512-W631 AromaticContact CE3-CZ2 3.71Å; W512-W631 HydrophobicContact CE3-CZ2 3.71Å; W512-W631 AromaticContact CE3-NE1 3.7Å; W512-W631 AromaticContact CZ3-CE2 3.93Å; W512-W631 HydrophobicContact CZ3-CH2 4.01Å; W512-W631 AromaticContact CZ3-CZ2 3.57Å; W512-W631 HydrophobicContact CZ3-CZ2 3.57Å; W512-W631 PolarHBondContact O-NE1 3.43Å
513	D	98.5	Very high	95.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.098	C	C	.	.			trans	-155.9	163.3	171.6	-143.2	-27.4	0	0	0	108.7	N380 G381 K382 R511 H517 R662 P664 W665	N380-D513 WeakPolarHBondContact CB-O 3.38Å; G381-D513 PolarHBondContact N-O 2.82Å; K382-D513 WeakPolarHBondContact CB-O 3.28Å; K382-D513 PolarHBondContact N-O 3.43Å; R511-D513 PolarHBondContact O-N 2.94Å; D513-H517 IonicContact OD1-ND1 3.19Å; D513-H517 IonicContact OD2-ND1 3.31Å; D513-H517 PolarHBondContact OD2-ND1 3.22Å; D513-R662 IonicContact OD1-NH1 3.04Å; D513-R662 IonicContact OD2-CZ 2.73Å; D513-R662 VanDerWaalsContact OD2-CZ 3.29Å; D513-R662 IonicContact OD2-NH1 3.76Å; D513-R662 PolarHBondContact OD2-NH1 2.84Å; D513-R662 IonicContact OD2-NH2 3.23Å; D513-R662 PolarHBondContact OD2-NH2 3.45Å; D513-P664 VanDerWaalsContact OD2-CA 3.23Å; D513-P664 WeakPolarHBondContact OD2-CA 3.42Å; D513-P664 WeakPolarHBondContact OD2-CB 3.32Å; D513-W665 HydrophobicContact CB-CB 4.34Å; D513-W665 VanDerWaalsContact CB-O 3.24Å; D513-W665 WeakPolarHBondContact CB-O 3.49Å; D513-W665 PolarHBondContact OD2-N 3.16Å
514	D	97.7	Very high	93.2	Very high	14 Å²	14	22 Å²	22	8%	0.075	12%	0.117	C	C	.	.			trans	-122.4	-177.2	173.1	67.1	27	0	0	0	110.9	N380 K382 E516 H517 R518	N380-D514 PolarHBondContact ND2-O 2.79Å; K382-D514 HydrophobicContact CB-CB 4.01Å; K382-D514 HydrophobicContact CD-CB 3.7Å; K382-D514 HydrophobicContact CG-CB 4.49Å; D514-E516 PolarHBondContact O-N 3.34Å; D514-E516 VanDerWaalsContact O-N 3.1Å; D514-E516 VanDerWaalsContact OD1-CB 3.29Å; D514-E516 WeakPolarHBondContact OD1-CB 3.06Å; D514-E516 PolarHBondContact OD1-N 3.45Å; D514-H517 PolarHBondContact O-N 2.85Å; D514-H517 PolarHBondContact O-ND1 3.04Å; D514-R518 IonicContact OD1-CZ 2.68Å; D514-R518 IonicContact OD1-NH1 3.57Å; D514-R518 PolarHBondContact OD1-NH1 2.99Å; D514-R518 IonicContact OD1-NH2 3.7Å; D514-R518 IonicContact OD2-CZ 3.18Å; D514-R518 VanDerWaalsContact OD2-CZ 3.23Å; D514-R518 IonicContact OD2-NH1 2.73Å; D514-R518 PolarHBondContact OD2-NH1 2.87Å; D514-R518 IonicContact OD2-NH2 3.96Å; D514-R518 PolarHBondContact OD2-NH2 3.45Å
515	K	96.7	Very high	90.2	Very high	103 Å²	103	26.8 Å²	26.8	45%	0.448	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-14.2	-177.5	68.1	178.9	-175.2	177.5	0	114.5	T949	K515-T949 HydrophobicContact CB-CG2 4.44Å
516	E	96.4	Very high	87	Confident	112 Å²	112	31.7 Å²	31.7	52%	0.523	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-22.2	179	-61.4	-177.6	-168	0	0	112.4	D514 R518	D514-E516 PolarHBondContact O-N 3.34Å; D514-E516 VanDerWaalsContact O-N 3.1Å; D514-E516 VanDerWaalsContact OD1-CB 3.29Å; D514-E516 WeakPolarHBondContact OD1-CB 3.06Å; D514-E516 PolarHBondContact OD1-N 3.45Å; E516-R518 VanDerWaalsContact C-N 3.3Å; E516-R518 HydrophobicContact CB-CG 3.94Å; E516-R518 PolarHBondContact O-N 3.19Å; E516-R518 IonicContact OE1-NH1 3.46Å; E516-R518 WeakPolarHBondContact OE2-CD 3.32Å; E516-R518 IonicContact OE2-CZ 3.46Å; E516-R518 IonicContact OE2-NE 2.75Å; E516-R518 IonicContact OE2-NH1 3.61Å; E516-R518 PolarHBondContact OE2-NH1 2.5Å
517	H	98.1	Very high	83.6	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.005	22%	0.216	C	C	.	.			trans	49.2	49.8	179.9	-71.2	-54.1	0	0	0	112.9	N380 D513 D514 P664 W665 H666 I880 F1030	N380-H517 PolarHBondContact ND2-CE1 2.95Å; N380-H517 PolarHBondContact ND2-NE2 3.41Å; N380-H517 PolarHBondContact OD1-CE1 2.92Å; N380-H517 VanDerWaalsContact OD1-CE1 3.26Å; D513-H517 IonicContact OD1-ND1 3.19Å; D513-H517 IonicContact OD2-ND1 3.31Å; D513-H517 PolarHBondContact OD2-ND1 3.22Å; D514-H517 PolarHBondContact O-N 2.85Å; D514-H517 PolarHBondContact O-ND1 3.04Å; H517-P664 HydrophobicContact CB-CB 3.72Å; H517-P664 HydrophobicContact CB-CG 4.12Å; H517-P664 VanDerWaalsContact O-CG 3.27Å; H517-P664 WeakPolarHBondContact O-CG 3.26Å; H517-W665 PolarHBondContact CE1-O 3.09Å; H517-H666 AromaticContact CE1-ND1 3.7Å; H517-H666 AromaticContact NE2-ND1 3.27Å; H517-H666 PolarHBondContact NE2-ND1 3.18Å; H517-I880 HydrophobicContact CB-CD1 3.77Å; H517-I880 HydrophobicContact CB-CG1 4.02Å; H517-F1030 HydrophobicContact CB-CZ 4.39Å; H517-F1030 AromaticContact CD2-CE2 3.73Å
518	R	96.9	Very high	80.3	Confident	47 Å²	47	47.3 Å²	47.3	18%	0.177	25%	0.251	C	S	.	.			trans	-61.5	137.6	-173.6	-64.3	179.9	-74.3	-83.5	-7.8	111.9	D514 E516 W631 R662	D514-R518 IonicContact OD1-CZ 2.68Å; D514-R518 IonicContact OD1-NH1 3.57Å; D514-R518 PolarHBondContact OD1-NH1 2.99Å; D514-R518 IonicContact OD1-NH2 3.7Å; D514-R518 IonicContact OD2-CZ 3.18Å; D514-R518 VanDerWaalsContact OD2-CZ 3.23Å; D514-R518 IonicContact OD2-NH1 2.73Å; D514-R518 PolarHBondContact OD2-NH1 2.87Å; D514-R518 IonicContact OD2-NH2 3.96Å; D514-R518 PolarHBondContact OD2-NH2 3.45Å; E516-R518 VanDerWaalsContact C-N 3.3Å; E516-R518 HydrophobicContact CB-CG 3.94Å; E516-R518 PolarHBondContact O-N 3.19Å; E516-R518 IonicContact OE1-NH1 3.46Å; E516-R518 WeakPolarHBondContact OE2-CD 3.32Å; E516-R518 IonicContact OE2-CZ 3.46Å; E516-R518 IonicContact OE2-NE 2.75Å; E516-R518 IonicContact OE2-NH1 3.61Å; E516-R518 PolarHBondContact OE2-NH1 2.5Å; R518-W631 HydrophobicContact CB-CH2 4Å; R518-W631 HydrophobicContact CB-CZ3 4.27Å; R518-R662 WeakPolarHBondContact O-CD 3.24Å; R518-R662 WeakPolarHBondContact O-CG 3.25Å; R518-R662 PolarHBondContact O-NH1 3.24Å
519	L	97.3	Very high	77	Confident	2 Å²	2	53.4 Å²	53.4	1%	0.01	29%	0.288	C	S	.	.	S	Bend	trans	-87.5	-20.2	175.5	-63.9	-169.4	0	0	0	113.9	Y636 P661 R662 P664 T867 A869 V876 E878	L519-Y636 PolarHBondContact O-OH 2.96Å; L519-P661 HydrophobicContact CB-CB 3.94Å; L519-P661 WeakPolarHBondContact O-CA 3.37Å; L519-R662 PolarHBondContact O-N 3.46Å; L519-P664 HydrophobicContact CD2-CG 3.52Å; L519-T867 HydrophobicContact CD1-CG2 4.1Å; L519-T867 HydrophobicContact CD2-CG2 3.54Å; L519-T867 HydrophobicContact CG-CG2 3.75Å; L519-A869 HydrophobicContact CB-CB 3.92Å; L519-A869 HydrophobicContact CD1-CB 4.06Å; L519-A869 HydrophobicContact CG-CB 4.24Å; L519-V876 HydrophobicContact CD1-CG2 4.27Å; L519-E878 HydrophobicContact CD1-CB 4.38Å; L519-E878 HydrophobicContact CD2-CB 3.8Å
520	T	94.6	Very high	73.8	Confident	40 Å²	40	57.2 Å²	57.2	25%	0.245	32%	0.32	C	S	.	.			trans	-126.8	146.1	-170.5	64.6	0	0	0	0	111.4	A869 L871	T520-A869 HydrophobicContact CG2-CB 4.32Å; T520-L871 HydrophobicContact CG2-CB 3.84Å; T520-L871 HydrophobicContact CG2-CD1 3.78Å; T520-L871 HydrophobicContact CG2-CG 4.26Å
521	D	91.8	Very high	70.7	Confident	13 Å²	13	65.3 Å²	65.3	7%	0.07	36%	0.363	C	S	.	.			trans	-153.9	56.6	177	-172.5	35.6	0	0	0	110.3	G523 R629 F630 W631 Y636 R657	D521-G523 VanDerWaalsContact C-N 3.28Å; D521-R629 WeakPolarHBondContact OD1-CA 3.38Å; D521-F630 PolarHBondContact OD1-N 2.98Å; D521-F630 VanDerWaalsContact OD1-N 3.11Å; D521-F630 PolarHBondContact OD2-N 3.43Å; D521-W631 HydrophobicContact CB-CE3 3.64Å; D521-W631 HydrophobicContact CB-CZ3 4.08Å; D521-W631 PolarHBondContact OD2-N 3.19Å; D521-Y636 HydrophobicContact CB-CD2 3.96Å; D521-Y636 HydrophobicContact CB-CE2 3.91Å; D521-R657 PolarHBondContact O-NH1 3.03Å; D521-R657 IonicContact OD2-NH1 2.8Å; D521-R657 PolarHBondContact OD2-NH1 3.18Å
522	V	82.8	Confident	67.6	Low	31 Å²	31	73.2 Å²	73.2	19%	0.188	40%	0.4	C	S	.	.			trans	-74.6	-19.1	-178.6	-67.9	0	0	0	0	112.6	Y658 L871	V522-Y658 HydrophobicContact CB-CD1 4.49Å; V522-Y658 HydrophobicContact CB-CE1 4.18Å; V522-Y658 HydrophobicContact CG1-CD1 4.02Å; V522-Y658 HydrophobicContact CG1-CE1 4.19Å; V522-L871 HydrophobicContact CG1-CD1 3.96Å
523	G	68.6	Low	64.4	Low	24 Å²	24	81.9 Å²	81.9	25%	0.247	44%	0.441	C	S	.	.			trans	69.1	151.8	-172.6	0	0	0	0	0	112	D521	D521-G523 VanDerWaalsContact C-N 3.28Å
524	S	54.2	Low	61.2	Low	57 Å²	57	86.4 Å²	86.4	40%	0.399	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	117.8	172.4	-60.7	0	0	0	0	110	G626 N627	S524-G626 CarbonylContact O-C 3.52Å; S524-G626 VanDerWaalsContact O-CA 3.26Å; S524-G626 WeakPolarHBondContact O-CA 3.35Å; S524-N627 PolarHBondContact O-N 3.31Å
525	V	35.6	Very low	57.9	Low	101 Å²	101	91.5 Å²	91.5	61%	0.612	52%	0.515	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.6	100.4	151.8	176.8	0	0	0	0	105.2	L624	V525-L624 HydrophobicContact CG1-CD2 3.65Å
526	T	31.5	Very low	54.7	Low	102 Å²	102	92.4 Å²	92.4	63%	0.626	53%	0.534	S	S	*	.			trans	-85.6	113.7	168.6	24.2	0	0	0	0	108	S528	T526-S528 PolarHBondContact O-N 3.33Å; T526-S528 VanDerWaalsContact O-N 3.16Å
527	R	26.9	Very low	51.5	Low	226 Å²	226	91.8 Å²	91.8	85%	0.853	55%	0.548	S	S	*	.			trans	-61.5	115	162.6	-115.1	-178.3	169.7	-177.1	-3.4	106.6	V529	R527-V529 PolarHBondContact O-N 2.79Å
528	S	28	Very low	48.3	Very low	104 Å²	104	97.3 Å²	97.3	73%	0.727	59%	0.587	S	S	*	*			trans	-62.5	102.9	169.3	43.4	0	0	0	0	108.2	T526 A530	T526-S528 PolarHBondContact O-N 3.33Å; T526-S528 VanDerWaalsContact O-N 3.16Å; S528-A530 PolarHBondContact O-N 3.33Å
529	V	30.8	Very low	45.1	Very low	128 Å²	128	99.3 Å²	99.3	78%	0.776	61%	0.614	S	S	*	*			trans	-77.2	110.9	158.7	-170.9	0	0	0	0	104.5	R527 L531	R527-V529 PolarHBondContact O-N 2.79Å; V529-L531 PolarHBondContact O-N 3.17Å
530	A	29.8	Very low	41.8	Very low	86 Å²	86	104.8 Å²	104.8	71%	0.711	65%	0.652	S	S	*	*			trans	-55.5	108.2	176.3	0	0	0	0	0	109.4	S528	S528-A530 PolarHBondContact O-N 3.33Å
531	L	32.9	Very low	38.7	Very low	170 Å²	170	107.7 Å²	107.7	89%	0.89	68%	0.68	S	S	*	*			trans	-96.2	86.8	156.6	-107.2	142.8	0	0	0	105.5	V529 Q533	V529-L531 PolarHBondContact O-N 3.17Å; L531-Q533 PolarHBondContact O-N 3.48Å
532	E	31.6	Very low	35.4	Very low	176 Å²	176	112.4 Å²	112.4	82%	0.822	71%	0.714	S	S	*	*			trans	-67.9	101.4	166	-82.4	-175.6	163.4	0	0	109
533	Q	32.4	Very low	33.6	Very low	183 Å²	183	116.2 Å²	116.2	86%	0.855	74%	0.739	S	S	*	*			trans	40.1	109.6	133.7	-70.2	178.9	-13.4	0	0	118.5	L531	L531-Q533 PolarHBondContact O-N 3.48Å
534	A	29.7	Very low	32.5	Very low	94 Å²	94	120 Å²	120	78%	0.777	76%	0.759	S	S	*	*			trans	-75.2	143.5	145.2	0	0	0	0	0	110.9
535	S	30	Very low	31.1	Very low	122 Å²	122	122.2 Å²	122.2	85%	0.853	78%	0.775	S	S	*	*			trans	89.6	96.6	159.1	75	0	0	0	0	119.2
536	S	29.4	Very low	30.8	Very low	121 Å²	121	122.9 Å²	122.9	85%	0.846	78%	0.784	S	S	*	*				-154	134.9	125.7	57.7	0	0	0	0	112.5
537	A	29.7	Very low	30.6	Very low	99 Å²	99	123.6 Å²	123.6	82%	0.818	78%	0.784	S	S	*	*			trans	71.1	112.8	152.6	0	0	0	0	0	121.8
538	S	29	Very low	30.8	Very low	118 Å²	118	121.8 Å²	121.8	83%	0.825	78%	0.782	S	S	*	*			trans	-60.2	138.3	156	50.8	0	0	0	0	114.3
539	A	30.4	Very low	30.7	Very low	89 Å²	89	119.8 Å²	119.8	74%	0.736	78%	0.778	S	S	*	*				176.4	130.5	123.3	0	0	0	0	0	113.1
540	S	29	Very low	30.5	Very low	117 Å²	117	120.2 Å²	120.2	82%	0.818	78%	0.781	S	S	*	*			trans	69.8	121.7	144.4	62	0	0	0	0	123
541	A	27.9	Very low	30.4	Very low	100 Å²	100	121.2 Å²	121.2	83%	0.826	78%	0.783	S	S	*	*			trans	90.9	98.2	138.5	0	0	0	0	0	119.2
542	S	23.8	Very low	30.2	Very low	112 Å²	112	117.4 Å²	117.4	78%	0.783	78%	0.776	S	S	*	*			trans	-79.4	-176.2	149.9	55.8	0	0	0	0	110.2
543	P	43.7	Very low	30.1	Very low	111 Å²	111	114.8 Å²	114.8	72%	0.721	77%	0.772	S	S	*	*			cis	-141.6	-144.4	-1.4	45.4	-24	0	0	0	111.2
544	P	45.4	Very low	29.9	Very low	103 Å²	103	113.7 Å²	113.7	67%	0.669	77%	0.766	S	S	*	*			cis	-133.4	169.6	-30.7	33.1	-13.6	0	0	0	115.9
545	S	26.2	Very low	29.9	Very low	104 Å²	104	115 Å²	115	73%	0.727	76%	0.76	S	S	*	*			trans	90.1	147.6	131.1	68.9	0	0	0	0	124.3
546	S	28.3	Very low	30.1	Very low	116 Å²	116	114.8 Å²	114.8	81%	0.811	75%	0.753	S	S	*	*			trans	94.7	136.3	155.5	77.7	0	0	0	0	115.6
547	D	28.1	Very low	31	Very low	116 Å²	116	114.4 Å²	114.4	62%	0.62	75%	0.748	S	S	*	*			cis	-178.9	152.1	-8.8	-164	11.1	0	0	0	105.4
548	K	30.8	Very low	31.3	Very low	188 Å²	188	118.3 Å²	118.3	82%	0.817	75%	0.749	S	S	*	*			trans	57.9	150.7	159.1	-69	154.5	-175.4	150.8	0	118.5
549	G	26.5	Very low	31.3	Very low	62 Å²	62	117.6 Å²	117.6	64%	0.639	74%	0.744	S	S	*	*			cis	145.6	111.7	12.6	0	0	0	0	0	108.3
550	V	26.6	Very low	31.5	Very low	138 Å²	138	121.4 Å²	121.4	84%	0.836	75%	0.752	S	S	*	*			trans	60.1	112.9	132.6	-168.4	0	0	0	0	120.7
551	S	26.7	Very low	31.6	Very low	106 Å²	106	119.2 Å²	119.2	74%	0.741	75%	0.749	S	S	*	*			trans	73.8	119	133.1	-57.1	0	0	0	0	124.1
552	A	29	Very low	31.8	Very low	90 Å²	90	123.1 Å²	123.1	74%	0.744	76%	0.755	S	S	*	*				57.9	135.6	118.7	0	0	0	0	0	121.7
553	V	28.7	Very low	32	Very low	122 Å²	122	121.3 Å²	121.3	74%	0.739	75%	0.753	S	S	*	*				153	130.1	120.4	163.2	0	0	0	0	113.8
554	H	29.5	Very low	31.5	Very low	160 Å²	160	122.7 Å²	122.7	74%	0.741	76%	0.76	S	S	*	*			trans	41.6	152	148.9	-69	-61.8	0	0	0	121.9
555	D	29.8	Very low	31.4	Very low	120 Å²	120	123.9 Å²	123.9	64%	0.642	77%	0.767	S	S	*	*			cis	-167.8	140.3	0.3	-105.4	-21.1	0	0	0	110.7
556	V	34.3	Very low	31.7	Very low	118 Å²	118	125.1 Å²	125.1	72%	0.715	77%	0.771	S	S	*	*				37.5	142.9	125.7	-159.9	0	0	0	0	121.4
557	P	46.8	Very low	32.7	Very low	114 Å²	114	124.8 Å²	124.8	74%	0.74	77%	0.766	S	S	*	*				-143.3	140.3	84.9	28.6	-5.6	0	0	0	119.6
558	Q	36.2	Very low	32.8	Very low	181 Å²	181	127.1 Å²	127.1	85%	0.846	78%	0.778	S	S	*	*			trans	59.7	143.1	136.1	-65.4	-180	-10	0	0	121.1
559	S	30.5	Very low	32.7	Very low	103 Å²	103	122.8 Å²	122.8	72%	0.72	78%	0.778	S	S	*	*			cis	-166.6	143.7	17.4	52	0	0	0	0	114
560	N	33.6	Very low	32.9	Very low	168 Å²	168	124.3 Å²	124.3	90%	0.898	79%	0.785	S	S	*	*			trans	40	141.8	142.1	-57.7	-11.1	0	0	0	123.4
561	G	30.2	Very low	33	Very low	72 Å²	72	126.9 Å²	126.9	74%	0.742	79%	0.787	S	S	*	*			cis	-176.1	174.5	9.6	0	0	0	0	0	117.1
562	L	32.5	Very low	33.4	Very low	182 Å²	182	129.1 Å²	129.1	95%	0.953	79%	0.79	S	S	*	*			trans	-27	161.1	178.5	-82.5	66.6	0	0	0	120.9
563	G	28.4	Very low	33.7	Very low	73 Å²	73	131.1 Å²	131.1	75%	0.753	80%	0.795	S	S	*	*			cis	175.7	167.1	9	0	0	0	0	0	113.3
564	T	33.6	Very low	33.6	Very low	141 Å²	141	134 Å²	134	87%	0.865	80%	0.798	S	S	*	*			trans	-97.4	163.6	176.6	32.9	0	0	0	0	111.5
565	P	43.2	Very low	33.6	Very low	127 Å²	127	132.7 Å²	132.7	83%	0.825	80%	0.796	S	S	*	*				-156.8	178.5	74.7	37.5	-12.5	0	0	0	118.6
566	T	31.9	Very low	33.5	Very low	131 Å²	131	136 Å²	136	80%	0.804	81%	0.805	S	S	*	*			trans	-73.1	-168.3	174.4	51.9	0	0	0	0	114.1
567	P	50.1	Low	33.2	Very low	109 Å²	109	133.8 Å²	133.8	71%	0.708	81%	0.805	S	S	*	*			cis	-139.4	178.5	-9.1	34.6	-11.2	0	0	0	117.6
568	D	29.4	Very low	32.3	Very low	164 Å²	164	135.3 Å²	135.3	88%	0.877	81%	0.812	S	S	*	*			trans	63.2	144.6	147	-80.4	-13.9	0	0	0	127.6
569	A	28.5	Very low	31.9	Very low	98 Å²	98	130.3 Å²	130.3	81%	0.81	81%	0.81	S	S	*	*			trans	105.5	117.6	146.3	0	0	0	0	0	122
570	A	31.2	Very low	31.8	Very low	94 Å²	94	137.1 Å²	137.1	78%	0.777	82%	0.82	S	S	*	*			trans	28.8	132.7	140.9	0	0	0	0	0	123.2
571	E	28	Very low	31.6	Very low	192 Å²	192	134.6 Å²	134.6	90%	0.897	82%	0.815	S	S	*	*				162.1	143.9	110.6	-88.9	-166	158	0	0	113.3
572	L	35.2	Very low	31.4	Very low	153 Å²	153	143 Å²	143	80%	0.801	82%	0.824	S	S	*	*			trans	-67.6	159.9	163.5	-80.2	153.3	0	0	0	110.6
573	P	35.2	Very low	31.1	Very low	131 Å²	131	142.4 Å²	142.4	85%	0.851	82%	0.819	S	S	*	*				-145.9	179	104.5	33.8	-14.8	0	0	0	116
574	K	28	Very low	30.9	Very low	183 Å²	183	144.1 Å²	144.1	80%	0.796	81%	0.814	S	S	*	*			trans	-109.3	163.8	-157.9	-109.6	178.7	-174.3	172.4	0	111.4
575	L	29.2	Very low	30.5	Very low	132 Å²	132	148.1 Å²	148.1	69%	0.691	81%	0.813	S	S	*	*			trans	101.1	116.9	139.5	-72.7	152.9	0	0	0	123
576	K	27.8	Very low	29.5	Very low	191 Å²	191	151.4 Å²	151.4	83%	0.83	82%	0.815	S	S	*	*				90.5	134.4	117.2	-96.2	178	-166.9	172.1	0	124.4
577	G	27.7	Very low	29.2	Very low	71 Å²	71	149.3 Å²	149.3	73%	0.732	81%	0.806	S	S	*	*			trans	153.9	80.9	145.7	0	0	0	0	0	113.2
578	V	28.1	Very low	28.1	Very low	145 Å²	145	151.2 Å²	151.2	88%	0.879	81%	0.809	S	S	*	*				59.7	120.6	94.4	-174.8	0	0	0	0	116.6
579	G	28.1	Very low	27.8	Very low	77 Å²	77	151.8 Å²	151.8	79%	0.794	80%	0.8	S	S	*	*			trans	171.4	73.6	164.5	0	0	0	0	0	119.1
580	R	28.7	Very low	27.7	Very low	246 Å²	246	156.3 Å²	156.3	93%	0.928	80%	0.796	S	S	*	*			trans	10.5	127.6	156.2	-72.1	177.5	169.1	175.3	-3.5	124
581	S	27.8	Very low	27.5	Very low	114 Å²	114	160.7 Å²	160.7	80%	0.797	80%	0.8	S	S	*	*				43.7	122.8	120.8	141.7	0	0	0	0	122.1
582	R	26.4	Very low	27.5	Very low	250 Å²	250	158.3 Å²	158.3	94%	0.943	79%	0.793	S	S	*	*				-166.3	153.1	119.2	-137.5	171.7	160.6	-177.3	-6.6	113.9
583	M	25.9	Very low	27	Very low	169 Å²	169	160.5 Å²	160.5	83%	0.833	80%	0.799	S	S	*	*			trans	-89.3	162.7	-173.4	-160.9	-153.3	-60.9	0	0	112.5
584	V	23.9	Very low	26.6	Very low	109 Å²	109	163 Å²	163	66%	0.661	80%	0.797	S	S	*	*			trans	119.3	115.2	145.7	-175.3	0	0	0	0	118
585	R	25.7	Very low	26.6	Very low	224 Å²	224	162.5 Å²	162.5	85%	0.845	80%	0.797	S	S	*	*			trans	36.8	137	143.2	-62.9	173.7	174.7	178.4	-2.4	121.3
586	F	23.6	Very low	26.4	Very low	197 Å²	197	161.8 Å²	161.8	86%	0.864	80%	0.798	S	S	*	*				177.1	120.3	120.8	-97.4	-81.1	0	0	0	106.6
587	S	24.7	Very low	26.4	Very low	87 Å²	87	160.5 Å²	160.5	61%	0.608	80%	0.799	S	S	*	*				67.5	110.4	68.1	158.5	0	0	0	0	115.8
588	L	26.1	Very low	26.3	Very low	148 Å²	148	165.5 Å²	165.5	78%	0.775	80%	0.804	S	S	*	*			trans	69.5	112.6	142.2	-81.5	140.7	0	0	0	121.3
589	Y	24.6	Very low	26.2	Very low	177 Å²	177	165.8 Å²	165.8	69%	0.694	80%	0.795	S	S	*	*				63	108.9	129	-97.9	-105.7	0	0	0	121
590	R	26.4	Very low	26	Very low	192 Å²	192	169.1 Å²	169.1	73%	0.725	80%	0.8	S	S	*	*				59.4	105.7	117.8	-159.3	-175.8	-82.5	-179.6	-4	117.4
591	H	25.6	Very low	25.9	Very low	187 Å²	187	162.8 Å²	162.8	87%	0.866	78%	0.784	S	S	*	*			trans	-136.4	137.9	140.4	-124	68.3	0	0	0	111.5
592	L	27.9	Very low	25.8	Very low	141 Å²	141	163.4 Å²	163.4	74%	0.738	79%	0.789	S	S	*	*			trans	-66.9	142.5	178.1	-76.3	113.4	0	0	0	111.4
593	Q	26.3	Very low	26	Very low	200 Å²	200	158 Å²	158	94%	0.935	78%	0.783	S	S	*	*			trans	-144.6	118.9	145.1	-114.3	171.4	-7.3	0	0	110.2
594	K	26.1	Very low	25.9	Very low	183 Å²	183	155.5 Å²	155.5	80%	0.796	78%	0.783	S	S	*	*			trans	-75.2	136.6	164.6	-79.8	176.2	170.8	178.9	0	108.5
595	H	27.7	Very low	26.1	Very low	173 Å²	173	155.3 Å²	155.3	80%	0.801	79%	0.786	S	S	*	*				175.1	104.9	125.1	-95.9	-70.4	0	0	0	107.1
596	T	25.3	Very low	26.1	Very low	117 Å²	117	151.1 Å²	151.1	72%	0.718	79%	0.785	S	S	*	*				76.4	105.6	100.3	-48.3	0	0	0	0	112.6
597	L	27.4	Very low	26.3	Very low	164 Å²	164	149 Å²	149	86%	0.859	78%	0.783	S	S	*	*			trans	-160	107.7	147.4	-104.3	155.9	0	0	0	110.6
598	Q	26.3	Very low	26.5	Very low	175 Å²	175	150.7 Å²	150.7	82%	0.818	79%	0.794	S	S	*	*			trans	23.7	124.9	152.2	-71.9	169.5	-19.3	0	0	122.8
599	H	25.1	Very low	26.8	Very low	151 Å²	151	148.3 Å²	148.3	70%	0.699	80%	0.796	S	S	*	*			trans	-43.3	141.1	153.7	-114.2	-109.1	0	0	0	114.9	D601	H599-D601 IonicContact CE1-OD2 2.81Å; H599-D601 PolarHBondContact CE1-OD2 3.35Å; H599-D601 IonicContact ND1-OD2 3.48Å; H599-D601 PolarHBondContact ND1-OD2 2.86Å
600	V	24.7	Very low	26.9	Very low	148 Å²	148	149.2 Å²	149.2	90%	0.897	81%	0.806	S	S	*	*			trans	-138.6	102	132.8	-177	0	0	0	0	107.5
601	D	27.4	Very low	27	Very low	112 Å²	112	146 Å²	146	60%	0.599	81%	0.813	S	S	*	*			trans	-88.3	147	161.5	-89.1	-18.8	0	0	0	108.1	H599	H599-D601 IonicContact CE1-OD2 2.81Å; H599-D601 PolarHBondContact CE1-OD2 3.35Å; H599-D601 IonicContact ND1-OD2 3.48Å; H599-D601 PolarHBondContact ND1-OD2 2.86Å
602	S	24.9	Very low	27	Very low	128 Å²	128	140.3 Å²	140.3	90%	0.895	81%	0.805	S	S	*	*			trans	-161.2	99.1	140	-82.5	0	0	0	0	110.6
603	V	29.6	Very low	26.9	Very low	135 Å²	135	139.6 Å²	139.6	82%	0.818	81%	0.812	S	S	*	*			trans	-90	134.5	157.8	176.6	0	0	0	0	106.4
604	S	25	Very low	27.6	Very low	118 Å²	118	136.5 Å²	136.5	83%	0.825	81%	0.807	S	S	*	*			trans	-127.3	107.4	163.4	63.8	0	0	0	0	110.1
605	S	28.1	Very low	27.8	Very low	104 Å²	104	137.2 Å²	137.2	73%	0.727	81%	0.81	S	S	*	*			trans	-83.4	138.4	160.4	51.8	0	0	0	0	109.8
606	V	25.6	Very low	28	Very low	137 Å²	137	133.1 Å²	133.1	83%	0.83	80%	0.8	S	S	*	*			trans	-141.4	122.5	154.7	-166.7	0	0	0	0	108.4
607	D	28.7	Very low	28.1	Very low	153 Å²	153	135.4 Å²	135.4	82%	0.818	81%	0.808	S	S	*	*			trans	-70.2	145.2	170.3	-74.3	-45.8	0	0	0	111.1
608	S	27.9	Very low	28.2	Very low	121 Å²	121	136 Å²	136	85%	0.846	80%	0.803	S	S	*	*			trans	-159.6	121	147.8	-71.1	0	0	0	0	109.3
609	A	32.1	Very low	28.5	Very low	98 Å²	98	131.9 Å²	131.9	81%	0.81	79%	0.79	S	S	*	*			trans	-80	132.8	167.8	0	0	0	0	0	109.5
610	E	27.1	Very low	29	Very low	196 Å²	196	129 Å²	129	92%	0.916	80%	0.801	S	S	*	*			trans	-177.6	150.5	133.8	-104	179.1	-176.1	0	0	112.4
611	S	29	Very low	29.3	Very low	124 Å²	124	127.8 Å²	127.8	87%	0.867	79%	0.794	S	S	*	*			trans	-30.9	142.7	177.5	-173.4	0	0	0	0	119.7
612	G	24.9	Very low	29.4	Very low	68 Å²	68	125.2 Å²	125.2	70%	0.701	79%	0.794	S	S	*	*			trans	111.5	112	133.5	0	0	0	0	0	119.7
613	S	26.4	Very low	29.4	Very low	126 Å²	126	125.4 Å²	125.4	88%	0.881	78%	0.781	S	S	*	*			trans	69.9	129.2	146	-156.9	0	0	0	0	121.7
614	V	40.2	Very low	29.5	Very low	135 Å²	135	124.9 Å²	124.9	82%	0.818	77%	0.773	S	S	*	*			trans	-50.6	122.9	170.2	177.8	0	0	0	0	112.5
615	K	29.4	Very low	29.9	Very low	199 Å²	199	126.6 Å²	126.6	87%	0.865	77%	0.768	S	S	*	*			trans	-171.3	131.4	144	-106.2	166.1	-173.3	-177	0	112.3
616	S	32.2	Very low	30.4	Very low	86 Å²	86	123.3 Å²	123.3	60%	0.601	75%	0.75	S	S	*	*			trans	6.8	112.3	161.6	-167.6	0	0	0	0	117.7	K618	S616-K618 PolarHBondContact O-N 3.19Å; S616-K618 VanDerWaalsContact O-N 3.16Å
617	L	28.3	Very low	31.6	Very low	166 Å²	166	123 Å²	123	87%	0.869	74%	0.743	S	S	*	*			trans	-72.3	100.4	164	-95.8	152.9	0	0	0	109.1	T619	L617-T619 VanDerWaalsContact C-N 3.34Å; L617-T619 PolarHBondContact O-N 3.35Å
618	K	28.9	Very low	33.5	Very low	176 Å²	176	118.9 Å²	118.9	77%	0.765	72%	0.724	S	S	*	*			trans	-69.3	91.5	163	-77.5	-174.2	176.1	-177.7	0	109	S616	S616-K618 PolarHBondContact O-N 3.19Å; S616-K618 VanDerWaalsContact O-N 3.16Å
619	T	34.1	Very low	36.1	Very low	88 Å²	88	117.4 Å²	117.4	54%	0.54	70%	0.7	S	S	.	*			trans	-71.1	137.1	154	56.2	0	0	0	0	106.9	L617 V621	L617-T619 VanDerWaalsContact C-N 3.34Å; L617-T619 PolarHBondContact O-N 3.35Å; T619-V621 PolarHBondContact O-N 2.97Å
620	G	35.2	Very low	39	Very low	90 Å²	90	115.1 Å²	115.1	93%	0.928	67%	0.672	S	S	*	*	S	Bend	trans	-66.8	33.5	-173.6	0	0	0	0	0	116.1
621	V	30.8	Very low	42.2	Very low	123 Å²	123	105.8 Å²	105.8	75%	0.745	63%	0.628	S	S	*	*	S	Bend	trans	-141.1	66.3	176.9	-167.5	0	0	0	0	109.5	T619	T619-V621 PolarHBondContact O-N 2.97Å
622	G	28.2	Very low	45.2	Very low	59 Å²	59	102.5 Å²	102.5	61%	0.608	60%	0.599	S	S	*	*			trans	65.5	154.4	172.7	0	0	0	0	0	116	L624	G622-L624 PolarHBondContact O-N 3.13Å
623	E	26.9	Very low	48.5	Very low	132 Å²	132	99.4 Å²	99.4	62%	0.617	57%	0.568	S	S	*	*			trans	-72.5	107.6	171	-73.8	-177.9	164.2	0	0	109.5	Q625	E623-Q625 PolarHBondContact O-N 2.53Å
624	L	30.1	Very low	51.7	Low	124 Å²	124	93.5 Å²	93.5	65%	0.649	53%	0.526	S	S	*	.			trans	-84.3	96.7	168.7	-70.6	166	0	0	0	108.7	V525 G622	V525-L624 HydrophobicContact CG1-CD2 3.65Å; G622-L624 PolarHBondContact O-N 3.13Å
625	Q	33.6	Very low	54.4	Low	154 Å²	154	87.4 Å²	87.4	72%	0.72	49%	0.489	S	S	*	.			trans	-81.4	109.2	158.2	-82.6	179.5	-11.9	0	0	108.1	E623	E623-Q625 PolarHBondContact O-N 2.53Å
626	G	38.5	Very low	57.5	Low	34 Å²	34	77.9 Å²	77.9	35%	0.351	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	136.3	174.9	0	0	0	0	0	111.4	S524 T628	S524-G626 CarbonylContact O-C 3.52Å; S524-G626 VanDerWaalsContact O-CA 3.26Å; S524-G626 WeakPolarHBondContact O-CA 3.35Å; G626-T628 PolarHBondContact O-N 3.43Å; G626-T628 VanDerWaalsContact O-N 3.15Å
627	N	50.3	Low	60.5	Low	130 Å²	130	73.8 Å²	73.8	70%	0.695	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71	103.4	167.8	-79.6	-13.9	0	0	0	108.5	S524	S524-N627 PolarHBondContact O-N 3.31Å
628	T	68.8	Low	63.6	Low	67 Å²	67	66 Å²	66	41%	0.411	38%	0.378	S	S	.	.			trans	-60.4	131.8	166.6	41.1	0	0	0	0	110	P415 G626	P415-T628 WeakPolarHBondContact CB-OG1 3.46Å; G626-T628 PolarHBondContact O-N 3.43Å; G626-T628 VanDerWaalsContact O-N 3.15Å
629	R	83.5	Confident	66.2	Low	91 Å²	91	58.2 Å²	58.2	34%	0.343	34%	0.344	S	S	.	.			trans	-57.1	146.4	177.5	-69.4	178.6	-179.7	169.4	-1.6	111.2	D521 H632	D521-R629 WeakPolarHBondContact OD1-CA 3.38Å; R629-H632 PolarHBondContact O-CE1 3.06Å
630	F	91.9	Very high	68.4	Low	49 Å²	49	54.7 Å²	54.7	22%	0.215	32%	0.322	C	S	.	.	S	Bend	trans	-91.1	-47.8	175.2	-74.8	-86.2	0	0	0	111.5	R414 P415 W512 D521	R414-F630 HydrophobicContact CB-CD1 4.03Å; R414-F630 WeakPolarHBondContact CD-O 3.44Å; R414-F630 PolarHBondContact NH1-O 2.78Å; P415-F630 HydrophobicContact CB-CE1 4.4Å; W512-F630 HydrophobicContact CH2-CB 4.45Å; W512-F630 AromaticContact CH2-CD1 3.33Å; W512-F630 HydrophobicContact CH2-CD1 3.33Å; W512-F630 AromaticContact CH2-CE1 3.86Å; W512-F630 HydrophobicContact CH2-CE1 3.86Å; W512-F630 HydrophobicContact CH2-CG 4.18Å; W512-F630 HydrophobicContact CZ2-CD1 4.17Å; W512-F630 HydrophobicContact CZ3-CB 3.98Å; W512-F630 AromaticContact CZ3-CD1 3.74Å; W512-F630 HydrophobicContact CZ3-CD1 3.74Å; W512-F630 HydrophobicContact CZ3-CG 4.15Å; D521-F630 PolarHBondContact OD1-N 2.98Å; D521-F630 VanDerWaalsContact OD1-N 3.11Å; D521-F630 PolarHBondContact OD2-N 3.43Å
631	W	95.3	Very high	70.6	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.305	C	S	.	.	S	Bend	trans	-104.6	109.7	-176.6	-63.4	-91	0	0	0	108.8	R414 W512 R518 D521 D635 Y636 R657	R414-W631 VanDerWaalsContact NH1-CD1 3.32Å; W512-W631 AromaticContact CE3-CE2 3.71Å; W512-W631 AromaticContact CE3-CZ2 3.71Å; W512-W631 HydrophobicContact CE3-CZ2 3.71Å; W512-W631 AromaticContact CE3-NE1 3.7Å; W512-W631 AromaticContact CZ3-CE2 3.93Å; W512-W631 HydrophobicContact CZ3-CH2 4.01Å; W512-W631 AromaticContact CZ3-CZ2 3.57Å; W512-W631 HydrophobicContact CZ3-CZ2 3.57Å; W512-W631 PolarHBondContact O-NE1 3.43Å; R518-W631 HydrophobicContact CB-CH2 4Å; R518-W631 HydrophobicContact CB-CZ3 4.27Å; D521-W631 HydrophobicContact CB-CE3 3.64Å; D521-W631 HydrophobicContact CB-CZ3 4.08Å; D521-W631 PolarHBondContact OD2-N 3.19Å; W631-D635 HydrophobicContact CB-CB 4.34Å; W631-D635 VanDerWaalsContact CD1-OD2 3.28Å; W631-Y636 HydrophobicContact CB-CD2 4.31Å; W631-R657 PolarHBondContact O-NH1 3.13Å; W631-R657 PolarHBondContact O-NH2 3.3Å
632	H	92.9	Very high	73.1	Confident	55 Å²	55	54.6 Å²	54.6	26%	0.255	28%	0.283	S	S	.	.			trans	-94.7	134.2	-177.3	-67.6	75.4	0	0	0	111.4	R629 K634 D635 F651	R629-H632 PolarHBondContact O-CE1 3.06Å; H632-K634 PolarHBondContact O-N 2.93Å; H632-D635 WeakPolarHBondContact O-CB 3.15Å; H632-D635 PolarHBondContact O-N 2.91Å; H632-D635 VanDerWaalsContact O-N 3.12Å; H632-F651 HydrophobicContact CB-CD1 4.43Å
633	G	93.4	Very high	75.6	Confident	4 Å²	4	54.6 Å²	54.6	4%	0.041	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	53.4	-121.9	175.6	0	0	0	0	0	113.5	D635 Y636 F651 D652 D653 R657	G633-D635 PolarHBondContact O-N 3.46Å; G633-Y636 PolarHBondContact O-N 2.94Å; G633-Y636 VanDerWaalsContact O-N 3.08Å; G633-F651 WeakPolarHBondContact CA-O 3.42Å; G633-D652 CarbonylContact C-O 3.59Å; G633-D652 WeakPolarHBondContact CA-O 3.45Å; G633-D653 VanDerWaalsContact CA-OD1 3.24Å; G633-D653 WeakPolarHBondContact CA-OD1 3.47Å; G633-R657 VanDerWaalsContact N-NH2 3.15Å; G633-R657 PolarHBondContact O-NH2 3.41Å
634	K	94.1	Very high	78.3	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.009	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-62.7	-12.2	-178.1	-58	-55	166.4	79.3	0	115.1	Y509 H632 Y636 W644 I645 Q646 K649 P650 D652 F654	Y509-K634 HydrophobicContact CD1-CB 4.27Å; Y509-K634 HydrophobicContact CD2-CB 3.9Å; Y509-K634 HydrophobicContact CE1-CB 4.27Å; Y509-K634 HydrophobicContact CE2-CB 3.92Å; Y509-K634 HydrophobicContact CG-CB 4.12Å; H632-K634 PolarHBondContact O-N 2.93Å; K634-Y636 VanDerWaalsContact C-N 3.34Å; K634-W644 PolarHBondContact O-NE1 3.28Å; K634-I645 PolarHBondContact NZ-O 2.87Å; K634-Q646 VanDerWaalsContact NZ-C 3.35Å; K634-Q646 PolarHBondContact NZ-O 3.36Å; K634-K649 WeakPolarHBondContact CE-O 3.43Å; K634-K649 WeakPolarHBondContact CG-O 3.47Å; K634-K649 PolarHBondContact NZ-O 3.28Å; K634-K649 VanDerWaalsContact NZ-O 3.15Å; K634-P650 PolarHBondContact N-O 2.92Å; K634-D652 VanDerWaalsContact CD-O 3.27Å; K634-D652 WeakPolarHBondContact CD-O 3.25Å; K634-D652 WeakPolarHBondContact CE-O 3.29Å; K634-D652 PolarHBondContact N-O 3.43Å; K634-F654 HydrophobicContact CD-CB 4.05Å; K634-F654 HydrophobicContact CD-CD1 3.64Å; K634-F654 HydrophobicContact CD-CE1 4.45Å; K634-F654 HydrophobicContact CD-CG 4.12Å
635	D	95.8	Very high	80.9	Confident	6 Å²	6	47.3 Å²	47.3	3%	0.032	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-78.7	-18.4	176.6	-161.3	49.2	0	0	0	113.7	R414 Y509 G510 W631 H632 G633	R414-D635 IonicContact CZ-OD2 2.71Å; R414-D635 IonicContact NH1-OD2 3.99Å; R414-D635 PolarHBondContact NH1-OD2 2.74Å; R414-D635 IonicContact NH2-OD1 2.99Å; R414-D635 IonicContact NH2-OD2 2.6Å; R414-D635 PolarHBondContact NH2-OD2 3.49Å; Y509-D635 VanDerWaalsContact CA-OD1 3.28Å; Y509-D635 WeakPolarHBondContact CA-OD1 3.29Å; Y509-D635 HydrophobicContact CD1-CB 3.71Å; Y509-D635 HydrophobicContact CE1-CB 4.38Å; G510-D635 PolarHBondContact N-OD1 2.79Å; W631-D635 HydrophobicContact CB-CB 4.34Å; W631-D635 VanDerWaalsContact CD1-OD2 3.28Å; H632-D635 WeakPolarHBondContact O-CB 3.15Å; H632-D635 PolarHBondContact O-N 2.91Å; H632-D635 VanDerWaalsContact O-N 3.12Å; G633-D635 PolarHBondContact O-N 3.46Å
636	Y	95.8	Very high	83.5	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.222	C	C	.	.	S	Bend	trans	-89	108	168.4	-174	-84	0	0	0	108.8	L519 D521 W631 G633 K634 F654 I655 R657 T660 P661 R662	L519-Y636 PolarHBondContact O-OH 2.96Å; D521-Y636 HydrophobicContact CB-CD2 3.96Å; D521-Y636 HydrophobicContact CB-CE2 3.91Å; W631-Y636 HydrophobicContact CB-CD2 4.31Å; G633-Y636 PolarHBondContact O-N 2.94Å; G633-Y636 VanDerWaalsContact O-N 3.08Å; K634-Y636 VanDerWaalsContact C-N 3.34Å; Y636-F654 VanDerWaalsContact O-CE1 3.28Å; Y636-F654 WeakPolarHBondContact O-CE1 3.49Å; Y636-I655 HydrophobicContact CD1-CD1 3.55Å; Y636-I655 HydrophobicContact CD1-CG1 3.7Å; Y636-I655 HydrophobicContact CE1-CD1 3.66Å; Y636-I655 HydrophobicContact CE1-CG1 4.01Å; Y636-R657 HydrophobicContact CD1-CG 3.69Å; Y636-R657 HydrophobicContact CD2-CG 4.35Å; Y636-R657 VanDerWaalsContact CD2-NH1 3.32Å; Y636-R657 HydrophobicContact CE1-CB 4.15Å; Y636-R657 HydrophobicContact CE1-CG 3.71Å; Y636-R657 HydrophobicContact CE2-CG 4.35Å; Y636-R657 HydrophobicContact CG-CG 4.03Å; Y636-T660 WeakPolarHBondContact CE1-O 3.47Å; Y636-T660 PolarHBondContact OH-O 2.87Å; Y636-P661 WeakPolarHBondContact OH-CA 3.44Å; Y636-R662 HydrophobicContact CD1-CB 4.36Å; Y636-R662 HydrophobicContact CD2-CB 3.9Å; Y636-R662 HydrophobicContact CD2-CG 4.25Å; Y636-R662 HydrophobicContact CE1-CB 4.13Å; Y636-R662 HydrophobicContact CE2-CB 3.67Å; Y636-R662 HydrophobicContact CE2-CG 3.88Å; Y636-R662 HydrophobicContact CG-CB 4.25Å; Y636-R662 PolarHBondContact OH-N 3.04Å; Y636-R662 VanDerWaalsContact OH-N 3.15Å
637	C	94	Very high	86	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.207	C	C	.	.			trans	-144.8	155.5	-164.8	54.4	0	0	0	0	112.3	G510 F639 W644 F654 R662 M663	G510-C637 WeakPolarHBondContact CA-SG 3.27Å; C637-F639 HydrophobicContact CB-CD1 4.39Å; C637-F639 HydrophobicContact CB-CE1 3.8Å; C637-F639 WeakPolarHBondContact SG-CE1 3.41Å; C637-W644 HydrophobicContact CB-CZ2 4.07Å; C637-F654 HydrophobicContact CB-CE1 3.97Å; C637-F654 HydrophobicContact CB-CZ 3.75Å; C637-R662 WeakPolarHBondContact O-CA 3.2Å; C637-R662 WeakPolarHBondContact O-CB 3.41Å; C637-M663 PolarHBondContact O-N 3.44Å
638	N	93.5	Very high	87.8	Confident	3 Å²	3	42 Å²	42	2%	0.016	20%	0.195	C	C	.	.			trans	-141.3	106	169.9	-177.9	-36.2	0	0	0	108.1	V640 Y641 K642 I655 P661 M663 E878	N638-V640 VanDerWaalsContact C-N 3.3Å; N638-V640 PolarHBondContact O-N 2.81Å; N638-V640 PolarHBondContact OD1-N 2.96Å; N638-Y641 PolarHBondContact O-N 2.95Å; N638-Y641 PolarHBondContact OD1-N 3.37Å; N638-K642 PolarHBondContact O-N 3.19Å; N638-K642 VanDerWaalsContact O-N 3.07Å; N638-I655 HydrophobicContact CB-CD1 4.3Å; N638-P661 PolarHBondContact ND2-O 3.12Å; N638-M663 HydrophobicContact CB-CB 4.17Å; N638-E878 PolarHBondContact ND2-OE2 3.45Å
639	F	83.3	Confident	89	Confident	11 Å²	11	43.4 Å²	43.4	5%	0.048	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-21.2	-169.3	-36.5	-51.6	0	0	0	113.9	C637 W644 M663 W665 F814 E815 Y881	C637-F639 HydrophobicContact CB-CD1 4.39Å; C637-F639 HydrophobicContact CB-CE1 3.8Å; C637-F639 WeakPolarHBondContact SG-CE1 3.41Å; F639-W644 HydrophobicContact CD1-CE3 4.41Å; F639-W644 AromaticContact CD1-CH2 3.02Å; F639-W644 HydrophobicContact CD1-CH2 3.02Å; F639-W644 AromaticContact CD1-CZ2 3.61Å; F639-W644 HydrophobicContact CD1-CZ2 3.61Å; F639-W644 AromaticContact CD1-CZ3 3.48Å; F639-W644 HydrophobicContact CD1-CZ3 3.48Å; F639-W644 VanDerWaalsContact CD1-CZ3 3.48Å; F639-W644 AromaticContact CE1-CH2 2.93Å; F639-W644 HydrophobicContact CE1-CH2 2.93Å; F639-W644 AromaticContact CE1-CZ2 3.16Å; F639-W644 HydrophobicContact CE1-CZ2 3.16Å; F639-W644 AromaticContact CE1-CZ3 3.9Å; F639-W644 HydrophobicContact CE1-CZ3 3.9Å; F639-W644 HydrophobicContact CG-CH2 4.1Å; F639-W644 HydrophobicContact CG-CZ3 4.39Å; F639-W644 AromaticContact CZ-CH2 3.99Å; F639-W644 HydrophobicContact CZ-CH2 3.99Å; F639-W644 HydrophobicContact CZ-CZ2 4.24Å; F639-M663 HydrophobicContact CB-CE 3.79Å; F639-M663 HydrophobicContact CD2-CE 2.95Å; F639-M663 HydrophobicContact CE2-CE 3.49Å; F639-M663 VanDerWaalsContact CE2-CE 3.49Å; F639-M663 HydrophobicContact CG-CE 3.69Å; F639-W665 HydrophobicContact CD2-CE3 4.29Å; F639-W665 AromaticContact CD2-CZ3 3.86Å; F639-W665 HydrophobicContact CD2-CZ3 3.86Å; F639-W665 AromaticContact CE2-CE3 3.28Å; F639-W665 HydrophobicContact CE2-CE3 3.28Å; F639-W665 AromaticContact CE2-CZ3 3.23Å; F639-W665 HydrophobicContact CE2-CZ3 3.23Å; F639-W665 AromaticContact CZ-CE3 3.63Å; F639-W665 HydrophobicContact CZ-CE3 3.63Å; F639-W665 AromaticContact CZ-CZ3 3.67Å; F639-W665 HydrophobicContact CZ-CZ3 3.67Å; F639-F814 CarbonylContact O-C 3.55Å; F639-E815 WeakPolarHBondContact O-CA 3.35Å; F639-E815 PolarHBondContact O-N 3.19Å; F639-Y881 HydrophobicContact CD2-CD1 4.46Å; F639-Y881 HydrophobicContact CE2-CD1 4.48Å
640	V	81	Confident	89.4	Confident	14 Å²	14	39.8 Å²	39.8	9%	0.085	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-39.1	175.8	178.2	0	0	0	0	109.7	N638 M663 G816	N638-V640 VanDerWaalsContact C-N 3.3Å; N638-V640 PolarHBondContact O-N 2.81Å; N638-V640 PolarHBondContact OD1-N 2.96Å; V640-M663 HydrophobicContact CG2-CE 4.24Å; V640-M663 HydrophobicContact CG2-SD 3.93Å; V640-G816 PolarHBondContact O-N 2.77Å; V640-G816 VanDerWaalsContact O-N 3.12Å
641	Y	80.7	Confident	89.4	Confident	144 Å²	144	42.1 Å²	42.1	57%	0.565	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72	-47.3	-178.8	-175.4	-102.7	0	0	0	113.1	N638 I655 T660	N638-Y641 PolarHBondContact O-N 2.95Å; N638-Y641 PolarHBondContact OD1-N 3.37Å; Y641-I655 HydrophobicContact CD1-CG2 4.07Å; Y641-I655 HydrophobicContact CE1-CG2 4.37Å; Y641-T660 HydrophobicContact CD1-CG2 4.12Å; Y641-T660 HydrophobicContact CE1-CG2 4.4Å; Y641-T660 HydrophobicContact CG-CG2 4.24Å
642	K	83.3	Confident	89.2	Confident	67 Å²	67	46 Å²	46	29%	0.291	21%	0.214	S	C	.	.			trans	-160.6	132.6	-173.8	-169.4	175.9	178.5	-176.4	0	112.3	N638 F654 I655	N638-K642 PolarHBondContact O-N 3.19Å; N638-K642 VanDerWaalsContact O-N 3.07Å; K642-F654 HydrophobicContact CB-CE2 4.46Å; K642-F654 HydrophobicContact CD-CD2 4.17Å; K642-F654 HydrophobicContact CG-CD2 4.4Å; K642-F654 HydrophobicContact CG-CE2 4.44Å; K642-F654 PolarHBondContact NZ-O 2.63Å; K642-I655 HydrophobicContact CB-CG2 4.18Å; K642-I655 HydrophobicContact CD-CG2 4.13Å
643	D	81.3	Confident	89.1	Confident	59 Å²	59	46.6 Å²	46.6	32%	0.316	22%	0.219	S	C	.	.			trans	-74.5	160	173.3	-160.2	11.9	0	0	0	112.1	E815	D643-E815 HydrophobicContact CB-CB 4.31Å; D643-E815 WeakPolarHBondContact CB-OE2 3.37Å; D643-E815 PolarHBondContact N-OE2 2.92Å
644	W	83.3	Confident	89	Confident	28 Å²	28	47.2 Å²	47.2	11%	0.106	22%	0.221	C	C	.	.			trans	-67.2	138	-178.3	-70.9	-92.6	0	0	0	112.2	W405 K634 C637 F639 L647 F654	W405-W644 AromaticContact CH2-CD2 3.45Å; W405-W644 HydrophobicContact CH2-CD2 3.45Å; W405-W644 VanDerWaalsContact CH2-CD2 3.45Å; W405-W644 AromaticContact CH2-CE2 3.43Å; W405-W644 VanDerWaalsContact CH2-CE2 3.43Å; W405-W644 AromaticContact CH2-CE3 3.81Å; W405-W644 HydrophobicContact CH2-CE3 3.81Å; W405-W644 AromaticContact CH2-CG 3.82Å; W405-W644 HydrophobicContact CH2-CG 3.82Å; W405-W644 HydrophobicContact CH2-CH2 4.04Å; W405-W644 AromaticContact CH2-CZ2 3.69Å; W405-W644 HydrophobicContact CH2-CZ2 3.69Å; W405-W644 HydrophobicContact CH2-CZ3 4.13Å; W405-W644 AromaticContact CH2-NE1 3.84Å; W405-W644 AromaticContact CZ3-CD2 3.85Å; W405-W644 HydrophobicContact CZ3-CD2 3.85Å; W405-W644 AromaticContact CZ3-CE2 3.75Å; W405-W644 AromaticContact CZ3-CE3 3.77Å; W405-W644 HydrophobicContact CZ3-CE3 3.77Å; W405-W644 AromaticContact CZ3-CH2 3.45Å; W405-W644 HydrophobicContact CZ3-CH2 3.45Å; W405-W644 VanDerWaalsContact CZ3-CH2 3.45Å; W405-W644 AromaticContact CZ3-CZ2 3.51Å; W405-W644 HydrophobicContact CZ3-CZ2 3.51Å; W405-W644 AromaticContact CZ3-CZ3 3.62Å; W405-W644 HydrophobicContact CZ3-CZ3 3.62Å; K634-W644 PolarHBondContact O-NE1 3.28Å; C637-W644 HydrophobicContact CB-CZ2 4.07Å; F639-W644 HydrophobicContact CD1-CE3 4.41Å; F639-W644 AromaticContact CD1-CH2 3.02Å; F639-W644 HydrophobicContact CD1-CH2 3.02Å; F639-W644 AromaticContact CD1-CZ2 3.61Å; F639-W644 HydrophobicContact CD1-CZ2 3.61Å; F639-W644 AromaticContact CD1-CZ3 3.48Å; F639-W644 HydrophobicContact CD1-CZ3 3.48Å; F639-W644 VanDerWaalsContact CD1-CZ3 3.48Å; F639-W644 AromaticContact CE1-CH2 2.93Å; F639-W644 HydrophobicContact CE1-CH2 2.93Å; F639-W644 AromaticContact CE1-CZ2 3.16Å; F639-W644 HydrophobicContact CE1-CZ2 3.16Å; F639-W644 AromaticContact CE1-CZ3 3.9Å; F639-W644 HydrophobicContact CE1-CZ3 3.9Å; F639-W644 HydrophobicContact CG-CH2 4.1Å; F639-W644 HydrophobicContact CG-CZ3 4.39Å; F639-W644 AromaticContact CZ-CH2 3.99Å; F639-W644 HydrophobicContact CZ-CH2 3.99Å; F639-W644 HydrophobicContact CZ-CZ2 4.24Å; W644-L647 HydrophobicContact CB-CD2 3.82Å; W644-L647 HydrophobicContact CB-CG 4.45Å; W644-L647 HydrophobicContact CG-CD2 4.17Å; W644-F654 AromaticContact CD1-CE1 3.87Å; W644-F654 AromaticContact CD1-CZ 3.83Å; W644-F654 HydrophobicContact CG-CZ 4.3Å
645	I	85.3	Confident	88.9	Confident	75 Å²	75	47.5 Å²	47.5	39%	0.385	22%	0.222	S	C	.	.			trans	-127.5	154.9	175.7	59.2	171.3	0	0	0	110.2	K634 L647 F654	K634-I645 PolarHBondContact NZ-O 2.87Å; I645-L647 PolarHBondContact O-N 3.43Å; I645-F654 HydrophobicContact CD1-CB 4.42Å; I645-F654 HydrophobicContact CG1-CB 3.98Å; I645-F654 HydrophobicContact CG1-CD2 4.47Å
646	Q	87.8	Confident	88.7	Confident	105 Å²	105	50.9 Å²	50.9	49%	0.491	24%	0.241	S	C	.	.			trans	51.4	49.1	171.5	-62.6	179.9	-20.6	0	0	113.8	K634 E648 K649	K634-Q646 VanDerWaalsContact NZ-C 3.35Å; K634-Q646 PolarHBondContact NZ-O 3.36Å; Q646-E648 WeakPolarHBondContact CA-OE1 3.16Å; Q646-E648 WeakPolarHBondContact CA-OE2 3.42Å; Q646-E648 WeakPolarHBondContact CB-OE1 3.43Å; Q646-E648 PolarHBondContact O-N 2.83Å; Q646-K649 PolarHBondContact O-N 2.91Å
647	L	90.8	Very high	88.6	Confident	8 Å²	8	51 Å²	51	4%	0.042	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-16.9	-176.1	-70.2	178.6	0	0	0	114.1	W405 G453 I454 N455 Y509 W644 I645 K649	W405-L647 HydrophobicContact CH2-CD2 4.49Å; W405-L647 HydrophobicContact CZ2-CD1 3.83Å; W405-L647 HydrophobicContact CZ2-CD2 3.88Å; G453-L647 WeakPolarHBondContact O-CD1 3.25Å; I454-L647 VanDerWaalsContact O-CD1 3.31Å; I454-L647 WeakPolarHBondContact O-CD1 3.48Å; N455-L647 HydrophobicContact CB-CD1 3.86Å; Y509-L647 HydrophobicContact CD2-CD2 4.1Å; Y509-L647 HydrophobicContact CE2-CD2 4.12Å; W644-L647 HydrophobicContact CB-CD2 3.82Å; W644-L647 HydrophobicContact CB-CG 4.45Å; W644-L647 HydrophobicContact CG-CD2 4.17Å; I645-L647 PolarHBondContact O-N 3.43Å; L647-K649 PolarHBondContact O-N 3.39Å
648	E	89.4	Confident	88.4	Confident	94 Å²	94	56.3 Å²	56.3	44%	0.439	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-10.2	171	70.7	-73.9	171.7	0	0	115.1	Y458 Q646 P650	Y458-E648 HydrophobicContact CD2-CB 4.02Å; Y458-E648 HydrophobicContact CE2-CB 3.78Å; Q646-E648 WeakPolarHBondContact CA-OE1 3.16Å; Q646-E648 WeakPolarHBondContact CA-OE2 3.42Å; Q646-E648 WeakPolarHBondContact CB-OE1 3.43Å; Q646-E648 PolarHBondContact O-N 2.83Å; E648-P650 VanDerWaalsContact C-CD 3.5Å; E648-P650 VanDerWaalsContact O-CD 3.31Å; E648-P650 WeakPolarHBondContact O-CD 3.06Å
649	K	92.6	Very high	88.4	Confident	96 Å²	96	59.3 Å²	59.3	42%	0.417	28%	0.28	S	S	.	.			trans	-113.8	79.7	172	-57.8	-166.9	-170.6	176.7	0	109.8	K634 Q646 L647 F651 D652	K634-K649 WeakPolarHBondContact CE-O 3.43Å; K634-K649 WeakPolarHBondContact CG-O 3.47Å; K634-K649 PolarHBondContact NZ-O 3.28Å; K634-K649 VanDerWaalsContact NZ-O 3.15Å; Q646-K649 PolarHBondContact O-N 2.91Å; L647-K649 PolarHBondContact O-N 3.39Å; K649-F651 PolarHBondContact O-N 3.48Å; K649-D652 HydrophobicContact CB-CB 4.15Å; K649-D652 WeakPolarHBondContact CD-OD2 3.4Å
650	P	91.6	Very high	88.9	Confident	15 Å²	15	59.5 Å²	59.5	10%	0.097	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-28.8	-167.2	27.1	-36.7	0	0	0	113.9	E409 Y509 K634 E648	E409-P650 HydrophobicContact CB-CB 3.9Å; E409-P650 HydrophobicContact CB-CG 4.22Å; E409-P650 HydrophobicContact CG-CB 4.02Å; E409-P650 HydrophobicContact CG-CG 3.91Å; Y509-P650 WeakPolarHBondContact OH-CB 3.42Å; K634-P650 PolarHBondContact N-O 2.92Å; E648-P650 VanDerWaalsContact C-CD 3.5Å; E648-P650 VanDerWaalsContact O-CD 3.31Å; E648-P650 WeakPolarHBondContact O-CD 3.06Å
651	F	93.3	Very high	89.6	Confident	98 Å²	98	59.7 Å²	59.7	43%	0.43	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-1.3	-175.5	-54.7	-62.6	0	0	0	114	E409 F411 H632 G633 K649	E409-F651 HydrophobicContact CB-CZ 4.2Å; F411-F651 HydrophobicContact CE2-CE1 4.05Å; H632-F651 HydrophobicContact CB-CD1 4.43Å; G633-F651 WeakPolarHBondContact CA-O 3.42Å; K649-F651 PolarHBondContact O-N 3.48Å
652	D	91.3	Very high	90.4	Very high	81 Å²	81	52.8 Å²	52.8	43%	0.433	26%	0.257	S	S	.	.	S	Bend	trans	-83.4	134.2	173.5	-70	3.2	0	0	0	109.2	G633 K634 K649	G633-D652 CarbonylContact C-O 3.59Å; G633-D652 WeakPolarHBondContact CA-O 3.45Å; K634-D652 VanDerWaalsContact CD-O 3.27Å; K634-D652 WeakPolarHBondContact CD-O 3.25Å; K634-D652 WeakPolarHBondContact CE-O 3.29Å; K634-D652 PolarHBondContact N-O 3.43Å; K649-D652 HydrophobicContact CB-CB 4.15Å; K649-D652 WeakPolarHBondContact CD-OD2 3.4Å
653	D	89.7	Confident	91.1	Very high	68 Å²	68	49.6 Å²	49.6	36%	0.364	24%	0.243	S	C	.	.			trans	-71	142.1	170	-70.1	-26.7	0	0	0	110.2	G633 R657	G633-D653 VanDerWaalsContact CA-OD1 3.24Å; G633-D653 WeakPolarHBondContact CA-OD1 3.47Å; D653-R657 IonicContact OD1-CZ 2.92Å; D653-R657 VanDerWaalsContact OD1-CZ 3.28Å; D653-R657 IonicContact OD1-NE 2.61Å; D653-R657 PolarHBondContact OD1-NE 3.01Å; D653-R657 IonicContact OD1-NH2 3.66Å; D653-R657 PolarHBondContact OD1-NH2 2.97Å; D653-R657 VanDerWaalsContact OD2-CD 3.32Å; D653-R657 WeakPolarHBondContact OD2-CD 3.4Å; D653-R657 IonicContact OD2-CZ 3.77Å; D653-R657 IonicContact OD2-NE 3.3Å; D653-R657 PolarHBondContact OD2-NE 3.46Å; D653-R657 IonicContact OD2-NH2 3.85Å
654	F	91.5	Very high	91.9	Very high	17 Å²	17	46.8 Å²	46.8	8%	0.075	23%	0.228	C	C	.	.	S	Bend	trans	-113.9	-9.5	175.8	74.5	-74.1	0	0	0	113.4	K634 Y636 C637 K642 W644 I645	K634-F654 HydrophobicContact CD-CB 4.05Å; K634-F654 HydrophobicContact CD-CD1 3.64Å; K634-F654 HydrophobicContact CD-CE1 4.45Å; K634-F654 HydrophobicContact CD-CG 4.12Å; Y636-F654 VanDerWaalsContact O-CE1 3.28Å; Y636-F654 WeakPolarHBondContact O-CE1 3.49Å; C637-F654 HydrophobicContact CB-CE1 3.97Å; C637-F654 HydrophobicContact CB-CZ 3.75Å; K642-F654 HydrophobicContact CB-CE2 4.46Å; K642-F654 HydrophobicContact CD-CD2 4.17Å; K642-F654 HydrophobicContact CG-CD2 4.4Å; K642-F654 HydrophobicContact CG-CE2 4.44Å; K642-F654 PolarHBondContact NZ-O 2.63Å; W644-F654 AromaticContact CD1-CE1 3.87Å; W644-F654 AromaticContact CD1-CZ 3.83Å; W644-F654 HydrophobicContact CG-CZ 4.3Å; I645-F654 HydrophobicContact CD1-CB 4.42Å; I645-F654 HydrophobicContact CG1-CB 3.98Å; I645-F654 HydrophobicContact CG1-CD2 4.47Å
655	I	91.8	Very high	92.6	Very high	8 Å²	8	45.8 Å²	45.8	4%	0.041	22%	0.224	C	C	.	.	S	Bend	trans	-126.4	146.4	168.8	61.6	172.5	0	0	0	108.4	Y636 N638 Y641 K642 R657 T660	Y636-I655 HydrophobicContact CD1-CD1 3.55Å; Y636-I655 HydrophobicContact CD1-CG1 3.7Å; Y636-I655 HydrophobicContact CE1-CD1 3.66Å; Y636-I655 HydrophobicContact CE1-CG1 4.01Å; N638-I655 HydrophobicContact CB-CD1 4.3Å; Y641-I655 HydrophobicContact CD1-CG2 4.07Å; Y641-I655 HydrophobicContact CE1-CG2 4.37Å; K642-I655 HydrophobicContact CB-CG2 4.18Å; K642-I655 HydrophobicContact CD-CG2 4.13Å; I655-R657 PolarHBondContact O-N 2.98Å; I655-T660 HydrophobicContact CD1-CG2 4.44Å
656	D	91.4	Very high	93.2	Very high	78 Å²	78	42.2 Å²	42.2	42%	0.417	21%	0.206	S	C	.	.			trans	-80.2	115	-179.7	173	16.2	0	0	0	110.8	Y658 T659 T660	D656-Y658 VanDerWaalsContact C-N 3.27Å; D656-Y658 PolarHBondContact O-N 3.24Å; D656-Y658 WeakPolarHBondContact OD1-CD2 3.37Å; D656-Y658 PolarHBondContact OD1-N 3.06Å; D656-T659 WeakPolarHBondContact CB-OG1 3.42Å; D656-T659 PolarHBondContact O-N 2.78Å; D656-T659 PolarHBondContact O-OG1 2.97Å; D656-T659 VanDerWaalsContact OD2-CG2 3.25Å; D656-T659 WeakPolarHBondContact OD2-CG2 3.45Å; D656-T659 PolarHBondContact OD2-OG1 2.89Å; D656-T660 WeakPolarHBondContact O-CB 3.4Å; D656-T660 PolarHBondContact O-N 3.25Å
657	R	92.9	Very high	93.8	Very high	3 Å²	3	37.2 Å²	37.2	1%	0.011	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-25.4	-177.2	-61.6	177.5	179.6	-106	-7.6	113.9	D521 W631 G633 Y636 D653 I655 T659 L871	D521-R657 PolarHBondContact O-NH1 3.03Å; D521-R657 IonicContact OD2-NH1 2.8Å; D521-R657 PolarHBondContact OD2-NH1 3.18Å; W631-R657 PolarHBondContact O-NH1 3.13Å; W631-R657 PolarHBondContact O-NH2 3.3Å; G633-R657 VanDerWaalsContact N-NH2 3.15Å; G633-R657 PolarHBondContact O-NH2 3.41Å; Y636-R657 HydrophobicContact CD1-CG 3.69Å; Y636-R657 HydrophobicContact CD2-CG 4.35Å; Y636-R657 VanDerWaalsContact CD2-NH1 3.32Å; Y636-R657 HydrophobicContact CE1-CB 4.15Å; Y636-R657 HydrophobicContact CE1-CG 3.71Å; Y636-R657 HydrophobicContact CE2-CG 4.35Å; Y636-R657 HydrophobicContact CG-CG 4.03Å; D653-R657 IonicContact OD1-CZ 2.92Å; D653-R657 VanDerWaalsContact OD1-CZ 3.28Å; D653-R657 IonicContact OD1-NE 2.61Å; D653-R657 PolarHBondContact OD1-NE 3.01Å; D653-R657 IonicContact OD1-NH2 3.66Å; D653-R657 PolarHBondContact OD1-NH2 2.97Å; D653-R657 VanDerWaalsContact OD2-CD 3.32Å; D653-R657 WeakPolarHBondContact OD2-CD 3.4Å; D653-R657 IonicContact OD2-CZ 3.77Å; D653-R657 IonicContact OD2-NE 3.3Å; D653-R657 PolarHBondContact OD2-NE 3.46Å; D653-R657 IonicContact OD2-NH2 3.85Å; I655-R657 PolarHBondContact O-N 2.98Å; R657-T659 VanDerWaalsContact C-N 3.31Å; R657-L871 WeakPolarHBondContact O-CD1 3.14Å
658	Y	91.6	Very high	94.1	Very high	110 Å²	110	36.8 Å²	36.8	43%	0.431	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-21.6	-178.8	-62.3	-81.5	0	0	0	111.4	V522 D656 E872	V522-Y658 HydrophobicContact CB-CD1 4.49Å; V522-Y658 HydrophobicContact CB-CE1 4.18Å; V522-Y658 HydrophobicContact CG1-CD1 4.02Å; V522-Y658 HydrophobicContact CG1-CE1 4.19Å; D656-Y658 VanDerWaalsContact C-N 3.27Å; D656-Y658 PolarHBondContact O-N 3.24Å; D656-Y658 WeakPolarHBondContact OD1-CD2 3.37Å; D656-Y658 PolarHBondContact OD1-N 3.06Å; Y658-E872 HydrophobicContact CD1-CG 4.29Å; Y658-E872 WeakPolarHBondContact O-CG 3.35Å
659	T	91.8	Very high	94.6	Very high	66 Å²	66	32.3 Å²	32.3	41%	0.405	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-32.4	-176.1	54.9	0	0	0	0	114.2	D656 R657 R874	D656-T659 WeakPolarHBondContact CB-OG1 3.42Å; D656-T659 PolarHBondContact O-N 2.78Å; D656-T659 PolarHBondContact O-OG1 2.97Å; D656-T659 VanDerWaalsContact OD2-CG2 3.25Å; D656-T659 WeakPolarHBondContact OD2-CG2 3.45Å; D656-T659 PolarHBondContact OD2-OG1 2.89Å; R657-T659 VanDerWaalsContact C-N 3.31Å; T659-R874 VanDerWaalsContact CA-NH2 3.35Å; T659-R874 PolarHBondContact O-NH2 2.8Å
660	T	94.2	Very high	94.9	Very high	16 Å²	16	27.8 Å²	27.8	10%	0.098	14%	0.14	C	C	.	.	S	Bend	trans	-117.4	121.5	-173.4	-59.7	0	0	0	0	111.4	Y636 Y641 I655 D656	Y636-T660 WeakPolarHBondContact CE1-O 3.47Å; Y636-T660 PolarHBondContact OH-O 2.87Å; Y641-T660 HydrophobicContact CD1-CG2 4.12Å; Y641-T660 HydrophobicContact CE1-CG2 4.4Å; Y641-T660 HydrophobicContact CG-CG2 4.24Å; I655-T660 HydrophobicContact CD1-CG2 4.44Å; D656-T660 WeakPolarHBondContact O-CB 3.4Å; D656-T660 PolarHBondContact O-N 3.25Å
661	P	96.1	Very high	95.2	Very high	17 Å²	17	27.1 Å²	27.1	11%	0.11	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-67.7	146.1	173.1	29.9	-34.4	0	0	0	110.8	L519 Y636 N638 V876	L519-P661 HydrophobicContact CB-CB 3.94Å; L519-P661 WeakPolarHBondContact O-CA 3.37Å; Y636-P661 WeakPolarHBondContact OH-CA 3.44Å; N638-P661 PolarHBondContact ND2-O 3.12Å; P661-V876 HydrophobicContact CB-CG2 4.29Å; P661-V876 HydrophobicContact CG-CB 4.38Å; P661-V876 HydrophobicContact CG-CG2 4.47Å
662	R	96.9	Very high	95.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.115	C	C	.	.	P	Polyproline II helix	trans	-67.8	156.6	167	65.6	164.6	-68.4	-96.4	7	110.2	D513 R518 L519 Y636 C637 P664	D513-R662 IonicContact OD1-NH1 3.04Å; D513-R662 IonicContact OD2-CZ 2.73Å; D513-R662 VanDerWaalsContact OD2-CZ 3.29Å; D513-R662 IonicContact OD2-NH1 3.76Å; D513-R662 PolarHBondContact OD2-NH1 2.84Å; D513-R662 IonicContact OD2-NH2 3.23Å; D513-R662 PolarHBondContact OD2-NH2 3.45Å; R518-R662 WeakPolarHBondContact O-CD 3.24Å; R518-R662 WeakPolarHBondContact O-CG 3.25Å; R518-R662 PolarHBondContact O-NH1 3.24Å; L519-R662 PolarHBondContact O-N 3.46Å; Y636-R662 HydrophobicContact CD1-CB 4.36Å; Y636-R662 HydrophobicContact CD2-CB 3.9Å; Y636-R662 HydrophobicContact CD2-CG 4.25Å; Y636-R662 HydrophobicContact CE1-CB 4.13Å; Y636-R662 HydrophobicContact CE2-CB 3.67Å; Y636-R662 HydrophobicContact CE2-CG 3.88Å; Y636-R662 HydrophobicContact CG-CB 4.25Å; Y636-R662 PolarHBondContact OH-N 3.04Å; Y636-R662 VanDerWaalsContact OH-N 3.15Å; C637-R662 WeakPolarHBondContact O-CA 3.2Å; C637-R662 WeakPolarHBondContact O-CB 3.41Å; R662-P664 WeakPolarHBondContact O-CD 3.34Å
663	M	97.8	Very high	95.8	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.094	C	C	.	.	P	Polyproline II helix	trans	-91.4	120.9	170.2	-170.5	163	69.4	0	0	109.9	C637 N638 F639 V640 E878 L879 Y881	C637-M663 PolarHBondContact O-N 3.44Å; N638-M663 HydrophobicContact CB-CB 4.17Å; F639-M663 HydrophobicContact CB-CE 3.79Å; F639-M663 HydrophobicContact CD2-CE 2.95Å; F639-M663 HydrophobicContact CE2-CE 3.49Å; F639-M663 VanDerWaalsContact CE2-CE 3.49Å; F639-M663 HydrophobicContact CG-CE 3.69Å; V640-M663 HydrophobicContact CG2-CE 4.24Å; V640-M663 HydrophobicContact CG2-SD 3.93Å; M663-E878 HydrophobicContact CB-CG 4.15Å; M663-E878 HydrophobicContact CG-CG 3.96Å; M663-L879 HydrophobicContact CG-CD1 4.2Å; M663-L879 HydrophobicContact SD-CD1 3.54Å; M663-L879 VanDerWaalsContact SD-CD1 3.54Å; M663-L879 HydrophobicContact SD-CG 4.02Å; M663-Y881 HydrophobicContact CE-CD2 4.12Å; M663-Y881 HydrophobicContact CE-CG 3.98Å
664	P	98.4	Very high	96.2	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.08	C	C	.	.	P	Polyproline II helix	trans	-61.9	151.3	175.3	-24.8	36	0	0	0	114	D513 H517 L519 R662 T867 I880 Y881	D513-P664 VanDerWaalsContact OD2-CA 3.23Å; D513-P664 WeakPolarHBondContact OD2-CA 3.42Å; D513-P664 WeakPolarHBondContact OD2-CB 3.32Å; H517-P664 HydrophobicContact CB-CB 3.72Å; H517-P664 HydrophobicContact CB-CG 4.12Å; H517-P664 VanDerWaalsContact O-CG 3.27Å; H517-P664 WeakPolarHBondContact O-CG 3.26Å; L519-P664 HydrophobicContact CD2-CG 3.52Å; R662-P664 WeakPolarHBondContact O-CD 3.34Å; P664-T867 HydrophobicContact CG-CG2 4.16Å; P664-I880 HydrophobicContact CB-CB 4.24Å; P664-I880 HydrophobicContact CB-CG1 3.84Å; P664-I880 HydrophobicContact CB-CG2 4.1Å; P664-I880 HydrophobicContact CG-CG1 4Å; P664-Y881 VanDerWaalsContact O-CB 3.28Å; P664-Y881 WeakPolarHBondContact O-CB 3.13Å; P664-Y881 PolarHBondContact O-N 3.24Å
665	W	98.6	Very high	96.5	Very high	6 Å²	6	18.3 Å²	18.3	2%	0.023	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	113.1	-179.3	-168.6	-85.9	0	0	0	109.6	G510 R511 D513 H517 F639 D667 Y881 H883	G510-W665 VanDerWaalsContact O-CB 3.29Å; G510-W665 WeakPolarHBondContact O-CB 3.49Å; R511-W665 HydrophobicContact CG-CD2 4.35Å; R511-W665 HydrophobicContact CG-CZ2 3.87Å; R511-W665 VanDerWaalsContact NE-CZ2 3.33Å; D513-W665 HydrophobicContact CB-CB 4.34Å; D513-W665 VanDerWaalsContact CB-O 3.24Å; D513-W665 WeakPolarHBondContact CB-O 3.49Å; D513-W665 PolarHBondContact OD2-N 3.16Å; H517-W665 PolarHBondContact CE1-O 3.09Å; F639-W665 HydrophobicContact CD2-CE3 4.29Å; F639-W665 AromaticContact CD2-CZ3 3.86Å; F639-W665 HydrophobicContact CD2-CZ3 3.86Å; F639-W665 AromaticContact CE2-CE3 3.28Å; F639-W665 HydrophobicContact CE2-CE3 3.28Å; F639-W665 AromaticContact CE2-CZ3 3.23Å; F639-W665 HydrophobicContact CE2-CZ3 3.23Å; F639-W665 AromaticContact CZ-CE3 3.63Å; F639-W665 HydrophobicContact CZ-CE3 3.63Å; F639-W665 AromaticContact CZ-CZ3 3.67Å; F639-W665 HydrophobicContact CZ-CZ3 3.67Å; W665-D667 PolarHBondContact NE1-OD2 2.92Å; W665-Y881 AromaticContact CE3-CD1 3.83Å; W665-Y881 HydrophobicContact CE3-CD1 3.83Å; W665-Y881 HydrophobicContact CH2-CD1 4.15Å; W665-Y881 HydrophobicContact CH2-CE1 4.13Å; W665-Y881 AromaticContact CZ3-CD1 3.58Å; W665-Y881 HydrophobicContact CZ3-CD1 3.58Å; W665-Y881 AromaticContact CZ3-CE1 3.91Å; W665-Y881 HydrophobicContact CZ3-CE1 3.91Å; W665-H883 HydrophobicContact CD2-CB 4.2Å; W665-H883 VanDerWaalsContact CE2-CB 3.49Å; W665-H883 AromaticContact CE2-CG 3.64Å; W665-H883 AromaticContact CE2-ND1 3.87Å; W665-H883 HydrophobicContact CH2-CB 4.02Å; W665-H883 AromaticContact CH2-CD2 3.46Å; W665-H883 VanDerWaalsContact CH2-CD2 3.46Å; W665-H883 WeakPolarHBondContact CH2-CD2 3.44Å; W665-H883 AromaticContact CH2-CG 3.61Å; W665-H883 AromaticContact CH2-NE2 3.91Å; W665-H883 HydrophobicContact CZ2-CB 3.44Å; W665-H883 VanDerWaalsContact CZ2-CB 3.44Å; W665-H883 AromaticContact CZ2-CD2 3.39Å; W665-H883 WeakPolarHBondContact CZ2-CD2 3.17Å; W665-H883 AromaticContact CZ2-CE1 3.64Å; W665-H883 AromaticContact CZ2-CG 3.05Å; W665-H883 AromaticContact CZ2-ND1 3.24Å; W665-H883 WeakPolarHBondContact CZ2-ND1 3.4Å; W665-H883 AromaticContact CZ2-NE2 3.76Å
666	H	98.8	Very high	96.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	123	175.4	-174.8	74.4	0	0	0	109.6	N380 H517 E767 L865 I880 Y881 H883 S884	N380-H666 WeakPolarHBondContact OD1-CA 3.45Å; N380-H666 PolarHBondContact OD1-ND1 2.7Å; H517-H666 AromaticContact CE1-ND1 3.7Å; H517-H666 AromaticContact NE2-ND1 3.27Å; H517-H666 PolarHBondContact NE2-ND1 3.18Å; H666-E767 IonicContact CD2-OE2 3.72Å; H666-E767 PolarHBondContact CD2-OE2 3.4Å; H666-E767 IonicContact NE2-OE1 3.69Å; H666-E767 IonicContact NE2-OE2 2.85Å; H666-E767 PolarHBondContact NE2-OE2 3.14Å; H666-E767 VanDerWaalsContact NE2-OE2 3.1Å; H666-L865 HydrophobicContact CB-CD1 4.32Å; H666-I880 HydrophobicContact CB-CG2 3.56Å; H666-Y881 PolarHBondContact N-O 3.44Å; H666-H883 PolarHBondContact O-N 3.44Å; H666-S884 PolarHBondContact O-N 2.95Å
667	D	98.8	Very high	97.1	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.068	C	C	.	.			trans	-155.8	163.9	-171.1	-152.9	-18.3	0	0	0	111.6	N380 G504 I505 W665 H883 S884	N380-D667 WeakPolarHBondContact CA-O 3.48Å; N380-D667 PolarHBondContact N-O 3.39Å; G504-D667 WeakPolarHBondContact CA-OD1 3.17Å; I505-D667 HydrophobicContact CD1-CB 4.16Å; I505-D667 HydrophobicContact CG1-CB 3.73Å; I505-D667 WeakPolarHBondContact CG1-OD2 3.41Å; W665-D667 PolarHBondContact NE1-OD2 2.92Å; D667-H883 HydrophobicContact CB-CB 4.36Å; D667-H883 IonicContact OD1-ND1 3.26Å; D667-H883 IonicContact OD2-CE1 4Å; D667-H883 IonicContact OD2-CG 2.9Å; D667-H883 IonicContact OD2-ND1 2.98Å; D667-H883 PolarHBondContact OD2-ND1 2.96Å; D667-S884 WeakPolarHBondContact CA-OG 3.16Å; D667-S884 WeakPolarHBondContact OD1-CA 3.22Å; D667-S884 PolarHBondContact OD1-N 3.35Å
668	I	98.8	Very high	97.3	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	137.4	-177	-55.3	-65	0	0	0	110.1	Y378 V379 G504 M886 I896	Y378-I668 WeakPolarHBondContact O-CA 3.36Å; V379-I668 HydrophobicContact CB-CD1 4.24Å; V379-I668 HydrophobicContact CG1-CD1 4.25Å; V379-I668 HydrophobicContact CG2-CD1 3.82Å; G504-I668 PolarHBondContact N-O 3.43Å; I668-M886 HydrophobicContact CB-CB 4.21Å; I668-M886 HydrophobicContact CG1-CB 4.18Å; I668-M886 HydrophobicContact CG1-SD 4.47Å; I668-M886 HydrophobicContact CG2-CB 4.15Å; I668-M886 HydrophobicContact CG2-CG 4.19Å; I668-I896 HydrophobicContact CG2-CD1 3.76Å; I668-I896 HydrophobicContact CG2-CG1 3.72Å; I668-I896 HydrophobicContact CG2-CG2 4.04Å
669	A	98.9	Very high	97.7	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	174	170.9	0	0	0	0	0	111.5	W377 Y378 Y384 I505	W377-A669 CarbonylContact C-O 3.55Å; W377-A669 WeakPolarHBondContact CA-O 3.49Å; Y378-A669 HydrophobicContact CD2-CB 4.22Å; Y378-A669 PolarHBondContact N-O 2.71Å; Y378-A669 PolarHBondContact O-N 2.99Å; Y378-A669 VanDerWaalsContact O-N 3.13Å; Y384-A669 HydrophobicContact CD2-CB 3.5Å; Y384-A669 HydrophobicContact CE2-CB 3.72Å; Y384-A669 HydrophobicContact CG-CB 4.14Å; I505-A669 HydrophobicContact CD1-CB 3.94Å; I505-A669 HydrophobicContact CG1-CB 4.26Å
670	S	98.8	Very high	98	Very high	1 Å²	1	6 Å²	6	1%	0.007	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	160.3	177.2	63.6	0	0	0	0	110.9	K376 F501 V502 V916	K376-S670 CarbonylContact O-C 3.54Å; K376-S670 WeakPolarHBondContact O-CA 3.33Å; F501-S670 CarbonylContact C-O 3.59Å; F501-S670 VanDerWaalsContact CA-O 3.3Å; F501-S670 WeakPolarHBondContact CA-O 3.44Å; V502-S670 PolarHBondContact N-O 3.35Å; V502-S670 PolarHBondContact O-N 3.29Å; V502-S670 PolarHBondContact O-OG 2.88Å; S670-V916 WeakPolarHBondContact OG-CG2 3.44Å
671	V	98.9	Very high	98.2	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	2%	0.024	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	139.9	166.5	63.5	0	0	0	0	109.6	A375 K376 Y378 V499 A500 F501 V721	A375-V671 VanDerWaalsContact CA-O 3.25Å; A375-V671 WeakPolarHBondContact CA-O 3.29Å; K376-V671 HydrophobicContact CB-CG1 3.74Å; K376-V671 HydrophobicContact CG-CG1 4.48Å; K376-V671 PolarHBondContact N-O 2.69Å; K376-V671 PolarHBondContact O-N 3.11Å; Y378-V671 HydrophobicContact CE2-CB 4.03Å; Y378-V671 HydrophobicContact CE2-CG1 3.85Å; Y378-V671 VanDerWaalsContact OH-CG1 3.29Å; Y378-V671 WeakPolarHBondContact OH-CG1 3.14Å; V499-V671 HydrophobicContact CG1-CG2 3.47Å; V499-V671 VanDerWaalsContact CG1-CG2 3.47Å; A500-V671 CarbonylContact O-C 3.57Å; A500-V671 VanDerWaalsContact O-CA 3.3Å; A500-V671 WeakPolarHBondContact O-CA 3.23Å; F501-V671 HydrophobicContact CD1-CB 3.79Å; F501-V671 HydrophobicContact CD1-CG2 4.01Å; F501-V671 HydrophobicContact CD2-CG2 4.2Å; F501-V671 HydrophobicContact CE1-CB 3.87Å; F501-V671 HydrophobicContact CE1-CG2 3.94Å; F501-V671 HydrophobicContact CE2-CG2 4.1Å; F501-V671 HydrophobicContact CG-CB 4.3Å; F501-V671 HydrophobicContact CG-CG2 4.15Å; F501-V671 HydrophobicContact CZ-CB 4.41Å; F501-V671 HydrophobicContact CZ-CG2 3.98Å; V671-V721 HydrophobicContact CG1-CB 4.18Å; V671-V721 HydrophobicContact CG1-CG1 4.19Å; V671-V721 HydrophobicContact CG1-CG2 4.22Å; V671-V721 HydrophobicContact CG2-CG2 4.04Å
672	V	98.6	Very high	98.4	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	2%	0.021	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	150.8	175.5	-61.6	0	0	0	0	109.8	V373 A375 A500 V680 V729 V916	V373-V672 HydrophobicContact CG1-CB 4.29Å; A375-V672 HydrophobicContact CB-CG1 4.3Å; A500-V672 HydrophobicContact CB-CG2 4.15Å; A500-V672 PolarHBondContact N-O 3Å; A500-V672 PolarHBondContact O-N 3.24Å; V672-V680 HydrophobicContact CG2-CG2 4.45Å; V672-V729 HydrophobicContact CB-CG1 4.45Å; V672-V729 HydrophobicContact CG1-CG1 3.87Å; V672-V729 HydrophobicContact CG1-CG2 4.37Å; V672-V916 HydrophobicContact CG1-CG1 4.32Å
673	H	98.6	Very high	98.4	Very high	0 Å²	0	5 Å²	5	0%	0	2%	0.021	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	169.3	-175.4	-62.1	73.3	0	0	0	112.4	V373 P374 S498 R675 G676 A677 L717 V721 C724	V373-H673 WeakPolarHBondContact CG1-O 3.35Å; P374-H673 HydrophobicContact CB-CB 4.17Å; P374-H673 HydrophobicContact CG-CB 4.28Å; P374-H673 PolarHBondContact O-N 3.24Å; P374-H673 PolarHBondContact O-ND1 2.7Å; S498-H673 CarbonylContact O-C 3.56Å; S498-H673 WeakPolarHBondContact O-CA 3.1Å; H673-R675 PolarHBondContact O-N 3.15Å; H673-G676 PolarHBondContact O-N 3.16Å; H673-A677 PolarHBondContact O-N 2.59Å; H673-L717 HydrophobicContact CB-CD1 3.95Å; H673-L717 HydrophobicContact CB-CD2 4.17Å; H673-V721 PolarHBondContact NE2-N 3.22Å; H673-C724 PolarHBondContact CE1-SG 3.26Å
674	G	97.4	Very high	98.5	Very high	6 Å²	6	5 Å²	5	6%	0.062	2%	0.021	C	C	.	.	H	α-helix	trans	58	-122.7	168.6	0	0	0	0	0	112.9	S498 G676 A677 R678 A714	S498-G674 PolarHBondContact O-N 3.08Å; G674-G676 VanDerWaalsContact C-N 3.34Å; G674-G676 PolarHBondContact O-N 3.46Å; G674-A677 WeakPolarHBondContact O-CB 3.45Å; G674-A677 PolarHBondContact O-N 3.15Å; G674-A677 VanDerWaalsContact O-N 3.16Å; G674-R678 PolarHBondContact O-N 2.89Å; G674-A714 WeakPolarHBondContact CA-O 3.42Å
675	R	97.2	Very high	98.5	Very high	73 Å²	73	5 Å²	5	28%	0.275	2%	0.021	S	C	.	.	H	α-helix	trans	-62.8	-38.8	-177.4	-63.1	177.9	-168.8	-106.1	-7.1	112.6	Q370 H673 A677 R678 D679 H711 A714 D715	Q370-R675 HydrophobicContact CB-CB 4.42Å; Q370-R675 HydrophobicContact CG-CB 3.88Å; Q370-R675 VanDerWaalsContact OE1-CD 3.31Å; H673-R675 PolarHBondContact O-N 3.15Å; R675-A677 VanDerWaalsContact C-N 3.31Å; R675-A677 PolarHBondContact O-N 2.91Å; R675-R678 PolarHBondContact O-N 2.7Å; R675-R678 VanDerWaalsContact O-N 3.17Å; R675-D679 PolarHBondContact O-N 2.92Å; R675-H711 VanDerWaalsContact CZ-O 3.26Å; R675-H711 PolarHBondContact NH1-O 2.78Å; R675-H711 PolarHBondContact NH2-O 3.4Å; R675-A714 HydrophobicContact CB-CB 4.34Å; R675-A714 HydrophobicContact CG-CB 3.37Å; R675-D715 IonicContact CZ-OD2 3.13Å; R675-D715 IonicContact NE-OD1 2.74Å; R675-D715 IonicContact NE-OD2 2.67Å; R675-D715 IonicContact NH2-OD2 2.77Å; R675-D715 PolarHBondContact NH2-OD2 3.38Å
676	G	97.7	Very high	98.5	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-60.9	-41.4	174.7	0	0	0	0	0	111.8	H673 G674 R678 D679 V680	H673-G676 PolarHBondContact O-N 3.16Å; G674-G676 VanDerWaalsContact C-N 3.34Å; G674-G676 PolarHBondContact O-N 3.46Å; G676-R678 VanDerWaalsContact C-N 3.35Å; G676-R678 PolarHBondContact O-N 2.7Å; G676-D679 PolarHBondContact O-N 3.31Å; G676-V680 WeakPolarHBondContact O-CG2 3.5Å; G676-V680 PolarHBondContact O-N 2.93Å
677	A	98.6	Very high	98.5	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-65.9	-35.8	175.1	0	0	0	0	0	113	S498 A500 H673 G674 R675 V680 A681	S498-A677 VanDerWaalsContact O-CB 3.31Å; S498-A677 WeakPolarHBondContact O-CB 3.26Å; A500-A677 HydrophobicContact CB-CB 3.76Å; H673-A677 PolarHBondContact O-N 2.59Å; G674-A677 WeakPolarHBondContact O-CB 3.45Å; G674-A677 PolarHBondContact O-N 3.15Å; G674-A677 VanDerWaalsContact O-N 3.16Å; R675-A677 VanDerWaalsContact C-N 3.31Å; R675-A677 PolarHBondContact O-N 2.91Å; A677-V680 PolarHBondContact O-N 3.32Å; A677-A681 WeakPolarHBondContact O-CB 3.47Å; A677-A681 PolarHBondContact O-N 2.99Å
678	R	98.1	Very high	98.5	Very high	5 Å²	5	5.3 Å²	5.3	2%	0.019	2%	0.023	C	C	.	.	H	α-helix	trans	-67.4	-36.2	175	-71.9	-176.5	-173.8	-172.9	2	112.7	Q497 G674 R675 G676 A681 R682 S710 S713 A714	Q497-R678 WeakPolarHBondContact O-CG 3.35Å; Q497-R678 PolarHBondContact O-NE 3.36Å; G674-R678 PolarHBondContact O-N 2.89Å; R675-R678 PolarHBondContact O-N 2.7Å; R675-R678 VanDerWaalsContact O-N 3.17Å; G676-R678 VanDerWaalsContact C-N 3.35Å; G676-R678 PolarHBondContact O-N 2.7Å; R678-A681 PolarHBondContact O-N 3.17Å; R678-R682 WeakPolarHBondContact O-CB 3.3Å; R678-R682 PolarHBondContact O-N 3.43Å; R678-S710 PolarHBondContact NH1-O 3.04Å; R678-S713 VanDerWaalsContact CZ-C 3.49Å; R678-S713 PolarHBondContact NH1-O 2.92Å; R678-S713 PolarHBondContact NH1-OG 3.16Å; R678-S713 VanDerWaalsContact NH2-C 3.29Å; R678-S713 PolarHBondContact NH2-O 2.99Å; R678-S713 PolarHBondContact NH2-OG 3.02Å; R678-A714 VanDerWaalsContact NH1-CA 3.31Å
679	D	98.6	Very high	98.4	Very high	1 Å²	1	5.8 Å²	5.8	1%	0.005	3%	0.025	C	C	.	.	H	α-helix	trans	-64.2	-41.4	174.3	-70.9	-35.1	0	0	0	110.9	F366 A367 Q370 R675 G676 R682 H683 H711 V731	F366-D679 WeakPolarHBondContact CE2-O 3.48Å; F366-D679 VanDerWaalsContact CZ-O 3.31Å; F366-D679 WeakPolarHBondContact CZ-O 3.48Å; A367-D679 HydrophobicContact CB-CB 3.93Å; Q370-D679 PolarHBondContact NE2-OD2 2.97Å; R675-D679 PolarHBondContact O-N 2.92Å; G676-D679 PolarHBondContact O-N 3.31Å; D679-R682 WeakPolarHBondContact O-CB 3.47Å; D679-R682 PolarHBondContact O-N 2.92Å; D679-H683 PolarHBondContact O-N 2.64Å; D679-H683 VanDerWaalsContact O-N 3.15Å; D679-H711 IonicContact OD1-CE1 3.7Å; D679-H711 PolarHBondContact OD1-CE1 3.39Å; D679-H711 VanDerWaalsContact OD1-CE1 3.28Å; D679-H711 IonicContact OD1-NE2 2.69Å; D679-H711 PolarHBondContact OD1-NE2 3.12Å; D679-V731 HydrophobicContact CB-CB 4.09Å; D679-V731 HydrophobicContact CB-CG2 3.62Å
680	V	98.9	Very high	98.2	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-64.7	-45.3	172.2	-177.8	0	0	0	0	111.5	I492 V494 A500 V502 V672 G676 A677 R682 H683 F684 V731	I492-V680 HydrophobicContact CB-CG1 4.12Å; I492-V680 HydrophobicContact CD1-CG1 4.05Å; I492-V680 HydrophobicContact CG1-CG1 4.42Å; I492-V680 HydrophobicContact CG2-CG1 4.16Å; V494-V680 HydrophobicContact CG2-CB 4.44Å; V494-V680 HydrophobicContact CG2-CG1 3.79Å; A500-V680 HydrophobicContact CB-CB 3.76Å; A500-V680 HydrophobicContact CB-CG1 3.99Å; A500-V680 HydrophobicContact CB-CG2 3.97Å; V502-V680 HydrophobicContact CG2-CG1 4.01Å; V502-V680 HydrophobicContact CG2-CG2 3.81Å; V672-V680 HydrophobicContact CG2-CG2 4.45Å; G676-V680 WeakPolarHBondContact O-CG2 3.5Å; G676-V680 PolarHBondContact O-N 2.93Å; A677-V680 PolarHBondContact O-N 3.32Å; V680-R682 VanDerWaalsContact C-N 3.26Å; V680-R682 PolarHBondContact O-N 2.81Å; V680-H683 WeakPolarHBondContact O-CB 3.22Å; V680-H683 PolarHBondContact O-N 2.95Å; V680-H683 VanDerWaalsContact O-N 3.17Å; V680-F684 PolarHBondContact O-N 3.08Å; V680-F684 VanDerWaalsContact O-N 3.17Å; V680-V731 HydrophobicContact CG2-CG1 4.12Å; V680-V731 HydrophobicContact CG2-CG2 3.78Å
681	A	98.8	Very high	98.1	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-58.2	-41.1	176	0	0	0	0	0	111.6	F400 V494 Q497 A677 R678 H683 F684 I685	F400-A681 HydrophobicContact CD2-CB 4.34Å; F400-A681 HydrophobicContact CE2-CB 4.17Å; V494-A681 HydrophobicContact CG1-CB 3.96Å; Q497-A681 HydrophobicContact CB-CB 3.89Å; Q497-A681 HydrophobicContact CG-CB 3.95Å; A677-A681 WeakPolarHBondContact O-CB 3.47Å; A677-A681 PolarHBondContact O-N 2.99Å; R678-A681 PolarHBondContact O-N 3.17Å; A681-H683 VanDerWaalsContact C-N 3.32Å; A681-H683 PolarHBondContact O-N 2.87Å; A681-F684 WeakPolarHBondContact O-CB 3.4Å; A681-F684 PolarHBondContact O-N 2.82Å; A681-F684 VanDerWaalsContact O-N 3.14Å; A681-I685 WeakPolarHBondContact O-CB 3.38Å; A681-I685 WeakPolarHBondContact O-CD1 3.31Å; A681-I685 WeakPolarHBondContact O-CG1 3.31Å; A681-I685 PolarHBondContact O-N 3.08Å
682	R	98.6	Very high	97.9	Very high	11 Å²	11	6.7 Å²	6.7	4%	0.042	3%	0.029	C	C	.	.	H	α-helix	trans	-63.8	-37	179.1	178.4	175.8	-173	-20.4	6.4	111.9	L300 V301 F366 R678 D679 V680 Q686	L300-R682 VanDerWaalsContact CB-NH2 3.29Å; V301-R682 PolarHBondContact O-NH2 2.84Å; F366-R682 HydrophobicContact CE2-CG 4.43Å; R678-R682 WeakPolarHBondContact O-CB 3.3Å; R678-R682 PolarHBondContact O-N 3.43Å; D679-R682 WeakPolarHBondContact O-CB 3.47Å; D679-R682 PolarHBondContact O-N 2.92Å; V680-R682 VanDerWaalsContact C-N 3.26Å; V680-R682 PolarHBondContact O-N 2.81Å; R682-Q686 WeakPolarHBondContact O-CB 3.43Å; R682-Q686 PolarHBondContact O-N 2.9Å; R682-Q686 VanDerWaalsContact O-N 3.08Å
683	H	98.8	Very high	97.5	Very high	1 Å²	1	8 Å²	8	1%	0.005	4%	0.036	C	C	.	.	H	α-helix	trans	-60.7	-49.4	170.1	171.2	98.6	0	0	0	111.1	F366 E490 D679 V680 A681 I685 Q686 R687 R733	F366-H683 HydrophobicContact CZ-CB 4.12Å; E490-H683 IonicContact OE1-CE1 2.87Å; E490-H683 IonicContact OE1-NE2 3.43Å; E490-H683 PolarHBondContact OE1-NE2 3.36Å; D679-H683 PolarHBondContact O-N 2.64Å; D679-H683 VanDerWaalsContact O-N 3.15Å; V680-H683 WeakPolarHBondContact O-CB 3.22Å; V680-H683 PolarHBondContact O-N 2.95Å; V680-H683 VanDerWaalsContact O-N 3.17Å; A681-H683 VanDerWaalsContact C-N 3.32Å; A681-H683 PolarHBondContact O-N 2.87Å; H683-I685 PolarHBondContact O-N 2.75Å; H683-Q686 PolarHBondContact O-N 2.91Å; H683-R687 WeakPolarHBondContact NE2-CD 3.5Å; H683-R687 PolarHBondContact O-N 2.84Å; H683-R687 VanDerWaalsContact O-N 3.14Å; H683-R733 WeakPolarHBondContact ND1-CD 3.24Å
684	F	98.9	Very high	96.9	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-56.7	-49.9	177.3	-177.5	-93	0	0	0	112.1	F400 I401 T402 F441 M443 I492 V680 A681 Q686 R687 W688 L706	F400-F684 HydrophobicContact CB-CD1 3.63Å; F400-F684 HydrophobicContact CB-CD2 3.91Å; F400-F684 HydrophobicContact CB-CE1 3.67Å; F400-F684 HydrophobicContact CB-CE2 3.95Å; F400-F684 HydrophobicContact CB-CG 3.75Å; F400-F684 HydrophobicContact CB-CZ 3.83Å; F400-F684 AromaticContact CD1-CD1 3.92Å; F400-F684 HydrophobicContact CD1-CD1 3.92Å; F400-F684 AromaticContact CD1-CE1 3.66Å; F400-F684 HydrophobicContact CD1-CE1 3.66Å; F400-F684 HydrophobicContact CD1-CZ 4.4Å; F400-F684 HydrophobicContact CD2-CB 4.23Å; F400-F684 AromaticContact CD2-CD1 3.58Å; F400-F684 HydrophobicContact CD2-CD1 3.58Å; F400-F684 HydrophobicContact CD2-CE1 4.19Å; F400-F684 HydrophobicContact CD2-CG 4.03Å; F400-F684 HydrophobicContact CE1-CD1 4.49Å; F400-F684 HydrophobicContact CE1-CE1 4.35Å; F400-F684 HydrophobicContact CE2-CD1 4.17Å; F400-F684 AromaticContact CG-CD1 3.43Å; F400-F684 HydrophobicContact CG-CD1 3.43Å; F400-F684 VanDerWaalsContact CG-CD1 3.43Å; F400-F684 AromaticContact CG-CE1 3.58Å; F400-F684 HydrophobicContact CG-CE1 3.58Å; F400-F684 AromaticContact CG-CG 3.99Å; F400-F684 HydrophobicContact CG-CG 3.99Å; F400-F684 HydrophobicContact CG-CZ 4.25Å; I401-F684 WeakPolarHBondContact O-CE2 3.35Å; T402-F684 HydrophobicContact CG2-CD2 3.47Å; T402-F684 VanDerWaalsContact CG2-CD2 3.47Å; T402-F684 HydrophobicContact CG2-CE2 3.72Å; F441-F684 HydrophobicContact CB-CE1 3.79Å; F441-F684 HydrophobicContact CB-CZ 3.77Å; F441-F684 WeakPolarHBondContact O-CZ 3.36Å; M443-F684 HydrophobicContact CB-CE2 4.19Å; M443-F684 HydrophobicContact CG-CE2 3.73Å; M443-F684 HydrophobicContact CG-CZ 3.91Å; M443-F684 HydrophobicContact SD-CD2 4.39Å; M443-F684 HydrophobicContact SD-CE2 4.06Å; M443-F684 HydrophobicContact SD-CZ 4.33Å; I492-F684 HydrophobicContact CD1-CB 4.14Å; I492-F684 HydrophobicContact CD1-CD2 4.21Å; V680-F684 PolarHBondContact O-N 3.08Å; V680-F684 VanDerWaalsContact O-N 3.17Å; A681-F684 WeakPolarHBondContact O-CB 3.4Å; A681-F684 PolarHBondContact O-N 2.82Å; A681-F684 VanDerWaalsContact O-N 3.14Å; F684-Q686 VanDerWaalsContact C-N 3.3Å; F684-Q686 PolarHBondContact O-N 2.94Å; F684-R687 PolarHBondContact O-N 3.2Å; F684-W688 HydrophobicContact CD1-CB 4.49Å; F684-W688 HydrophobicContact CE1-CB 4.28Å; F684-W688 HydrophobicContact CE1-CE3 4.2Å; F684-W688 HydrophobicContact CZ-CE3 4.03Å; F684-W688 WeakPolarHBondContact O-CB 3.33Å; F684-W688 PolarHBondContact O-N 3.27Å; F684-L706 HydrophobicContact CD1-CD1 3.88Å; F684-L706 HydrophobicContact CE1-CD1 3.54Å
685	I	98.9	Very high	96.4	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-59.8	-41.6	-178.6	-70.3	162.6	0	0	0	111.1	F400 A681 H683 N689 L706 P708	F400-I685 HydrophobicContact CE2-CD1 4.08Å; F400-I685 HydrophobicContact CE2-CG1 4.02Å; F400-I685 HydrophobicContact CZ-CD1 4.49Å; F400-I685 HydrophobicContact CZ-CG1 4.37Å; A681-I685 WeakPolarHBondContact O-CB 3.38Å; A681-I685 WeakPolarHBondContact O-CD1 3.31Å; A681-I685 WeakPolarHBondContact O-CG1 3.31Å; A681-I685 PolarHBondContact O-N 3.08Å; H683-I685 PolarHBondContact O-N 2.75Å; I685-N689 WeakPolarHBondContact CG2-ND2 3.34Å; I685-N689 VanDerWaalsContact O-CB 3.25Å; I685-N689 WeakPolarHBondContact O-CB 3.38Å; I685-N689 PolarHBondContact O-N 3.41Å; I685-N689 PolarHBondContact O-ND2 2.46Å; I685-L706 HydrophobicContact CB-CB 4.35Å; I685-L706 HydrophobicContact CG1-CB 3.84Å; I685-L706 HydrophobicContact CG1-CD1 4.4Å; I685-L706 HydrophobicContact CG2-CB 4.03Å; I685-L706 WeakPolarHBondContact CG2-O 3.47Å; I685-P708 HydrophobicContact CD1-CB 3.99Å
686	Q	98.3	Very high	96	Very high	13 Å²	13	11.4 Å²	11.4	6%	0.061	6%	0.062	C	C	.	.	H	α-helix	trans	-60.1	-50.3	176	-174.8	171.8	32.5	0	0	111.2	L300 R682 H683 F684 N689 F690 A740 I742	L300-Q686 HydrophobicContact CD1-CB 3.71Å; L300-Q686 HydrophobicContact CD1-CG 4.06Å; R682-Q686 WeakPolarHBondContact O-CB 3.43Å; R682-Q686 PolarHBondContact O-N 2.9Å; R682-Q686 VanDerWaalsContact O-N 3.08Å; H683-Q686 PolarHBondContact O-N 2.91Å; F684-Q686 VanDerWaalsContact C-N 3.3Å; F684-Q686 PolarHBondContact O-N 2.94Å; Q686-N689 PolarHBondContact O-N 3.49Å; Q686-F690 VanDerWaalsContact O-CB 3.24Å; Q686-F690 WeakPolarHBondContact O-CB 3.34Å; Q686-F690 PolarHBondContact O-N 2.51Å; Q686-A740 HydrophobicContact CG-CB 4.49Å; Q686-I742 VanDerWaalsContact NE2-CG2 3.3Å
687	R	98.2	Very high	95.7	Very high	1 Å²	1	16.4 Å²	16.4	0%	0.004	8%	0.084	C	C	.	.	H	α-helix	trans	-65.4	-39.9	179.6	-73.9	-170.8	58.8	-126.1	-2.5	112.9	M443 H488 E490 H683 F684 F690 T691 A740	M443-R687 HydrophobicContact CE-CB 3.89Å; M443-R687 HydrophobicContact SD-CB 3.97Å; H488-R687 PolarHBondContact CD2-NH2 3.02Å; H488-R687 PolarHBondContact CE1-NH2 2.89Å; H488-R687 PolarHBondContact ND1-NH2 3.01Å; H488-R687 VanDerWaalsContact ND1-NH2 3.11Å; H488-R687 PolarHBondContact NE2-NH2 3.18Å; E490-R687 VanDerWaalsContact CD-NH1 3.34Å; E490-R687 VanDerWaalsContact OE1-CD 3.23Å; E490-R687 WeakPolarHBondContact OE1-CD 3.44Å; E490-R687 IonicContact OE1-CZ 3.95Å; E490-R687 IonicContact OE1-NE 2.7Å; E490-R687 PolarHBondContact OE1-NE 3.28Å; E490-R687 IonicContact OE1-NH1 2.71Å; E490-R687 PolarHBondContact OE1-NH1 3.34Å; E490-R687 IonicContact OE1-NH2 2.79Å; H683-R687 WeakPolarHBondContact NE2-CD 3.5Å; H683-R687 PolarHBondContact O-N 2.84Å; H683-R687 VanDerWaalsContact O-N 3.14Å; F684-R687 PolarHBondContact O-N 3.2Å; R687-F690 PolarHBondContact O-N 3.28Å; R687-T691 WeakPolarHBondContact O-CB 3.39Å; R687-T691 PolarHBondContact O-N 3.21Å; R687-T691 PolarHBondContact O-OG1 3.33Å; R687-A740 HydrophobicContact CG-CB 4.01Å
688	W	98.7	Very high	95.5	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-61.6	-52.6	176.3	177.5	-87.9	0	0	0	111.1	F441 M443 K471 M473 F684 F690 T691 K692 Y703 P704 L706	F441-W688 HydrophobicContact CB-CE3 4.2Å; F441-W688 HydrophobicContact CB-CH2 4.1Å; F441-W688 HydrophobicContact CB-CZ3 3.89Å; F441-W688 AromaticContact CD1-CH2 3.6Å; F441-W688 HydrophobicContact CD1-CH2 3.6Å; F441-W688 AromaticContact CD1-CZ2 3.5Å; F441-W688 HydrophobicContact CD1-CZ2 3.5Å; F441-W688 VanDerWaalsContact CD1-CZ2 3.5Å; F441-W688 HydrophobicContact CD1-CZ3 4.24Å; F441-W688 HydrophobicContact CE1-CZ2 4.12Å; F441-W688 HydrophobicContact CG-CH2 4.32Å; F441-W688 HydrophobicContact CG-CZ2 4.42Å; M443-W688 HydrophobicContact CG-CE3 3.76Å; M443-W688 HydrophobicContact CG-CZ3 4.29Å; M443-W688 HydrophobicContact SD-CB 3.96Å; M443-W688 HydrophobicContact SD-CE3 4.2Å; M443-W688 PolarHBondContact SD-N 2.99Å; K471-W688 HydrophobicContact CB-CH2 3.69Å; K471-W688 HydrophobicContact CB-CZ2 4.24Å; M473-W688 HydrophobicContact CB-CZ3 4.21Å; M473-W688 HydrophobicContact CE-CD2 4.05Å; M473-W688 HydrophobicContact CE-CE3 4.37Å; M473-W688 HydrophobicContact CE-CH2 3.95Å; M473-W688 HydrophobicContact CE-CZ2 3.61Å; M473-W688 HydrophobicContact CE-CZ3 4.33Å; M473-W688 HydrophobicContact CG-CE3 4.14Å; M473-W688 HydrophobicContact CG-CH2 3.91Å; M473-W688 HydrophobicContact CG-CZ3 3.71Å; M473-W688 HydrophobicContact SD-CD2 4.22Å; M473-W688 HydrophobicContact SD-CE3 4.14Å; M473-W688 HydrophobicContact SD-CH2 4.44Å; M473-W688 HydrophobicContact SD-CZ3 4.26Å; F684-W688 HydrophobicContact CD1-CB 4.49Å; F684-W688 HydrophobicContact CE1-CB 4.28Å; F684-W688 HydrophobicContact CE1-CE3 4.2Å; F684-W688 HydrophobicContact CZ-CE3 4.03Å; F684-W688 WeakPolarHBondContact O-CB 3.33Å; F684-W688 PolarHBondContact O-N 3.27Å; W688-F690 VanDerWaalsContact C-N 3.3Å; W688-F690 PolarHBondContact O-N 2.83Å; W688-T691 PolarHBondContact O-N 2.95Å; W688-K692 WeakPolarHBondContact O-CB 3.41Å; W688-K692 PolarHBondContact O-N 2.93Å; W688-Y703 AromaticContact CH2-CD1 3.83Å; W688-Y703 HydrophobicContact CH2-CD1 3.83Å; W688-Y703 HydrophobicContact CH2-CE1 4.39Å; W688-Y703 AromaticContact CZ2-CD1 3.84Å; W688-Y703 HydrophobicContact CZ2-CD1 3.84Å; W688-P704 PolarHBondContact NE1-O 3.31Å; W688-L706 HydrophobicContact CB-CD1 3.87Å; W688-L706 VanDerWaalsContact CD1-CG 3.46Å; W688-L706 HydrophobicContact CD2-CD1 3.88Å; W688-L706 HydrophobicContact CD2-CG 4.44Å; W688-L706 HydrophobicContact CG-CD1 3.49Å; W688-L706 VanDerWaalsContact CG-CD1 3.49Å; W688-L706 HydrophobicContact CG-CG 3.94Å
689	N	97.6	Very high	95.2	Very high	9 Å²	9	22.9 Å²	22.9	5%	0.048	11%	0.108	C	C	.	.	H	α-helix	trans	-64	-37	-179.2	-71.7	-20.4	0	0	0	111.5	I685 Q686 I693 F705 L706	I685-N689 WeakPolarHBondContact CG2-ND2 3.34Å; I685-N689 VanDerWaalsContact O-CB 3.25Å; I685-N689 WeakPolarHBondContact O-CB 3.38Å; I685-N689 PolarHBondContact O-N 3.41Å; I685-N689 PolarHBondContact O-ND2 2.46Å; Q686-N689 PolarHBondContact O-N 3.49Å; N689-I693 PolarHBondContact O-N 2.95Å; N689-F705 HydrophobicContact CB-CD1 4.02Å; N689-F705 HydrophobicContact CB-CE1 4.31Å; N689-F705 WeakPolarHBondContact OD1-CA 3.12Å; N689-F705 WeakPolarHBondContact OD1-CD1 3.28Å; N689-L706 PolarHBondContact ND2-O 2.84Å; N689-L706 PolarHBondContact OD1-N 3.44Å
690	F	95.3	Very high	94.8	Very high	13 Å²	13	25.8 Å²	25.8	6%	0.057	13%	0.129	C	C	.	.	H	α-helix	trans	-62.1	-52.9	171.1	169.4	-108.1	0	0	0	111.9	Q686 R687 W688 K692 I693 M694 D737 W738 G741	Q686-F690 VanDerWaalsContact O-CB 3.24Å; Q686-F690 WeakPolarHBondContact O-CB 3.34Å; Q686-F690 PolarHBondContact O-N 2.51Å; R687-F690 PolarHBondContact O-N 3.28Å; W688-F690 VanDerWaalsContact C-N 3.3Å; W688-F690 PolarHBondContact O-N 2.83Å; F690-K692 PolarHBondContact O-N 3.38Å; F690-I693 WeakPolarHBondContact O-CG1 3.11Å; F690-I693 PolarHBondContact O-N 3.43Å; F690-I693 VanDerWaalsContact O-N 3.1Å; F690-M694 HydrophobicContact CD1-CG 4.44Å; F690-M694 HydrophobicContact CD2-CG 3.82Å; F690-M694 HydrophobicContact CD2-SD 4.45Å; F690-M694 HydrophobicContact CE1-CG 4.1Å; F690-M694 HydrophobicContact CE2-CE 4.41Å; F690-M694 HydrophobicContact CE2-CG 3.43Å; F690-M694 VanDerWaalsContact CE2-CG 3.43Å; F690-M694 HydrophobicContact CE2-SD 3.76Å; F690-M694 HydrophobicContact CG-CG 4.32Å; F690-M694 HydrophobicContact CZ-CE 4.32Å; F690-M694 HydrophobicContact CZ-CG 3.6Å; F690-M694 HydrophobicContact CZ-SD 4.18Å; F690-M694 VanDerWaalsContact O-CG 3.29Å; F690-M694 WeakPolarHBondContact O-CG 3.5Å; F690-M694 PolarHBondContact O-N 3.15Å; F690-D737 WeakPolarHBondContact CZ-O 3.37Å; F690-W738 VanDerWaalsContact CE1-O 3.32Å; F690-W738 WeakPolarHBondContact CE1-O 3.47Å; F690-G741 VanDerWaalsContact CE2-CA 3.44Å
691	T	95.2	Very high	94.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-61.1	-37	-179.1	-57.5	0	0	0	0	111.7	M443 M473 H475 R687 W688 I693 M694 K695 Y698	M443-T691 VanDerWaalsContact CE-OG1 3.3Å; M443-T691 WeakPolarHBondContact CE-OG1 3.28Å; M473-T691 HydrophobicContact CB-CG2 4.25Å; M473-T691 HydrophobicContact SD-CG2 3.67Å; H475-T691 HydrophobicContact CB-CG2 4.05Å; R687-T691 WeakPolarHBondContact O-CB 3.39Å; R687-T691 PolarHBondContact O-N 3.21Å; R687-T691 PolarHBondContact O-OG1 3.33Å; W688-T691 PolarHBondContact O-N 2.95Å; T691-I693 PolarHBondContact O-N 3.17Å; T691-M694 PolarHBondContact O-N 3.18Å; T691-K695 HydrophobicContact CG2-CD 4.05Å; T691-K695 PolarHBondContact O-N 3.33Å; T691-Y698 HydrophobicContact CG2-CD2 4.03Å; T691-Y698 HydrophobicContact CG2-CE2 4.1Å
692	K	94.8	Very high	94.2	Very high	7 Å²	7	34.1 Å²	34.1	3%	0.03	18%	0.177	C	C	.	.	H	α-helix	trans	-57.3	-45.7	174.6	-177.6	173.9	167.9	60.3	0	112.4	M473 W688 F690 Y698 R699 S700 Y703 F705	M473-K692 HydrophobicContact CE-CB 3.93Å; M473-K692 HydrophobicContact CE-CG 4.39Å; W688-K692 WeakPolarHBondContact O-CB 3.41Å; W688-K692 PolarHBondContact O-N 2.93Å; F690-K692 PolarHBondContact O-N 3.38Å; K692-Y698 WeakPolarHBondContact CG-O 3.29Å; K692-Y698 PolarHBondContact NZ-O 3.14Å; K692-R699 PolarHBondContact NZ-O 3.17Å; K692-R699 VanDerWaalsContact NZ-O 3.15Å; K692-R699 WeakPolarHBondContact O-CG 3.17Å; K692-S700 PolarHBondContact NZ-O 3.04Å; K692-Y703 WeakPolarHBondContact CD-O 3.43Å; K692-Y703 WeakPolarHBondContact CE-O 3.21Å; K692-Y703 PolarHBondContact NZ-O 2.62Å; K692-F705 HydrophobicContact CD-CD1 4.16Å; K692-F705 HydrophobicContact CD-CD2 4.01Å; K692-F705 HydrophobicContact CD-CE1 4.09Å; K692-F705 HydrophobicContact CD-CE2 3.95Å; K692-F705 HydrophobicContact CD-CG 4.11Å; K692-F705 HydrophobicContact CD-CZ 3.99Å
693	I	90.5	Very high	94.1	Very high	29 Å²	29	34.4 Å²	34.4	15%	0.149	18%	0.178	C	C	.	.	H	α-helix	trans	-76	-35.4	-178	60.3	167.4	0	0	0	112	F297 N689 F690 T691 K695 R699 F705	F297-I693 HydrophobicContact CD2-CG2 4.37Å; F297-I693 HydrophobicContact CE2-CD1 4.4Å; F297-I693 HydrophobicContact CE2-CG2 4.38Å; N689-I693 PolarHBondContact O-N 2.95Å; F690-I693 WeakPolarHBondContact O-CG1 3.11Å; F690-I693 PolarHBondContact O-N 3.43Å; F690-I693 VanDerWaalsContact O-N 3.1Å; T691-I693 PolarHBondContact O-N 3.17Å; I693-K695 PolarHBondContact O-N 3Å; I693-R699 PolarHBondContact O-NE 2.94Å; I693-R699 PolarHBondContact O-NH2 3.4Å; I693-F705 HydrophobicContact CG2-CE1 3.99Å; I693-F705 HydrophobicContact CG2-CZ 3.86Å
694	M	85.9	Confident	94	Very high	43 Å²	43	35.8 Å²	35.8	21%	0.212	19%	0.187	C	C	.	.	H	α-helix	trans	-68.1	-36	-176.5	-70.7	-58.2	-73.4	0	0	112.1	I258 P259 F690 T691	I258-M694 HydrophobicContact CB-SD 4.2Å; I258-M694 HydrophobicContact CG1-SD 4.08Å; I258-M694 HydrophobicContact CG2-CE 3.71Å; I258-M694 HydrophobicContact CG2-SD 3.79Å; P259-M694 HydrophobicContact CG-CE 4.09Å; F690-M694 HydrophobicContact CD1-CG 4.44Å; F690-M694 HydrophobicContact CD2-CG 3.82Å; F690-M694 HydrophobicContact CD2-SD 4.45Å; F690-M694 HydrophobicContact CE1-CG 4.1Å; F690-M694 HydrophobicContact CE2-CE 4.41Å; F690-M694 HydrophobicContact CE2-CG 3.43Å; F690-M694 VanDerWaalsContact CE2-CG 3.43Å; F690-M694 HydrophobicContact CE2-SD 3.76Å; F690-M694 HydrophobicContact CG-CG 4.32Å; F690-M694 HydrophobicContact CZ-CE 4.32Å; F690-M694 HydrophobicContact CZ-CG 3.6Å; F690-M694 HydrophobicContact CZ-SD 4.18Å; F690-M694 VanDerWaalsContact O-CG 3.29Å; F690-M694 WeakPolarHBondContact O-CG 3.5Å; F690-M694 PolarHBondContact O-N 3.15Å; T691-M694 PolarHBondContact O-N 3.18Å
695	K	88	Confident	94	Very high	10 Å²	10	36.8 Å²	36.8	4%	0.043	19%	0.192	C	C	.	.			trans	-109.9	113.6	-170.4	-62.3	178.5	68.2	145.9	0	111.3	R474 D477 T691 I693 K697 Y698	R474-K695 PolarHBondContact O-NZ 3.01Å; D477-K695 VanDerWaalsContact CG-CE 3.48Å; D477-K695 IonicContact OD1-NZ 3.73Å; D477-K695 PolarHBondContact OD1-NZ 2.66Å; D477-K695 WeakPolarHBondContact OD2-CE 3.43Å; D477-K695 IonicContact OD2-NZ 3.32Å; D477-K695 PolarHBondContact OD2-NZ 3.27Å; T691-K695 HydrophobicContact CG2-CD 4.05Å; T691-K695 PolarHBondContact O-N 3.33Å; I693-K695 PolarHBondContact O-N 3Å; K695-K697 HydrophobicContact CB-CG 4.36Å; K695-K697 PolarHBondContact O-N 3.19Å; K695-K697 VanDerWaalsContact O-N 3.09Å; K695-Y698 HydrophobicContact CB-CD2 3.69Å; K695-Y698 HydrophobicContact CB-CE2 4.22Å; K695-Y698 HydrophobicContact CB-CG 4.36Å; K695-Y698 HydrophobicContact CD-CD2 4Å; K695-Y698 HydrophobicContact CD-CE2 3.76Å; K695-Y698 HydrophobicContact CG-CD2 4.38Å; K695-Y698 PolarHBondContact O-N 3.04Å
696	P	87.9	Confident	94	Very high	96 Å²	96	36.8 Å²	36.8	62%	0.623	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-50.2	-39.9	-178.4	-30.8	36.1	0	0	0	114.5	Y698 R699	P696-Y698 PolarHBondContact O-N 3.06Å; P696-Y698 VanDerWaalsContact O-N 3.12Å; P696-R699 WeakPolarHBondContact O-CB 3.31Å; P696-R699 PolarHBondContact O-N 3.48Å
697	K	91.1	Very high	94	Very high	106 Å²	106	36.2 Å²	36.2	46%	0.461	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-59	-23.2	177.7	63.7	173.5	172	-177.2	0	114.8	K695	K695-K697 HydrophobicContact CB-CG 4.36Å; K695-K697 PolarHBondContact O-N 3.19Å; K695-K697 VanDerWaalsContact O-N 3.09Å
698	Y	94.6	Very high	94	Very high	1 Å²	1	36.4 Å²	36.4	0%	0.004	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-99.3	-4.6	179.9	-60.2	-32.1	0	0	0	112.7	K460 M473 R474 T691 K692 K695 P696 S700 Y703	K460-Y698 PolarHBondContact NZ-OH 2.97Å; M473-Y698 HydrophobicContact CB-CD2 4.38Å; M473-Y698 HydrophobicContact CB-CE2 3.92Å; M473-Y698 HydrophobicContact CE-CD2 4.2Å; M473-Y698 HydrophobicContact CE-CG 3.91Å; M473-Y698 HydrophobicContact CG-CD1 4.3Å; M473-Y698 HydrophobicContact CG-CD2 3.87Å; M473-Y698 HydrophobicContact CG-CE1 4.33Å; M473-Y698 HydrophobicContact CG-CE2 3.86Å; M473-Y698 HydrophobicContact CG-CG 4.11Å; M473-Y698 HydrophobicContact SD-CD2 3.61Å; M473-Y698 HydrophobicContact SD-CE2 4.12Å; M473-Y698 HydrophobicContact SD-CG 3.94Å; R474-Y698 PolarHBondContact N-OH 3.13Å; T691-Y698 HydrophobicContact CG2-CD2 4.03Å; T691-Y698 HydrophobicContact CG2-CE2 4.1Å; K692-Y698 WeakPolarHBondContact CG-O 3.29Å; K692-Y698 PolarHBondContact NZ-O 3.14Å; K695-Y698 HydrophobicContact CB-CD2 3.69Å; K695-Y698 HydrophobicContact CB-CE2 4.22Å; K695-Y698 HydrophobicContact CB-CG 4.36Å; K695-Y698 HydrophobicContact CD-CD2 4Å; K695-Y698 HydrophobicContact CD-CE2 3.76Å; K695-Y698 HydrophobicContact CG-CD2 4.38Å; K695-Y698 PolarHBondContact O-N 3.04Å; P696-Y698 PolarHBondContact O-N 3.06Å; P696-Y698 VanDerWaalsContact O-N 3.12Å; Y698-S700 PolarHBondContact O-N 2.6Å; Y698-Y703 HydrophobicContact CD1-CD1 4.32Å; Y698-Y703 HydrophobicContact CD1-CD2 4.35Å; Y698-Y703 AromaticContact CD1-CE1 3.94Å; Y698-Y703 HydrophobicContact CD1-CE1 3.94Å; Y698-Y703 HydrophobicContact CD1-CE2 4.01Å; Y698-Y703 AromaticContact CD1-CZ 3.78Å; Y698-Y703 HydrophobicContact CE1-CE1 4.22Å
699	R	90.9	Very high	94	Very high	139 Å²	139	36.7 Å²	36.7	53%	0.525	19%	0.191	S	C	.	.			trans	-69.9	-18.4	-179.7	-66.3	-177.3	-176.1	164.9	1.5	113.6	K692 I693 P696	K692-R699 PolarHBondContact NZ-O 3.17Å; K692-R699 VanDerWaalsContact NZ-O 3.15Å; K692-R699 WeakPolarHBondContact O-CG 3.17Å; I693-R699 PolarHBondContact O-NE 2.94Å; I693-R699 PolarHBondContact O-NH2 3.4Å; P696-R699 WeakPolarHBondContact O-CB 3.31Å; P696-R699 PolarHBondContact O-N 3.48Å
700	S	92	Very high	93.9	Very high	63 Å²	63	36.2 Å²	36.2	44%	0.441	19%	0.189	S	C	.	.	S	Bend	trans	-51.6	148.6	173.3	174.6	0	0	0	0	112.5	K692 Y698 S702 Y703	K692-S700 PolarHBondContact NZ-O 3.04Å; Y698-S700 PolarHBondContact O-N 2.6Å; S700-S702 WeakPolarHBondContact CB-OG 3.16Å; S700-S702 PolarHBondContact O-N 3.11Å; S700-S702 PolarHBondContact OG-N 2.73Å; S700-S702 PolarHBondContact OG-OG 2.94Å; S700-Y703 PolarHBondContact O-N 2.95Å
701	L	90.5	Very high	93.9	Very high	119 Å²	119	36.2 Å²	36.2	62%	0.623	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-20.5	174.7	-64.6	179.1	0	0	0	112.9	A294 Y703	A294-L701 HydrophobicContact CB-CD1 4.32Å; A294-L701 HydrophobicContact CB-CD2 3.71Å; L701-Y703 PolarHBondContact O-N 3.07Å; L701-Y703 VanDerWaalsContact O-N 3.16Å
702	S	93.7	Very high	93.7	Very high	56 Å²	56	39.6 Å²	39.6	39%	0.392	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-21	173.7	60.4	0	0	0	0	113.8	K471 S700	K471-S702 VanDerWaalsContact CD-O 3.26Å; K471-S702 WeakPolarHBondContact CD-O 3.43Å; K471-S702 WeakPolarHBondContact CE-O 3.43Å; S700-S702 WeakPolarHBondContact CB-OG 3.16Å; S700-S702 PolarHBondContact O-N 3.11Å; S700-S702 PolarHBondContact OG-N 2.73Å; S700-S702 PolarHBondContact OG-OG 2.94Å
703	Y	97.2	Very high	93.6	Very high	16 Å²	16	39.3 Å²	39.3	6%	0.063	21%	0.212	C	C	.	.	S	Bend	trans	-107.4	101.8	167.3	-69.8	-99.9	0	0	0	107	K460 M464 K471 M473 W688 K692 Y698 S700 L701	K460-Y703 PolarHBondContact NZ-OH 3.31Å; M464-Y703 WeakPolarHBondContact CE-OH 3.18Å; K471-Y703 HydrophobicContact CB-CD1 4Å; K471-Y703 HydrophobicContact CB-CE1 4.02Å; K471-Y703 HydrophobicContact CD-CE1 4.49Å; M473-Y703 HydrophobicContact CE-CD1 3.4Å; M473-Y703 VanDerWaalsContact CE-CD1 3.4Å; M473-Y703 HydrophobicContact CE-CE1 4.25Å; M473-Y703 HydrophobicContact CE-CG 3.87Å; M473-Y703 HydrophobicContact CG-CD1 4.01Å; M473-Y703 HydrophobicContact CG-CE1 3.98Å; W688-Y703 AromaticContact CH2-CD1 3.83Å; W688-Y703 HydrophobicContact CH2-CD1 3.83Å; W688-Y703 HydrophobicContact CH2-CE1 4.39Å; W688-Y703 AromaticContact CZ2-CD1 3.84Å; W688-Y703 HydrophobicContact CZ2-CD1 3.84Å; K692-Y703 WeakPolarHBondContact CD-O 3.43Å; K692-Y703 WeakPolarHBondContact CE-O 3.21Å; K692-Y703 PolarHBondContact NZ-O 2.62Å; Y698-Y703 HydrophobicContact CD1-CD1 4.32Å; Y698-Y703 HydrophobicContact CD1-CD2 4.35Å; Y698-Y703 AromaticContact CD1-CE1 3.94Å; Y698-Y703 HydrophobicContact CD1-CE1 3.94Å; Y698-Y703 HydrophobicContact CD1-CE2 4.01Å; Y698-Y703 AromaticContact CD1-CZ 3.78Å; Y698-Y703 HydrophobicContact CE1-CE1 4.22Å; S700-Y703 PolarHBondContact O-N 2.95Å; L701-Y703 PolarHBondContact O-N 3.07Å; L701-Y703 VanDerWaalsContact O-N 3.16Å
704	P	96.8	Very high	93.7	Very high	31 Å²	31	38 Å²	38	20%	0.201	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-68.6	159.3	-177	28.8	-35.1	0	0	0	111.4	Y72 F441 W688 L706	Y72-P704 HydrophobicContact CD1-CB 3.87Å; Y72-P704 HydrophobicContact CD1-CG 3.93Å; Y72-P704 HydrophobicContact CE1-CB 3.78Å; Y72-P704 HydrophobicContact CE1-CG 3.64Å; F441-P704 HydrophobicContact CE1-CG 3.53Å; F441-P704 HydrophobicContact CZ-CG 3.78Å; W688-P704 PolarHBondContact NE1-O 3.31Å; P704-L706 HydrophobicContact CG-CD2 4.39Å
705	F	98	Very high	93.8	Very high	21 Å²	21	41.4 Å²	41.4	9%	0.092	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-72.8	138.8	157.9	-81	-83.6	0	0	0	108.2	I295 S296 F297 V298 N689 K692 I693	I295-F705 HydrophobicContact CG2-CB 3.9Å; I295-F705 HydrophobicContact CG2-CD2 4.4Å; I295-F705 HydrophobicContact CG2-CG 4.36Å; I295-F705 WeakPolarHBondContact O-CD2 3.14Å; S296-F705 WeakPolarHBondContact O-CE2 3.32Å; S296-F705 VanDerWaalsContact O-CZ 3.29Å; S296-F705 WeakPolarHBondContact O-CZ 3.42Å; F297-F705 HydrophobicContact CD2-CE1 4.19Å; F297-F705 HydrophobicContact CD2-CZ 4.33Å; V298-F705 HydrophobicContact CG2-CB 3.88Å; V298-F705 HydrophobicContact CG2-CD1 4.24Å; V298-F705 HydrophobicContact CG2-CG 4.3Å; N689-F705 HydrophobicContact CB-CD1 4.02Å; N689-F705 HydrophobicContact CB-CE1 4.31Å; N689-F705 WeakPolarHBondContact OD1-CA 3.12Å; N689-F705 WeakPolarHBondContact OD1-CD1 3.28Å; K692-F705 HydrophobicContact CD-CD1 4.16Å; K692-F705 HydrophobicContact CD-CD2 4.01Å; K692-F705 HydrophobicContact CD-CE1 4.09Å; K692-F705 HydrophobicContact CD-CE2 3.95Å; K692-F705 HydrophobicContact CD-CG 4.11Å; K692-F705 HydrophobicContact CD-CZ 3.99Å; I693-F705 HydrophobicContact CG2-CE1 3.99Å; I693-F705 HydrophobicContact CG2-CZ 3.86Å
706	L	98.6	Very high	93.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-95	147.6	176.9	-55.3	177.9	0	0	0	110.2	Y72 F400 F441 F684 I685 W688 N689 P704	Y72-L706 HydrophobicContact CE1-CD2 4.24Å; Y72-L706 WeakPolarHBondContact OH-CD2 3.29Å; F400-L706 HydrophobicContact CE1-CD1 4.09Å; F400-L706 HydrophobicContact CZ-CD1 4.34Å; F441-L706 HydrophobicContact CB-CD1 4.45Å; F441-L706 HydrophobicContact CD1-CD2 4.08Å; F441-L706 HydrophobicContact CD2-CD1 4.37Å; F441-L706 HydrophobicContact CD2-CD2 3.9Å; F441-L706 HydrophobicContact CE1-CD2 3.79Å; F441-L706 HydrophobicContact CE2-CD2 3.54Å; F441-L706 HydrophobicContact CG-CD1 4.23Å; F441-L706 HydrophobicContact CG-CD2 4.12Å; F441-L706 HydrophobicContact CZ-CD2 3.48Å; F441-L706 VanDerWaalsContact CZ-CD2 3.48Å; F684-L706 HydrophobicContact CD1-CD1 3.88Å; F684-L706 HydrophobicContact CE1-CD1 3.54Å; I685-L706 HydrophobicContact CB-CB 4.35Å; I685-L706 HydrophobicContact CG1-CB 3.84Å; I685-L706 HydrophobicContact CG1-CD1 4.4Å; I685-L706 HydrophobicContact CG2-CB 4.03Å; I685-L706 WeakPolarHBondContact CG2-O 3.47Å; W688-L706 HydrophobicContact CB-CD1 3.87Å; W688-L706 VanDerWaalsContact CD1-CG 3.46Å; W688-L706 HydrophobicContact CD2-CD1 3.88Å; W688-L706 HydrophobicContact CD2-CG 4.44Å; W688-L706 HydrophobicContact CG-CD1 3.49Å; W688-L706 VanDerWaalsContact CG-CD1 3.49Å; W688-L706 HydrophobicContact CG-CG 3.94Å; N689-L706 PolarHBondContact ND2-O 2.84Å; N689-L706 PolarHBondContact OD1-N 3.44Å; P704-L706 HydrophobicContact CG-CD2 4.39Å
707	L	98.6	Very high	93.8	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	23%	0.226	C	C	.	.			trans	-117.6	136.6	-180	-56.4	-175.1	0	0	0	109.7	F68 V71 L240 F284 L286 I295 V298 Q497	F68-L707 HydrophobicContact CZ-CB 4.33Å; F68-L707 WeakPolarHBondContact CZ-O 3.41Å; V71-L707 HydrophobicContact CB-CD1 4.2Å; V71-L707 HydrophobicContact CG1-CD1 3.96Å; L240-L707 HydrophobicContact CD1-CD1 4.33Å; L240-L707 HydrophobicContact CD2-CB 4.17Å; L240-L707 HydrophobicContact CD2-CD1 4.08Å; F284-L707 HydrophobicContact CD2-CD2 4.47Å; F284-L707 HydrophobicContact CE2-CD2 4.01Å; F284-L707 HydrophobicContact CZ-CB 4.3Å; F284-L707 HydrophobicContact CZ-CD1 4.35Å; F284-L707 HydrophobicContact CZ-CD2 4.32Å; L286-L707 HydrophobicContact CD2-CD1 3.77Å; L286-L707 HydrophobicContact CD2-CD2 3.56Å; L286-L707 HydrophobicContact CD2-CG 4.35Å; I295-L707 HydrophobicContact CD1-CD1 3.93Å; I295-L707 HydrophobicContact CD1-CD2 4.43Å; I295-L707 HydrophobicContact CD1-CG 4.34Å; V298-L707 HydrophobicContact CB-CD2 4.38Å; V298-L707 HydrophobicContact CG1-CD2 4.04Å; V298-L707 HydrophobicContact CG2-CD2 3.39Å; Q497-L707 PolarHBondContact NE2-O 2.91Å
708	P	98.1	Very high	93.7	Very high	4 Å²	4	45 Å²	45	3%	0.026	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-74.6	141.7	172.6	32.4	-34.4	0	0	0	110.1	F284 L300 I685	F284-P708 HydrophobicContact CD1-CG 3.42Å; F284-P708 VanDerWaalsContact CD1-CG 3.42Å; F284-P708 HydrophobicContact CE1-CG 3.92Å; F284-P708 HydrophobicContact CG-CG 4.22Å; L300-P708 HydrophobicContact CD2-CG 4.1Å; I685-P708 HydrophobicContact CD1-CB 3.99Å
709	K	98	Very high	93.7	Very high	6 Å²	6	47.6 Å²	47.6	3%	0.026	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-70.3	140.5	165.2	-66.8	-169.4	-178.7	-163.5	0	110.2	F68 D239 E397 D496 Q497	F68-K709 HydrophobicContact CD2-CD 4.33Å; F68-K709 HydrophobicContact CD2-CG 3.83Å; F68-K709 HydrophobicContact CE2-CG 3.59Å; F68-K709 HydrophobicContact CG-CG 4.41Å; F68-K709 HydrophobicContact CZ-CG 4.05Å; D239-K709 HydrophobicContact CB-CD 4.01Å; D239-K709 HydrophobicContact CB-CG 4.12Å; D239-K709 CarbonylContact O-C 3.47Å; D239-K709 VanDerWaalsContact O-CA 3.22Å; D239-K709 WeakPolarHBondContact O-CA 3.43Å; D239-K709 WeakPolarHBondContact OD2-CE 3.46Å; D239-K709 IonicContact OD2-NZ 2.75Å; D239-K709 PolarHBondContact OD2-NZ 2.97Å; E397-K709 IonicContact OE2-NZ 3.4Å; E397-K709 PolarHBondContact OE2-NZ 3.42Å; D496-K709 PolarHBondContact O-NZ 3.46Å; Q497-K709 HydrophobicContact CB-CB 4.48Å; Q497-K709 HydrophobicContact CB-CD 4.14Å; Q497-K709 HydrophobicContact CB-CG 4.25Å; Q497-K709 HydrophobicContact CG-CD 4.48Å; Q497-K709 HydrophobicContact CG-CG 4.33Å
710	S	96.7	Very high	94	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-65.9	138.2	-176.4	165.9	0	0	0	0	111.9	D239 G241 D282 R678 S712 S713	D239-S710 PolarHBondContact O-N 3.13Å; G241-S710 WeakPolarHBondContact CA-OG 3.27Å; D282-S710 VanDerWaalsContact OD2-CB 3.24Å; D282-S710 WeakPolarHBondContact OD2-CB 3.31Å; D282-S710 PolarHBondContact OD2-OG 3.39Å; R678-S710 PolarHBondContact NH1-O 3.04Å; S710-S712 PolarHBondContact O-N 2.82Å; S710-S712 PolarHBondContact OG-N 3.45Å; S710-S712 PolarHBondContact OG-OG 3.39Å; S710-S713 PolarHBondContact O-N 2.76Å
711	H	94	Very high	94.3	Very high	13 Å²	13	42.5 Å²	42.5	6%	0.06	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-58	-12.9	176.7	-75.3	-170.9	0	0	0	115	F357 R675 D679 A714	F357-H711 AromaticContact CE1-CE1 3.53Å; F357-H711 AromaticContact CE1-NE2 3.88Å; F357-H711 AromaticContact CZ-CE1 3.44Å; F357-H711 VanDerWaalsContact CZ-CE1 3.44Å; F357-H711 WeakPolarHBondContact CZ-CE1 3.22Å; F357-H711 AromaticContact CZ-CG 3.97Å; F357-H711 AromaticContact CZ-ND1 3.61Å; F357-H711 AromaticContact CZ-NE2 3.66Å; R675-H711 VanDerWaalsContact CZ-O 3.26Å; R675-H711 PolarHBondContact NH1-O 2.78Å; R675-H711 PolarHBondContact NH2-O 3.4Å; D679-H711 IonicContact OD1-CE1 3.7Å; D679-H711 PolarHBondContact OD1-CE1 3.39Å; D679-H711 VanDerWaalsContact OD1-CE1 3.28Å; D679-H711 IonicContact OD1-NE2 2.69Å; D679-H711 PolarHBondContact OD1-NE2 3.12Å; H711-A714 WeakPolarHBondContact O-CB 3.15Å; H711-A714 PolarHBondContact O-N 2.92Å
712	S	92.1	Very high	94.7	Very high	71 Å²	71	40.7 Å²	40.7	50%	0.497	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-67.5	-32.2	177.6	65.6	0	0	0	0	114.1	S710	S710-S712 PolarHBondContact O-N 2.82Å; S710-S712 PolarHBondContact OG-N 3.45Å; S710-S712 PolarHBondContact OG-OG 3.39Å
713	S	92.8	Very high	94.8	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.007	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-95.6	13	179	70.5	0	0	0	0	113.4	D239 R678 S710 D715 E716	D239-S713 WeakPolarHBondContact OD1-CB 3.39Å; D239-S713 PolarHBondContact OD1-OG 2.93Å; R678-S713 VanDerWaalsContact CZ-C 3.49Å; R678-S713 PolarHBondContact NH1-O 2.92Å; R678-S713 PolarHBondContact NH1-OG 3.16Å; R678-S713 VanDerWaalsContact NH2-C 3.29Å; R678-S713 PolarHBondContact NH2-O 2.99Å; R678-S713 PolarHBondContact NH2-OG 3.02Å; S710-S713 PolarHBondContact O-N 2.76Å; S713-D715 PolarHBondContact O-N 3.46Å; S713-E716 PolarHBondContact O-N 3.08Å
714	A	92.4	Very high	94.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-21.3	-169.4	0	0	0	0	0	113.6	G674 R675 R678 H711 E716	G674-A714 WeakPolarHBondContact CA-O 3.42Å; R675-A714 HydrophobicContact CB-CB 4.34Å; R675-A714 HydrophobicContact CG-CB 3.37Å; R678-A714 VanDerWaalsContact NH1-CA 3.31Å; H711-A714 WeakPolarHBondContact O-CB 3.15Å; H711-A714 PolarHBondContact O-N 2.92Å; A714-E716 VanDerWaalsContact C-N 3.33Å
715	D	88.1	Confident	94.7	Very high	115 Å²	115	42.5 Å²	42.5	62%	0.615	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-6.5	-177	-50.3	-42.4	0	0	0	111	R675 S713 L717	R675-D715 IonicContact CZ-OD2 3.13Å; R675-D715 IonicContact NE-OD1 2.74Å; R675-D715 IonicContact NE-OD2 2.67Å; R675-D715 IonicContact NH2-OD2 2.77Å; R675-D715 PolarHBondContact NH2-OD2 3.38Å; S713-D715 PolarHBondContact O-N 3.46Å; D715-L717 VanDerWaalsContact C-N 3.35Å; D715-L717 PolarHBondContact O-N 2.81Å; D715-L717 VanDerWaalsContact O-N 3.09Å
716	E	89.4	Confident	94.7	Very high	88 Å²	88	44.8 Å²	44.8	41%	0.411	25%	0.252	S	S	.	.			trans	-82.8	67.7	174.8	-60	-171.4	174	0	0	111.9	R65 H238 S713 A714 K718	R65-E716 IonicContact CZ-OE1 2.97Å; R65-E716 IonicContact NH1-OE1 3.82Å; R65-E716 PolarHBondContact NH1-OE1 3.08Å; R65-E716 IonicContact NH1-OE2 2.86Å; R65-E716 PolarHBondContact NH1-OE2 3.33Å; R65-E716 IonicContact NH2-OE1 3.45Å; R65-E716 PolarHBondContact NH2-OE1 3.45Å; H238-E716 VanDerWaalsContact CE1-CD 3.48Å; H238-E716 IonicContact CE1-OE1 2.57Å; H238-E716 PolarHBondContact CE1-OE1 3.07Å; H238-E716 IonicContact CE1-OE2 3.81Å; H238-E716 PolarHBondContact CE1-OE2 3.44Å; H238-E716 VanDerWaalsContact CE1-OE2 3.32Å; H238-E716 IonicContact ND1-OE2 3.5Å; H238-E716 IonicContact NE2-OE1 2.94Å; S713-E716 PolarHBondContact O-N 3.08Å; A714-E716 VanDerWaalsContact C-N 3.33Å; E716-K718 PolarHBondContact O-N 3.1Å
717	L	86.1	Confident	94.6	Very high	55 Å²	55	44.8 Å²	44.8	29%	0.288	25%	0.252	S	S	.	.			trans	-76.3	116.8	-179.7	-61.6	177.4	0	0	0	112.1	P374 H673 D715	P374-L717 HydrophobicContact CG-CD1 4.4Å; H673-L717 HydrophobicContact CB-CD1 3.95Å; H673-L717 HydrophobicContact CB-CD2 4.17Å; D715-L717 VanDerWaalsContact C-N 3.35Å; D715-L717 PolarHBondContact O-N 2.81Å; D715-L717 VanDerWaalsContact O-N 3.09Å
718	K	89.1	Confident	94.6	Very high	146 Å²	146	46.4 Å²	46.4	64%	0.635	26%	0.259	S	S	*	.	S	Bend	trans	-80.7	-26.8	174.8	-63.3	178.4	-175.1	170.4	0	113.4	E716	E716-K718 PolarHBondContact O-N 3.1Å
719	Y	95.3	Very high	94.6	Very high	55 Å²	55	46.2 Å²	46.2	22%	0.216	26%	0.257	C	S	.	.			trans	-143.3	140.1	178.5	173.6	-104.6	0	0	0	108.2	A391 E394 V499 V721	A391-Y719 HydrophobicContact CB-CD1 4.35Å; A391-Y719 HydrophobicContact CB-CE1 3.76Å; E394-Y719 HydrophobicContact CB-CD2 4.18Å; E394-Y719 HydrophobicContact CB-CG 4.11Å; E394-Y719 HydrophobicContact CG-CD2 3.72Å; E394-Y719 HydrophobicContact CG-CE2 4.03Å; E394-Y719 HydrophobicContact CG-CG 4.18Å; V499-Y719 HydrophobicContact CG2-CD1 4.17Å; Y719-V721 HydrophobicContact CE1-CG2 3.91Å
720	Q	97.4	Very high	94.6	Very high	94 Å²	94	46 Å²	46	44%	0.439	26%	0.256	S	S	.	.			trans	-132.4	132.6	173.8	-178.9	179.2	-29.8	0	0	108.1
721	V	98.1	Very high	94.8	Very high	1 Å²	1	46 Å²	46	1%	0.006	26%	0.256	C	S	.	.			trans	-63	135.2	175.9	175	0	0	0	0	109.9	K376 Y378 D387 V499 F501 V671 H673 Y719 C724	K376-V721 HydrophobicContact CD-CG1 3.92Å; Y378-V721 WeakPolarHBondContact OH-CG1 3.33Å; D387-V721 HydrophobicContact CB-CG1 4.14Å; D387-V721 VanDerWaalsContact OD2-CG1 3.23Å; D387-V721 WeakPolarHBondContact OD2-CG1 3.28Å; V499-V721 HydrophobicContact CG1-CG2 4.1Å; F501-V721 HydrophobicContact CZ-CG2 3.98Å; V671-V721 HydrophobicContact CG1-CB 4.18Å; V671-V721 HydrophobicContact CG1-CG1 4.19Å; V671-V721 HydrophobicContact CG1-CG2 4.22Å; V671-V721 HydrophobicContact CG2-CG2 4.04Å; H673-V721 PolarHBondContact NE2-N 3.22Å; Y719-V721 HydrophobicContact CE1-CG2 3.91Å; V721-C724 PolarHBondContact O-SG 3.38Å
722	P	97.4	Very high	95	Very high	80 Å²	80	45.4 Å²	45.4	52%	0.519	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	143.4	179.3	27	-35.4	0	0	0	112.2	K376	K376-P722 WeakPolarHBondContact CD-O 3.24Å; K376-P722 PolarHBondContact NZ-O 3.11Å
723	G	96.3	Very high	95.3	Very high	68 Å²	68	42.1 Å²	42.1	70%	0.701	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.2	17.3	176.6	0	0	0	0	0	115
724	C	96.9	Very high	95.6	Very high	23 Å²	23	42 Å²	42	16%	0.155	23%	0.23	C	C	.	.			trans	-70.4	147.5	170.2	-68.6	0	0	0	0	112.4	P374 A375 H673 V721	P374-C724 HydrophobicContact CB-CB 3.89Å; A375-C724 CarbonylContact O-C 3.35Å; A375-C724 VanDerWaalsContact O-CA 3.27Å; A375-C724 WeakPolarHBondContact O-CA 3.24Å; H673-C724 PolarHBondContact CE1-SG 3.26Å; V721-C724 PolarHBondContact O-SG 3.38Å
725	V	95.9	Very high	95.8	Very high	51 Å²	51	42 Å²	42	31%	0.309	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	148.6	168.1	-62.5	0	0	0	0	109.2	A375 Y938	A375-V725 PolarHBondContact N-O 2.86Å; A375-V725 PolarHBondContact O-N 3.03Å; V725-Y938 HydrophobicContact CG2-CD2 3.53Å; V725-Y938 HydrophobicContact CG2-CG 4.14Å
726	N	96.5	Very high	96.1	Very high	69 Å²	69	37 Å²	37	37%	0.369	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	128.8	178.4	-72.4	-22.3	0	0	0	110	P374	P374-N726 WeakPolarHBondContact CG-OD1 3.49Å
727	A	97.2	Very high	96.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	167.2	179.8	0	0	0	0	0	111.3	N372 V373 V918	N372-A727 PolarHBondContact N-O 3.17Å; V373-A727 PolarHBondContact N-O 2.71Å; V373-A727 PolarHBondContact O-N 2.79Å; A727-V918 HydrophobicContact CB-CG1 3.46Å; A727-V918 VanDerWaalsContact CB-CG1 3.46Å
728	K	98.6	Very high	96.5	Very high	35 Å²	35	33.9 Å²	33.9	15%	0.152	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	125.8	166.4	179.2	-178.7	173.7	119.6	0	108.7	E369 Q370 E371 V918 E919 S921	E369-K728 WeakPolarHBondContact OE2-CE 3.32Å; E369-K728 IonicContact OE2-NZ 3.1Å; E369-K728 PolarHBondContact OE2-NZ 2.71Å; Q370-K728 CarbonylContact O-C 3.55Å; Q370-K728 WeakPolarHBondContact O-CA 3.29Å; E371-K728 VanDerWaalsContact OE1-CD 3.3Å; E371-K728 WeakPolarHBondContact OE1-CD 3.37Å; E371-K728 WeakPolarHBondContact OE1-CE 3.38Å; E371-K728 IonicContact OE1-NZ 3.47Å; E371-K728 PolarHBondContact OE1-NZ 3.07Å; K728-V918 CarbonylContact O-C 3.55Å; K728-V918 WeakPolarHBondContact O-CA 3.5Å; K728-E919 HydrophobicContact CB-CB 4.24Å; K728-E919 WeakPolarHBondContact CB-O 3.3Å; K728-E919 WeakPolarHBondContact CD-OE2 3.39Å; K728-E919 WeakPolarHBondContact CE-OE2 3.45Å; K728-E919 PolarHBondContact N-O 3.04Å; K728-E919 PolarHBondContact O-N 3.46Å; K728-S921 PolarHBondContact N-OG 2.76Å
729	V	98.6	Very high	96.7	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	139.6	-175.6	174.1	0	0	0	0	110.3	Q370 V373 A375 V672 I917 V918	Q370-V729 PolarHBondContact N-O 3.37Å; Q370-V729 PolarHBondContact O-N 3.49Å; V373-V729 HydrophobicContact CB-CB 4.02Å; V373-V729 HydrophobicContact CB-CG2 3.79Å; V373-V729 HydrophobicContact CG1-CB 4.19Å; V373-V729 HydrophobicContact CG1-CG2 3.92Å; V373-V729 HydrophobicContact CG2-CB 4.23Å; A375-V729 HydrophobicContact CB-CG2 4.24Å; V672-V729 HydrophobicContact CB-CG1 4.45Å; V672-V729 HydrophobicContact CG1-CG1 3.87Å; V672-V729 HydrophobicContact CG1-CG2 4.37Å; V729-I917 WeakPolarHBondContact CA-O 3.16Å; V729-V918 HydrophobicContact CG2-CG1 4.4Å; V729-V918 HydrophobicContact CG2-CG2 4.28Å
730	Q	98.8	Very high	96.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	130.9	167.9	-170.6	-175.3	11.6	0	0	110	R362 A367 E369 L732 V916 I917	R362-Q730 PolarHBondContact O-NE2 3.45Å; A367-Q730 PolarHBondContact O-NE2 2.78Å; E369-Q730 HydrophobicContact CG-CB 4.24Å; E369-Q730 HydrophobicContact CG-CG 4.24Å; Q730-L732 HydrophobicContact CG-CD2 4.38Å; Q730-V916 WeakPolarHBondContact O-CA 2.8Å; Q730-I917 HydrophobicContact CB-CG2 3.66Å; Q730-I917 PolarHBondContact N-O 2.86Å; Q730-I917 WeakPolarHBondContact O-CG2 3.32Å; Q730-I917 PolarHBondContact O-N 2.65Å
731	V	98.9	Very high	96.4	Very high	1 Å²	1	20 Å²	20	1%	0.006	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	139.6	173.6	-176.2	0	0	0	0	109.4	S365 F366 A367 D679 V680 V914 V916	S365-V731 PolarHBondContact OG-O 3.07Å; F366-V731 HydrophobicContact CE1-CG1 4.01Å; F366-V731 HydrophobicContact CZ-CG1 4.08Å; A367-V731 HydrophobicContact CB-CB 4.01Å; D679-V731 HydrophobicContact CB-CB 4.09Å; D679-V731 HydrophobicContact CB-CG2 3.62Å; V680-V731 HydrophobicContact CG2-CG1 4.12Å; V680-V731 HydrophobicContact CG2-CG2 3.78Å; V731-V914 HydrophobicContact CG1-CG1 4.16Å; V731-V916 HydrophobicContact CG2-CG1 4.34Å
732	L	98.9	Very high	96.1	Very high	0 Å²	0	20 Å²	20	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	156.5	-179.8	-51.9	174.2	0	0	0	109.1	F363 Q730 I749 A752 V914 A915 I917	F363-L732 HydrophobicContact CB-CD2 4.46Å; F363-L732 HydrophobicContact CD2-CD2 3.78Å; Q730-L732 HydrophobicContact CG-CD2 4.38Å; L732-I749 HydrophobicContact CB-CG1 3.71Å; L732-A752 HydrophobicContact CD1-CB 3.42Å; L732-A752 VanDerWaalsContact CD1-CB 3.42Å; L732-V914 WeakPolarHBondContact O-CA 3.47Å; L732-A915 HydrophobicContact CB-CB 4.4Å; L732-A915 PolarHBondContact N-O 3.39Å; L732-A915 PolarHBondContact O-N 3.22Å; L732-A915 VanDerWaalsContact O-O 3.14Å; L732-I917 HydrophobicContact CD1-CB 4.04Å; L732-I917 HydrophobicContact CD1-CG2 3.93Å; L732-I917 HydrophobicContact CD2-CG2 4.34Å; L732-I917 HydrophobicContact CG-CG2 4.19Å
733	R	98.8	Very high	95.8	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.008	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	160.2	175.4	63.8	177.3	-175.4	-177.8	-2.9	114	F366 H683 E746 S748 E913 V914	F366-R733 HydrophobicContact CD1-CG 3.93Å; F366-R733 HydrophobicContact CE1-CG 4.09Å; H683-R733 WeakPolarHBondContact ND1-CD 3.24Å; R733-E746 HydrophobicContact CG-CG 4.24Å; R733-E746 VanDerWaalsContact CG-OE1 3.25Å; R733-E746 WeakPolarHBondContact CG-OE1 3.44Å; R733-E746 IonicContact CZ-OE2 2.95Å; R733-E746 VanDerWaalsContact CZ-OE2 3.26Å; R733-E746 IonicContact NE-OE1 2.83Å; R733-E746 IonicContact NE-OE2 2.77Å; R733-E746 PolarHBondContact NE-OE2 3.02Å; R733-E746 IonicContact NH2-OE2 2.95Å; R733-E746 PolarHBondContact NH2-OE2 2.75Å; R733-S748 PolarHBondContact N-OG 3.12Å; R733-S748 PolarHBondContact O-N 2.82Å; R733-S748 PolarHBondContact O-OG 3.03Å; R733-S748 VanDerWaalsContact O-OG 3.1Å; R733-E913 CarbonylContact C-O 3.53Å; R733-E913 WeakPolarHBondContact CA-O 3.46Å; R733-E913 WeakPolarHBondContact CB-O 3.34Å; R733-V914 HydrophobicContact CB-CG2 4.47Å
734	S	98.8	Very high	95.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	120.6	159.5	-68.8	0	0	0	0	107.8	E746 S905 S912 E913	S734-E746 WeakPolarHBondContact CA-O 3.36Å; S734-S905 VanDerWaalsContact CB-O 3.26Å; S734-S905 WeakPolarHBondContact CB-O 3.41Å; S734-S905 PolarHBondContact OG-O 2.86Å; S734-S912 VanDerWaalsContact O-CA 3.26Å; S734-S912 WeakPolarHBondContact O-CA 3.32Å; S734-E913 PolarHBondContact N-O 2.69Å; S734-E913 PolarHBondContact O-N 2.89Å; S734-E913 VanDerWaalsContact O-N 3.07Å
735	S	97.2	Very high	95.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	151.4	-175.9	-172.9	0	0	0	0	111.8	A740 Y745 E746 G908	S735-A740 WeakPolarHBondContact OG-CB 3.47Å; S735-Y745 CarbonylContact O-C 3.55Å; S735-Y745 WeakPolarHBondContact O-CA 3.24Å; S735-Y745 WeakPolarHBondContact O-CB 3.5Å; S735-E746 PolarHBondContact N-O 3.45Å; S735-E746 PolarHBondContact O-N 2.77Å; S735-G908 CarbonylContact C-O 3.49Å; S735-G908 PolarHBondContact N-O 2.79Å
736	A	94.8	Very high	95.6	Very high	8 Å²	8	24.3 Å²	24.3	7%	0.066	11%	0.109	C	C	.	.			trans	-146.4	-176.6	-179.5	0	0	0	0	0	112.3	W738 S739 A740 G741 G908	A736-W738 VanDerWaalsContact C-N 3.29Å; A736-W738 PolarHBondContact O-N 2.76Å; A736-S739 PolarHBondContact N-OG 2.91Å; A736-S739 PolarHBondContact O-N 2.97Å; A736-S739 PolarHBondContact O-OG 3.24Å; A736-A740 PolarHBondContact O-N 3.22Å; A736-G741 PolarHBondContact O-N 3.38Å; A736-G908 WeakPolarHBondContact CB-O 3.47Å
737	D	92.3	Very high	95.7	Very high	52 Å²	52	23 Å²	23	28%	0.278	10%	0.101	S	C	.	.	H	α-helix	trans	-56.5	-42.4	178.5	-170	40.4	0	0	0	111.9	P259 F690 S739 G741 I742	P259-D737 WeakPolarHBondContact CG-OD2 3.49Å; F690-D737 WeakPolarHBondContact CZ-O 3.37Å; D737-S739 VanDerWaalsContact C-N 3.31Å; D737-S739 PolarHBondContact O-N 2.89Å; D737-G741 WeakPolarHBondContact O-CA 3.42Å; D737-G741 PolarHBondContact O-N 3.06Å; D737-I742 WeakPolarHBondContact CA-O 3.49Å; D737-I742 WeakPolarHBondContact CB-O 3.35Å; D737-I742 PolarHBondContact N-O 3.45Å
738	W	91.4	Very high	95.8	Very high	27 Å²	27	23 Å²	23	10%	0.102	10%	0.101	C	C	.	.	H	α-helix	trans	-67.9	-30.3	-178.8	84.1	-97.7	0	0	0	113.4	H475 P476 V483 W486 A487 H488 F690 A736 K909 R910	H475-W738 AromaticContact CE1-CE3 3.84Å; H475-W738 AromaticContact CE1-CZ3 3.93Å; H475-W738 PolarHBondContact CE1-O 3.18Å; H475-W738 VanDerWaalsContact CE1-O 3.25Å; H475-W738 AromaticContact ND1-CZ3 3.99Å; P476-W738 HydrophobicContact CB-CZ3 4.22Å; P476-W738 HydrophobicContact CG-CZ3 4.09Å; V483-W738 HydrophobicContact CB-CE3 4.35Å; V483-W738 HydrophobicContact CG1-CD2 4Å; V483-W738 HydrophobicContact CG1-CE3 3.86Å; V483-W738 HydrophobicContact CG1-CH2 4.48Å; V483-W738 HydrophobicContact CG1-CZ3 4.12Å; V483-W738 HydrophobicContact CG2-CB 3.71Å; V483-W738 HydrophobicContact CG2-CD2 4Å; V483-W738 HydrophobicContact CG2-CE3 4.12Å; V483-W738 HydrophobicContact CG2-CG 3.83Å; W486-W738 HydrophobicContact CB-CH2 4.16Å; W486-W738 HydrophobicContact CB-CZ2 3.6Å; A487-W738 WeakPolarHBondContact O-CH2 3.41Å; H488-W738 AromaticContact CE1-CH2 3.8Å; H488-W738 AromaticContact CE1-CZ3 3.67Å; H488-W738 AromaticContact ND1-CH2 3.81Å; F690-W738 VanDerWaalsContact CE1-O 3.32Å; F690-W738 WeakPolarHBondContact CE1-O 3.47Å; A736-W738 VanDerWaalsContact C-N 3.29Å; A736-W738 PolarHBondContact O-N 2.76Å; W738-K909 PolarHBondContact NE1-O 2.97Å; W738-R910 WeakPolarHBondContact CZ2-O 3.22Å; W738-R910 PolarHBondContact NE1-O 2.96Å
739	S	93.6	Very high	95.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-99.1	-32.9	-171.8	50.4	0	0	0	0	114	A736 D737	A736-S739 PolarHBondContact N-OG 2.91Å; A736-S739 PolarHBondContact O-N 2.97Å; A736-S739 PolarHBondContact O-OG 3.24Å; D737-S739 VanDerWaalsContact C-N 3.31Å; D737-S739 PolarHBondContact O-N 2.89Å
740	A	94.2	Very high	95.8	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.008	10%	0.096	C	C	.	.	H	α-helix	trans	-136.5	3.1	-179.1	0	0	0	0	0	114.7	Q686 R687 S735 A736 I742	Q686-A740 HydrophobicContact CG-CB 4.49Å; R687-A740 HydrophobicContact CG-CB 4.01Å; S735-A740 WeakPolarHBondContact OG-CB 3.47Å; A736-A740 PolarHBondContact O-N 3.22Å; A740-I742 PolarHBondContact O-N 3.41Å
741	G	91.3	Very high	95.9	Very high	2 Å²	2	24.5 Å²	24.5	2%	0.021	11%	0.11	C	C	.	.			trans	68.3	29.8	178.8	0	0	0	0	0	114.3	S326 F690 A736 D737	S326-G741 VanDerWaalsContact CA-O 3.24Å; S326-G741 WeakPolarHBondContact CA-O 3.41Å; S326-G741 WeakPolarHBondContact CB-O 3.35Å; F690-G741 VanDerWaalsContact CE2-CA 3.44Å; A736-G741 PolarHBondContact O-N 3.38Å; D737-G741 WeakPolarHBondContact O-CA 3.42Å; D737-G741 PolarHBondContact O-N 3.06Å
742	I	92.5	Very high	95.9	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.01	11%	0.11	C	C	.	.			trans	-93.6	134.5	177.6	56.5	175.9	0	0	0	111.4	L325 Q686 D737 A740 Y744 E746	L325-I742 HydrophobicContact CB-CB 4.42Å; L325-I742 HydrophobicContact CB-CG2 4.29Å; Q686-I742 VanDerWaalsContact NE2-CG2 3.3Å; D737-I742 WeakPolarHBondContact CA-O 3.49Å; D737-I742 WeakPolarHBondContact CB-O 3.35Å; D737-I742 PolarHBondContact N-O 3.45Å; A740-I742 PolarHBondContact O-N 3.41Å; I742-Y744 VanDerWaalsContact C-N 3.32Å; I742-Y744 VanDerWaalsContact CD1-O 3.24Å; I742-Y744 WeakPolarHBondContact CD1-O 3.44Å; I742-Y744 VanDerWaalsContact CG1-O 3.3Å; I742-Y744 WeakPolarHBondContact CG1-O 3.38Å; I742-Y744 PolarHBondContact O-N 2.95Å; I742-E746 HydrophobicContact CD1-CB 4.29Å
743	K	89.6	Confident	95.8	Very high	86 Å²	86	24.5 Å²	24.5	37%	0.374	11%	0.11	S	C	.	.	S	Bend	trans	-53	-46.6	-179.7	175.1	174.8	-163.5	-160.9	0	113.7	R257 L325	R257-K743 VanDerWaalsContact CZ-CB 3.49Å; R257-K743 VanDerWaalsContact NH1-CB 3.27Å; L325-K743 HydrophobicContact CD2-CB 4.33Å; L325-K743 VanDerWaalsContact O-CB 3.31Å; L325-K743 WeakPolarHBondContact O-CB 3.48Å; L325-K743 PolarHBondContact O-N 3.17Å
744	Y	92.8	Very high	95.9	Very high	115 Å²	115	26.5 Å²	26.5	45%	0.451	12%	0.12	S	C	.	.	S	Bend	trans	-111.9	134.5	179.2	-55.8	-65.1	0	0	0	106.8	L325 I742	L325-Y744 HydrophobicContact CD2-CD2 3.85Å; I742-Y744 VanDerWaalsContact C-N 3.32Å; I742-Y744 VanDerWaalsContact CD1-O 3.24Å; I742-Y744 WeakPolarHBondContact CD1-O 3.44Å; I742-Y744 VanDerWaalsContact CG1-O 3.3Å; I742-Y744 WeakPolarHBondContact CG1-O 3.38Å; I742-Y744 PolarHBondContact O-N 2.95Å
745	Y	95.6	Very high	95.8	Very high	93 Å²	93	29.8 Å²	29.8	37%	0.365	14%	0.136	S	C	.	.			trans	-66.4	155.7	173.8	73.4	-78.4	0	0	0	109.9	S735 E747 L907 K909	S735-Y745 CarbonylContact O-C 3.55Å; S735-Y745 WeakPolarHBondContact O-CA 3.24Å; S735-Y745 WeakPolarHBondContact O-CB 3.5Å; Y745-E747 HydrophobicContact CD2-CB 4.43Å; Y745-E747 HydrophobicContact CE2-CB 4.17Å; Y745-E747 HydrophobicContact CE2-CG 3.88Å; Y745-E747 WeakPolarHBondContact CE2-OE1 3.47Å; Y745-E747 VanDerWaalsContact CZ-OE1 3.31Å; Y745-E747 PolarHBondContact OH-OE1 3.15Å; Y745-L907 WeakPolarHBondContact CD2-O 3.49Å; Y745-L907 WeakPolarHBondContact CE2-O 3.4Å; Y745-K909 HydrophobicContact CD1-CD 4.18Å; Y745-K909 HydrophobicContact CD1-CG 3.96Å; Y745-K909 HydrophobicContact CD2-CD 4.44Å; Y745-K909 HydrophobicContact CD2-CG 3.74Å; Y745-K909 HydrophobicContact CE1-CD 4.34Å; Y745-K909 HydrophobicContact CE2-CG 4.27Å; Y745-K909 HydrophobicContact CG-CD 4.25Å; Y745-K909 HydrophobicContact CG-CG 3.56Å
746	E	98.3	Very high	95.9	Very high	17 Å²	17	30.4 Å²	30.4	8%	0.079	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	131.6	176.5	-171.2	177.3	148	0	0	108.7	S365 F366 R733 S734 S735 I742 S748 G908	S365-E746 WeakPolarHBondContact CA-OE1 3.38Å; F366-E746 PolarHBondContact N-OE1 3.27Å; R733-E746 HydrophobicContact CG-CG 4.24Å; R733-E746 VanDerWaalsContact CG-OE1 3.25Å; R733-E746 WeakPolarHBondContact CG-OE1 3.44Å; R733-E746 IonicContact CZ-OE2 2.95Å; R733-E746 VanDerWaalsContact CZ-OE2 3.26Å; R733-E746 IonicContact NE-OE1 2.83Å; R733-E746 IonicContact NE-OE2 2.77Å; R733-E746 PolarHBondContact NE-OE2 3.02Å; R733-E746 IonicContact NH2-OE2 2.95Å; R733-E746 PolarHBondContact NH2-OE2 2.75Å; S734-E746 WeakPolarHBondContact CA-O 3.36Å; S735-E746 PolarHBondContact N-O 3.45Å; S735-E746 PolarHBondContact O-N 2.77Å; I742-E746 HydrophobicContact CD1-CB 4.29Å; E746-S748 PolarHBondContact OE1-OG 3.25Å; E746-G908 VanDerWaalsContact O-CA 3.22Å; E746-G908 WeakPolarHBondContact O-CA 3.39Å
747	E	98.4	Very high	96.1	Very high	41 Å²	41	30 Å²	30	19%	0.192	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	39.1	178	60.2	-180	131.4	0	0	110.4	Y745 I749 H750 N751	Y745-E747 HydrophobicContact CD2-CB 4.43Å; Y745-E747 HydrophobicContact CE2-CB 4.17Å; Y745-E747 HydrophobicContact CE2-CG 3.88Å; Y745-E747 WeakPolarHBondContact CE2-OE1 3.47Å; Y745-E747 VanDerWaalsContact CZ-OE1 3.31Å; Y745-E747 PolarHBondContact OH-OE1 3.15Å; E747-I749 PolarHBondContact O-N 3.07Å; E747-H750 HydrophobicContact CB-CB 4.4Å; E747-H750 PolarHBondContact O-N 3.48Å; E747-H750 IonicContact OE2-CE1 2.88Å; E747-H750 IonicContact OE2-ND1 3.77Å; E747-H750 PolarHBondContact OE2-ND1 2.89Å; E747-N751 PolarHBondContact O-N 2.92Å
748	S	98.9	Very high	96.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-66	-25	-172	54.7	0	0	0	0	113.1	F363 R733 E746 A752	F363-S748 WeakPolarHBondContact O-CA 3.31Å; R733-S748 PolarHBondContact N-OG 3.12Å; R733-S748 PolarHBondContact O-N 2.82Å; R733-S748 PolarHBondContact O-OG 3.03Å; R733-S748 VanDerWaalsContact O-OG 3.1Å; E746-S748 PolarHBondContact OE1-OG 3.25Å; S748-A752 WeakPolarHBondContact O-CB 3.23Å; S748-A752 PolarHBondContact O-N 3.47Å
749	I	98.9	Very high	96.8	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64	-51.8	171.9	-58.5	177.8	0	0	0	110.9	L732 E747 N751 A752 Y753 A899 M906 E913 A915	L732-I749 HydrophobicContact CB-CG1 3.71Å; E747-I749 PolarHBondContact O-N 3.07Å; I749-N751 VanDerWaalsContact C-N 3.33Å; I749-N751 PolarHBondContact O-N 3.39Å; I749-A752 PolarHBondContact O-N 3Å; I749-A752 VanDerWaalsContact O-N 3.13Å; I749-Y753 HydrophobicContact CG2-CD2 3.92Å; I749-Y753 HydrophobicContact CG2-CE2 4Å; I749-Y753 WeakPolarHBondContact O-CD2 3.49Å; I749-Y753 PolarHBondContact O-N 3.22Å; I749-A899 HydrophobicContact CD1-CB 3.82Å; I749-A899 HydrophobicContact CG2-CB 3.76Å; I749-M906 HydrophobicContact CG2-CE 4.28Å; I749-M906 HydrophobicContact CG2-SD 3.98Å; I749-E913 HydrophobicContact CD1-CB 3.75Å; I749-A915 HydrophobicContact CD1-CB 3.88Å; I749-A915 HydrophobicContact CG1-CB 3.97Å; I749-A915 HydrophobicContact CG2-CB 4.39Å
750	H	98.9	Very high	97	Very high	12 Å²	12	35.1 Å²	35.1	6%	0.056	17%	0.165	C	C	.	.	H	α-helix	trans	-59	-45.4	-179.8	177.3	-150.2	0	0	0	111.5	E747 A752 Y753 I754 K783 M906	E747-H750 HydrophobicContact CB-CB 4.4Å; E747-H750 PolarHBondContact O-N 3.48Å; E747-H750 IonicContact OE2-CE1 2.88Å; E747-H750 IonicContact OE2-ND1 3.77Å; E747-H750 PolarHBondContact OE2-ND1 2.89Å; H750-A752 VanDerWaalsContact C-N 3.32Å; H750-A752 PolarHBondContact O-N 3.2Å; H750-Y753 PolarHBondContact O-N 2.91Å; H750-I754 VanDerWaalsContact NE2-CD1 3.34Å; H750-I754 WeakPolarHBondContact NE2-CD1 3.29Å; H750-I754 WeakPolarHBondContact O-CG1 3.36Å; H750-I754 PolarHBondContact O-N 2.99Å; H750-I754 VanDerWaalsContact O-N 3.08Å; H750-K783 PolarHBondContact NE2-N 3.46Å; H750-K783 VanDerWaalsContact NE2-N 3.14Å; H750-M906 HydrophobicContact CB-CB 3.99Å; H750-M906 VanDerWaalsContact CB-O 3.24Å; H750-M906 WeakPolarHBondContact CB-O 3.5Å; H750-M906 HydrophobicContact CB-SD 4.1Å
751	N	98.9	Very high	97.2	Very high	55 Å²	55	42 Å²	42	29%	0.294	19%	0.194	S	C	.	.	H	α-helix	trans	-60.6	-39.8	176	-70.4	-25.4	0	0	0	112.6	F363 E747 I749 Q755	F363-N751 HydrophobicContact CB-CB 3.93Å; F363-N751 PolarHBondContact O-ND2 3.36Å; E747-N751 PolarHBondContact O-N 2.92Å; I749-N751 VanDerWaalsContact C-N 3.33Å; I749-N751 PolarHBondContact O-N 3.39Å; N751-Q755 WeakPolarHBondContact O-CB 3.22Å; N751-Q755 WeakPolarHBondContact O-CG 3.36Å; N751-Q755 PolarHBondContact O-N 2.97Å; N751-Q755 VanDerWaalsContact O-N 3.09Å
752	A	98.9	Very high	97.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-66.7	-46.3	177	0	0	0	0	0	111.8	F363 L732 S748 I749 H750 I754 Q755 V756 I895	F363-A752 HydrophobicContact CB-CB 4.44Å; F363-A752 HydrophobicContact CD1-CB 4.05Å; F363-A752 HydrophobicContact CD2-CB 3.84Å; F363-A752 HydrophobicContact CE1-CB 4.23Å; F363-A752 HydrophobicContact CE2-CB 4Å; F363-A752 HydrophobicContact CG-CB 3.84Å; F363-A752 HydrophobicContact CZ-CB 4.2Å; L732-A752 HydrophobicContact CD1-CB 3.42Å; L732-A752 VanDerWaalsContact CD1-CB 3.42Å; S748-A752 WeakPolarHBondContact O-CB 3.23Å; S748-A752 PolarHBondContact O-N 3.47Å; I749-A752 PolarHBondContact O-N 3Å; I749-A752 VanDerWaalsContact O-N 3.13Å; H750-A752 VanDerWaalsContact C-N 3.32Å; H750-A752 PolarHBondContact O-N 3.2Å; A752-I754 PolarHBondContact O-N 3.38Å; A752-Q755 PolarHBondContact O-N 3.09Å; A752-V756 WeakPolarHBondContact O-CB 3.44Å; A752-V756 VanDerWaalsContact O-CG2 3.32Å; A752-V756 WeakPolarHBondContact O-CG2 3.27Å; A752-V756 PolarHBondContact O-N 2.88Å; A752-I895 HydrophobicContact CB-CD1 4.03Å
753	Y	98.9	Very high	97.9	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.008	20%	0.203	C	C	.	.	H	α-helix	trans	-54.7	-52	176.2	-96.6	-100.6	0	0	0	111.8	I749 H750 Q755 V756 I757 I784 L887 I895 I901 M906	I749-Y753 HydrophobicContact CG2-CD2 3.92Å; I749-Y753 HydrophobicContact CG2-CE2 4Å; I749-Y753 WeakPolarHBondContact O-CD2 3.49Å; I749-Y753 PolarHBondContact O-N 3.22Å; H750-Y753 PolarHBondContact O-N 2.91Å; Y753-Q755 PolarHBondContact O-N 3.16Å; Y753-V756 PolarHBondContact O-N 2.84Å; Y753-I757 WeakPolarHBondContact O-CD1 3.25Å; Y753-I757 VanDerWaalsContact O-CG1 3.27Å; Y753-I757 WeakPolarHBondContact O-CG1 3.34Å; Y753-I757 PolarHBondContact O-N 3.42Å; Y753-I784 HydrophobicContact CD1-CD1 4Å; Y753-I784 HydrophobicContact CD1-CG2 4.47Å; Y753-I784 HydrophobicContact CG-CD1 4.03Å; Y753-L887 HydrophobicContact CD1-CB 4.37Å; Y753-L887 HydrophobicContact CD1-CD1 3.64Å; Y753-L887 HydrophobicContact CE1-CB 3.7Å; Y753-L887 HydrophobicContact CE1-CD1 3.75Å; Y753-L887 HydrophobicContact CE1-CG 4.38Å; Y753-I895 HydrophobicContact CD2-CD1 3.84Å; Y753-I895 HydrophobicContact CD2-CG2 4.26Å; Y753-I895 HydrophobicContact CE2-CB 4.18Å; Y753-I895 HydrophobicContact CE2-CD1 4.11Å; Y753-I895 HydrophobicContact CE2-CG2 3.63Å; Y753-I895 HydrophobicContact CG-CD1 4.29Å; Y753-I901 HydrophobicContact CE1-CD1 4.21Å; Y753-I901 HydrophobicContact CE1-CG1 4.28Å; Y753-M906 HydrophobicContact CD2-CE 4.08Å; Y753-M906 HydrophobicContact CE2-CE 4.08Å; Y753-M906 HydrophobicContact CG-CE 4.34Å
754	I	98.9	Very high	98.3	Very high	44 Å²	44	40 Å²	40	23%	0.226	19%	0.186	C	C	.	.	H	α-helix	trans	-58.6	-48.1	179	-69.1	170.9	0	0	0	110.7	H750 A752 I757 A758 K783 A787	H750-I754 VanDerWaalsContact NE2-CD1 3.34Å; H750-I754 WeakPolarHBondContact NE2-CD1 3.29Å; H750-I754 WeakPolarHBondContact O-CG1 3.36Å; H750-I754 PolarHBondContact O-N 2.99Å; H750-I754 VanDerWaalsContact O-N 3.08Å; A752-I754 PolarHBondContact O-N 3.38Å; I754-I757 PolarHBondContact O-N 3.01Å; I754-A758 VanDerWaalsContact O-CB 3.26Å; I754-A758 WeakPolarHBondContact O-CB 3.2Å; I754-A758 PolarHBondContact O-N 3.18Å; I754-K783 HydrophobicContact CD1-CB 3.94Å; I754-A787 HydrophobicContact CG2-CB 4.31Å
755	Q	98.8	Very high	98.6	Very high	69 Å²	69	34.6 Å²	34.6	32%	0.322	16%	0.164	S	C	.	.	H	α-helix	trans	-67.4	-38.7	-176.4	-75.7	-167.6	31.1	0	0	113	F363 N751 A752 Y753 A758 K759	F363-Q755 HydrophobicContact CD1-CB 4.29Å; F363-Q755 HydrophobicContact CD1-CG 4.29Å; F363-Q755 HydrophobicContact CE1-CB 3.78Å; F363-Q755 HydrophobicContact CE1-CG 4.19Å; F363-Q755 VanDerWaalsContact CE1-OE1 3.24Å; N751-Q755 WeakPolarHBondContact O-CB 3.22Å; N751-Q755 WeakPolarHBondContact O-CG 3.36Å; N751-Q755 PolarHBondContact O-N 2.97Å; N751-Q755 VanDerWaalsContact O-N 3.09Å; A752-Q755 PolarHBondContact O-N 3.09Å; Y753-Q755 PolarHBondContact O-N 3.16Å; Q755-A758 PolarHBondContact O-N 3.09Å; Q755-K759 VanDerWaalsContact O-CB 3.27Å; Q755-K759 WeakPolarHBondContact O-CB 3.19Å; Q755-K759 VanDerWaalsContact O-CG 3.26Å; Q755-K759 WeakPolarHBondContact O-CG 3.26Å; Q755-K759 PolarHBondContact O-N 3.43Å
756	V	98.9	Very high	98.8	Very high	13 Å²	13	30.1 Å²	30.1	8%	0.079	15%	0.147	C	C	.	.	H	α-helix	trans	-65.2	-45.6	177.2	172.9	0	0	0	0	110.3	A752 Y753 A758 K759 S760 L887 A889 T893 I895 I917	A752-V756 WeakPolarHBondContact O-CB 3.44Å; A752-V756 VanDerWaalsContact O-CG2 3.32Å; A752-V756 WeakPolarHBondContact O-CG2 3.27Å; A752-V756 PolarHBondContact O-N 2.88Å; Y753-V756 PolarHBondContact O-N 2.84Å; V756-A758 PolarHBondContact O-N 2.95Å; V756-K759 PolarHBondContact O-N 3.42Å; V756-S760 PolarHBondContact O-N 2.94Å; V756-L887 HydrophobicContact CB-CD2 4.28Å; V756-L887 HydrophobicContact CG1-CD2 3.45Å; V756-L887 VanDerWaalsContact CG1-CD2 3.45Å; V756-A889 HydrophobicContact CG1-CB 3.51Å; V756-T893 HydrophobicContact CG1-CG2 4.07Å; V756-T893 HydrophobicContact CG2-CG2 3.89Å; V756-I895 HydrophobicContact CG2-CD1 4.09Å; V756-I917 HydrophobicContact CG2-CD1 3.86Å
757	I	98.9	Very high	98.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.3	-45	176.4	-66	163.5	0	0	0	111.1	Y753 I754 K759 S760 V764 I784 A787 I788 R791 L887	Y753-I757 WeakPolarHBondContact O-CD1 3.25Å; Y753-I757 VanDerWaalsContact O-CG1 3.27Å; Y753-I757 WeakPolarHBondContact O-CG1 3.34Å; Y753-I757 PolarHBondContact O-N 3.42Å; I754-I757 PolarHBondContact O-N 3.01Å; I757-K759 VanDerWaalsContact C-N 3.27Å; I757-K759 PolarHBondContact O-N 3.3Å; I757-S760 PolarHBondContact O-N 3.17Å; I757-S760 PolarHBondContact O-OG 2.83Å; I757-V764 HydrophobicContact CG1-CG2 4.49Å; I757-I784 HydrophobicContact CD1-CG2 3.82Å; I757-A787 HydrophobicContact CB-CB 4.31Å; I757-A787 HydrophobicContact CG2-CB 3.96Å; I757-I788 HydrophobicContact CD1-CG1 4.06Å; I757-I788 HydrophobicContact CG2-CG1 4.06Å; I757-R791 HydrophobicContact CG2-CB 4.16Å; I757-R791 WeakPolarHBondContact O-CD 3.33Å; I757-R791 WeakPolarHBondContact O-CG 3.31Å; I757-L887 HydrophobicContact CD1-CD1 3.94Å; I757-L887 HydrophobicContact CG1-CD1 3.77Å
758	A	98.7	Very high	98.8	Very high	40 Å²	40	27.4 Å²	27.4	33%	0.331	13%	0.134	S	C	.	.	H	α-helix	trans	-65.2	-30.9	-179.8	0	0	0	0	0	112.9	I754 Q755 V756 R794	I754-A758 VanDerWaalsContact O-CB 3.26Å; I754-A758 WeakPolarHBondContact O-CB 3.2Å; I754-A758 PolarHBondContact O-N 3.18Å; Q755-A758 PolarHBondContact O-N 3.09Å; V756-A758 PolarHBondContact O-N 2.95Å; A758-R794 PolarHBondContact O-NH1 3.36Å; A758-R794 VanDerWaalsContact O-NH1 3.11Å; A758-R794 PolarHBondContact O-NH2 3.43Å
759	K	98.6	Very high	98.8	Very high	144 Å²	144	28.4 Å²	28.4	63%	0.626	14%	0.139	S	C	*	.	H	α-helix	trans	-93	-13.2	-178	-70.9	174.5	-179.9	170.1	0	114.3	Q755 V756 I757	Q755-K759 VanDerWaalsContact O-CB 3.27Å; Q755-K759 WeakPolarHBondContact O-CB 3.19Å; Q755-K759 VanDerWaalsContact O-CG 3.26Å; Q755-K759 WeakPolarHBondContact O-CG 3.26Å; Q755-K759 PolarHBondContact O-N 3.43Å; V756-K759 PolarHBondContact O-N 3.42Å; I757-K759 VanDerWaalsContact C-N 3.27Å; I757-K759 PolarHBondContact O-N 3.3Å
760	S	98.8	Very high	98.8	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.014	14%	0.143	C	C	.	.			trans	-58.1	153.1	179.1	70	0	0	0	0	111.8	V756 I757 R791 Y802 D890	V756-S760 PolarHBondContact O-N 2.94Å; I757-S760 PolarHBondContact O-N 3.17Å; I757-S760 PolarHBondContact O-OG 2.83Å; S760-R791 PolarHBondContact O-NE 3.43Å; S760-R791 PolarHBondContact O-NH2 2.67Å; S760-R791 PolarHBondContact OG-NE 2.88Å; S760-Y802 VanDerWaalsContact OG-CE2 3.25Å; S760-Y802 WeakPolarHBondContact OG-CE2 3.23Å; S760-Y802 VanDerWaalsContact OG-CZ 3.31Å; S760-Y802 PolarHBondContact OG-OH 2.93Å; S760-D890 VanDerWaalsContact CA-OD2 3.28Å; S760-D890 WeakPolarHBondContact CA-OD2 3.31Å
761	K	98.6	Very high	98.7	Very high	144 Å²	144	28.9 Å²	28.9	63%	0.626	14%	0.141	S	C	*	.	S	Bend	trans	-117.6	-38	-173.3	-67	-177.4	-178	176	0	112.7	R791 D890	K761-R791 PolarHBondContact O-NH2 3.05Å; K761-D890 PolarHBondContact N-OD1 2.97Å; K761-D890 PolarHBondContact N-OD2 2.64Å
762	H	98.8	Very high	98.7	Very high	50 Å²	50	26.3 Å²	26.3	23%	0.231	13%	0.127	C	C	.	.	S	Bend	trans	-121.1	-50.9	-168.4	-55.4	-73.3	0	0	0	112.4	Y802 R803 D890 M928 Y933 V965	H762-Y802 VanDerWaalsContact O-CA 3.22Å; H762-Y802 WeakPolarHBondContact O-CA 3.23Å; H762-Y802 WeakPolarHBondContact O-CD2 3.49Å; H762-R803 PolarHBondContact O-N 2.85Å; H762-D890 WeakPolarHBondContact CA-OD1 3.34Å; H762-D890 WeakPolarHBondContact CB-OD1 3.35Å; H762-D890 IonicContact CD2-OD1 3.44Å; H762-D890 PolarHBondContact N-OD1 3.22Å; H762-M928 HydrophobicContact CB-CE 4.41Å; H762-M928 HydrophobicContact CB-CG 3.82Å; H762-M928 HydrophobicContact CB-SD 3.57Å; H762-M928 VanDerWaalsContact CB-SD 3.57Å; H762-M928 VanDerWaalsContact CG-CG 3.48Å; H762-M928 WeakPolarHBondContact ND1-CG 3.46Å; H762-Y933 AromaticContact CD2-CE2 3.88Å; H762-Y933 AromaticContact NE2-CE2 3.6Å; H762-V965 HydrophobicContact CB-CG1 4.22Å; H762-V965 WeakPolarHBondContact O-CG1 3.45Å
763	Y	98.9	Very high	98.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	162.9	177	77.3	-77.2	0	0	0	113.7	R803 Y805 A889 D890 D891 M928 R943 P964 V965	Y763-R803 CarbonylContact C-O 3.57Å; Y763-R803 WeakPolarHBondContact CA-O 3.5Å; Y763-R803 VanDerWaalsContact CB-O 3.24Å; Y763-R803 WeakPolarHBondContact CB-O 3.3Å; Y763-Y805 HydrophobicContact CD2-CD2 4.21Å; Y763-Y805 HydrophobicContact CD2-CE2 4.27Å; Y763-A889 WeakPolarHBondContact O-CA 3.39Å; Y763-D890 PolarHBondContact N-OD1 2.93Å; Y763-D890 PolarHBondContact O-N 3.44Å; Y763-D891 WeakPolarHBondContact OH-CA 3.18Å; Y763-D891 PolarHBondContact OH-N 2.97Å; Y763-D891 PolarHBondContact OH-OD1 3.22Å; Y763-M928 HydrophobicContact CD1-CE 4.33Å; Y763-M928 HydrophobicContact CD1-SD 4.19Å; Y763-M928 HydrophobicContact CE1-CE 4.03Å; Y763-M928 HydrophobicContact CE1-SD 4.44Å; Y763-R943 HydrophobicContact CE2-CG 4.41Å; Y763-P964 HydrophobicContact CD1-CB 4.24Å; Y763-P964 HydrophobicContact CD1-CG 3.75Å; Y763-P964 HydrophobicContact CE1-CB 4.14Å; Y763-P964 HydrophobicContact CE1-CG 3.51Å; Y763-P964 HydrophobicContact CG-CG 4.49Å; Y763-V965 HydrophobicContact CD1-CG1 4Å; Y763-V965 HydrophobicContact CG-CG1 4.16Å
764	V	98.9	Very high	98.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	128.9	167	166.6	0	0	0	0	109	I757 I766 Y802 R803 V804 Y805 L887 I888 A889	I757-V764 HydrophobicContact CG1-CG2 4.49Å; V764-I766 HydrophobicContact CG1-CD1 3.72Å; V764-I766 HydrophobicContact CG1-CG1 3.67Å; V764-Y802 WeakPolarHBondContact CG2-OH 3.16Å; V764-R803 PolarHBondContact N-O 3.19Å; V764-V804 WeakPolarHBondContact O-CA 3.37Å; V764-Y805 PolarHBondContact O-N 2.78Å; V764-L887 HydrophobicContact CG1-CD1 3.94Å; V764-L887 HydrophobicContact CG1-CG 4.04Å; V764-I888 CarbonylContact C-O 3.51Å; V764-I888 WeakPolarHBondContact CA-O 3.4Å; V764-A889 HydrophobicContact CG2-CB 4.23Å
765	Y	98.9	Very high	98.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	121.4	173.3	176.7	-107.9	0	0	0	109.2	E767 Y805 V807 M886 L887 I888 C946 F947 I950 W974	Y765-E767 HydrophobicContact CE1-CG 3.63Å; Y765-E767 VanDerWaalsContact CE1-OE1 3.29Å; Y765-E767 WeakPolarHBondContact CE1-OE1 3.09Å; Y765-E767 VanDerWaalsContact CZ-OE1 3.26Å; Y765-E767 WeakPolarHBondContact OH-CG 3.37Å; Y765-E767 PolarHBondContact OH-OE1 3.46Å; Y765-Y805 HydrophobicContact CD2-CD2 4.41Å; Y765-Y805 HydrophobicContact CD2-CG 4.23Å; Y765-V807 HydrophobicContact CE2-CG2 3.97Å; Y765-M886 HydrophobicContact CD1-CE 3.51Å; Y765-M886 HydrophobicContact CD1-SD 4.47Å; Y765-M886 HydrophobicContact CE1-CE 3.67Å; Y765-M886 HydrophobicContact CE1-SD 4.5Å; Y765-L887 CarbonylContact O-C 3.58Å; Y765-L887 WeakPolarHBondContact O-CA 3.33Å; Y765-I888 HydrophobicContact CD1-CD1 3.94Å; Y765-I888 HydrophobicContact CD1-CG1 4.28Å; Y765-I888 PolarHBondContact N-O 3.29Å; Y765-I888 PolarHBondContact O-N 3.44Å; Y765-C946 HydrophobicContact CE1-CB 3.87Å; Y765-F947 AromaticContact CD2-CE1 3.65Å; Y765-F947 HydrophobicContact CD2-CE1 3.65Å; Y765-F947 HydrophobicContact CD2-CZ 4.32Å; Y765-F947 HydrophobicContact CE2-CD1 4.35Å; Y765-F947 AromaticContact CE2-CE1 3.66Å; Y765-F947 HydrophobicContact CE2-CE1 3.66Å; Y765-F947 HydrophobicContact CG-CE1 4.23Å; Y765-I950 HydrophobicContact CE2-CD1 4.38Å; Y765-I950 WeakPolarHBondContact OH-CD1 2.98Å; Y765-W974 HydrophobicContact CE2-CH2 4Å; Y765-W974 HydrophobicContact CE2-CZ3 4.31Å
766	I	98.9	Very high	98.3	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	125.7	-176.6	-67.2	165.4	0	0	0	108.6	V764 N768 I788 Y805 V807 L887 I901	V764-I766 HydrophobicContact CG1-CD1 3.72Å; V764-I766 HydrophobicContact CG1-CG1 3.67Å; I766-N768 HydrophobicContact CG2-CB 4.06Å; I766-I788 HydrophobicContact CD1-CD1 3.95Å; I766-Y805 PolarHBondContact N-O 2.8Å; I766-V807 PolarHBondContact O-N 3.36Å; I766-L887 HydrophobicContact CD1-CD1 4.27Å; I766-L887 HydrophobicContact CG1-CB 4.47Å; I766-L887 HydrophobicContact CG1-CD1 4.05Å; I766-L887 HydrophobicContact CG1-CG 4.2Å; I766-I901 HydrophobicContact CD1-CD1 4.49Å; I766-I901 HydrophobicContact CG2-CD1 3.69Å
767	E	98.9	Very high	97.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	119.4	161.2	-61	-177.4	-170.1	0	0	108.2	H666 Y765 V807 V882 S884 M886 C946	H666-E767 IonicContact CD2-OE2 3.72Å; H666-E767 PolarHBondContact CD2-OE2 3.4Å; H666-E767 IonicContact NE2-OE1 3.69Å; H666-E767 IonicContact NE2-OE2 2.85Å; H666-E767 PolarHBondContact NE2-OE2 3.14Å; H666-E767 VanDerWaalsContact NE2-OE2 3.1Å; Y765-E767 HydrophobicContact CE1-CG 3.63Å; Y765-E767 VanDerWaalsContact CE1-OE1 3.29Å; Y765-E767 WeakPolarHBondContact CE1-OE1 3.09Å; Y765-E767 VanDerWaalsContact CZ-OE1 3.26Å; Y765-E767 WeakPolarHBondContact OH-CG 3.37Å; Y765-E767 PolarHBondContact OH-OE1 3.46Å; E767-V807 WeakPolarHBondContact CA-O 3.44Å; E767-V807 HydrophobicContact CG-CB 4.17Å; E767-V882 HydrophobicContact CB-CG1 4.37Å; E767-S884 VanDerWaalsContact CB-CB 3.47Å; E767-S884 CarbonylContact O-C 3.34Å; E767-S884 WeakPolarHBondContact OE2-CB 3.45Å; E767-S884 PolarHBondContact OE2-OG 2.83Å; E767-M886 HydrophobicContact CB-CE 3.98Å; E767-M886 HydrophobicContact CG-CE 3.86Å; E767-M886 PolarHBondContact N-O 3.28Å; E767-M886 VanDerWaalsContact N-O 3.13Å; E767-M886 PolarHBondContact O-N 3.12Å; E767-C946 PolarHBondContact OE1-SG 2.7Å
768	N	98.8	Very high	97.5	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	137.7	-179.3	-146.2	-78.4	0	0	0	113.6	I766 F770 V807 T808 P809 S884 N900 I901	I766-N768 HydrophobicContact CG2-CB 4.06Å; N768-F770 VanDerWaalsContact C-N 3.27Å; N768-F770 WeakPolarHBondContact CB-O 3.36Å; N768-F770 PolarHBondContact O-N 2.88Å; N768-F770 PolarHBondContact OD1-N 3.34Å; N768-F770 PolarHBondContact OD1-O 2.92Å; N768-V807 PolarHBondContact N-O 3.08Å; N768-T808 WeakPolarHBondContact O-CA 3.37Å; N768-T808 WeakPolarHBondContact O-CB 3.21Å; N768-T808 PolarHBondContact O-OG1 3.49Å; N768-P809 WeakPolarHBondContact O-CD 3.46Å; N768-S884 CarbonylContact C-O 3.58Å; N768-S884 WeakPolarHBondContact CA-O 3.45Å; N768-N900 VanDerWaalsContact OD1-CA 3.27Å; N768-N900 WeakPolarHBondContact OD1-CA 3.43Å; N768-I901 HydrophobicContact CB-CD1 4.1Å; N768-I901 HydrophobicContact CB-CG1 4.36Å; N768-I901 PolarHBondContact OD1-N 3Å
769	Q	98.3	Very high	97.2	Very high	21 Å²	21	36.9 Å²	36.9	10%	0.098	17%	0.168	C	C	.	.	S	Bend	trans	-59.8	-35.3	175.3	-173.6	-170.8	15.4	0	0	113.1	P809 Y881 V882 H883 S884 N900	Q769-P809 VanDerWaalsContact O-CD 3.26Å; Q769-P809 WeakPolarHBondContact O-CD 3.45Å; Q769-P809 VanDerWaalsContact O-CG 3.28Å; Q769-P809 WeakPolarHBondContact O-CG 3.3Å; Q769-Y881 HydrophobicContact CG-CE1 4.49Å; Q769-Y881 WeakPolarHBondContact CG-OH 3.45Å; Q769-Y881 PolarHBondContact NE2-OH 2.96Å; Q769-V882 WeakPolarHBondContact CA-O 3.48Å; Q769-H883 PolarHBondContact NE2-CD2 3.36Å; Q769-H883 VanDerWaalsContact NE2-CD2 3.34Å; Q769-H883 PolarHBondContact OE1-NE2 3.1Å; Q769-S884 PolarHBondContact N-O 3.07Å; Q769-S884 VanDerWaalsContact N-O 3.13Å; Q769-N900 WeakPolarHBondContact CB-OD1 3.27Å; Q769-N900 PolarHBondContact OE1-ND2 3.17Å; Q769-N900 PolarHBondContact OE1-OD1 2.66Å
770	F	97.9	Very high	97.1	Very high	22 Å²	22	30 Å²	30	10%	0.096	14%	0.138	C	C	.	.			trans	-127.3	151.4	176.5	-62.7	-89.2	0	0	0	110.1	N768 I772 F814 V829 N900 I901 N902	N768-F770 VanDerWaalsContact C-N 3.27Å; N768-F770 WeakPolarHBondContact CB-O 3.36Å; N768-F770 PolarHBondContact O-N 2.88Å; N768-F770 PolarHBondContact OD1-N 3.34Å; N768-F770 PolarHBondContact OD1-O 2.92Å; F770-I772 HydrophobicContact CD1-CD1 4.24Å; F770-F814 HydrophobicContact CZ-CE2 4.49Å; F770-V829 HydrophobicContact CD1-CG1 3.6Å; F770-V829 HydrophobicContact CE1-CB 4.47Å; F770-V829 HydrophobicContact CE1-CG1 3.5Å; F770-V829 VanDerWaalsContact CE1-CG1 3.5Å; F770-V829 HydrophobicContact CE1-CG2 4.11Å; F770-N900 HydrophobicContact CB-CB 4.26Å; F770-N900 HydrophobicContact CD2-CB 3.83Å; F770-I901 CarbonylContact C-O 3.59Å; F770-I901 WeakPolarHBondContact O-CB 3.22Å; F770-N902 HydrophobicContact CB-CB 4.42Å
771	F	98.5	Very high	97.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-137.2	64.7	176.5	-159.9	-105.9	0	0	0	110	I788 V806 N833 T836 M837 I844 F862 I901	F771-I788 HydrophobicContact CE2-CD1 4.3Å; F771-I788 HydrophobicContact CZ-CD1 3.88Å; F771-V806 HydrophobicContact CD1-CG1 4.38Å; F771-V806 HydrophobicContact CD2-CG1 3.86Å; F771-V806 HydrophobicContact CE1-CG1 4.4Å; F771-V806 HydrophobicContact CE2-CG1 3.88Å; F771-V806 HydrophobicContact CE2-CG2 4.25Å; F771-V806 HydrophobicContact CG-CG1 4.11Å; F771-V806 HydrophobicContact CZ-CG1 4.15Å; F771-V806 HydrophobicContact CZ-CG2 4.04Å; F771-N833 PolarHBondContact N-OD1 2.82Å; F771-N833 PolarHBondContact O-OD1 2.77Å; F771-T836 HydrophobicContact CD1-CG2 3.85Å; F771-T836 HydrophobicContact CE1-CG2 3.88Å; F771-T836 WeakPolarHBondContact O-CB 3.24Å; F771-T836 WeakPolarHBondContact O-CG2 3.14Å; F771-T836 PolarHBondContact O-OG1 3.49Å; F771-M837 HydrophobicContact CB-CE 4.17Å; F771-M837 HydrophobicContact CD1-CE 4.19Å; F771-M837 HydrophobicContact CD1-CG 4.17Å; F771-I844 HydrophobicContact CE1-CD1 3.68Å; F771-I844 HydrophobicContact CZ-CD1 3.99Å; F771-F862 HydrophobicContact CD1-CE1 4.12Å; F771-F862 AromaticContact CE1-CE1 3.64Å; F771-F862 HydrophobicContact CE1-CE1 3.64Å; F771-F862 HydrophobicContact CE1-CZ 4.36Å; F771-F862 HydrophobicContact CZ-CE1 4.31Å; F771-I901 HydrophobicContact CD2-CB 4.38Å; F771-I901 HydrophobicContact CD2-CD1 3.89Å; F771-I901 HydrophobicContact CD2-CG2 4.19Å; F771-I901 HydrophobicContact CE2-CD1 3.89Å; F771-I901 HydrophobicContact CE2-CG2 4.47Å
772	I	98.6	Very high	97.1	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	13%	0.125	C	C	.	.			trans	-110.6	109.1	-176.4	-58.5	175	0	0	0	109.3	F770 V780 N782 V829 F832 N833 T836 I901 N902 W1060	F770-I772 HydrophobicContact CD1-CD1 4.24Å; I772-V780 HydrophobicContact CG2-CG2 4.2Å; I772-N782 PolarHBondContact O-ND2 2.97Å; I772-V829 HydrophobicContact CD1-CG1 4.48Å; I772-F832 HydrophobicContact CB-CB 4.34Å; I772-F832 HydrophobicContact CD1-CB 3.7Å; I772-F832 HydrophobicContact CG1-CB 3.75Å; I772-F832 HydrophobicContact CG2-CB 3.76Å; I772-F832 HydrophobicContact CG2-CD1 4.42Å; I772-F832 HydrophobicContact CG2-CG 4.32Å; I772-N833 WeakPolarHBondContact CG1-OD1 3.44Å; I772-T836 WeakPolarHBondContact CA-OG1 3.41Å; I772-I901 PolarHBondContact N-O 2.95Å; I772-N902 HydrophobicContact CB-CB 4.05Å; I772-N902 WeakPolarHBondContact O-CA 3.22Å; I772-W1060 VanDerWaalsContact CD1-O 3.3Å; I772-W1060 WeakPolarHBondContact CD1-O 3.32Å
773	S	98.6	Very high	97.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.136	C	C	.	.			trans	-159.4	-161.8	-174.4	-175.2	0	0	0	0	110.9	N782 I784 G785 R835 T836	S773-N782 WeakPolarHBondContact CB-OD1 3.28Å; S773-N782 PolarHBondContact OG-OD1 3.02Å; S773-I784 PolarHBondContact OG-N 3.3Å; S773-G785 WeakPolarHBondContact OG-CA 3.29Å; S773-G785 PolarHBondContact OG-N 3.09Å; S773-R835 PolarHBondContact O-NH1 3.44Å; S773-R835 VanDerWaalsContact O-NH1 3.11Å; S773-T836 PolarHBondContact N-OG1 2.9Å; S773-T836 PolarHBondContact O-OG1 2.9Å
774	C	98.1	Very high	97.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.136	C	C	.	.			trans	72.7	88.6	-179	-58.1	0	0	0	0	109.1	D776 R835 Y842	C774-D776 PolarHBondContact O-N 2.86Å; C774-R835 PolarHBondContact O-NH1 3.18Å; C774-R835 PolarHBondContact O-NH2 3.36Å; C774-Y842 WeakPolarHBondContact CB-O 3.24Å; C774-Y842 PolarHBondContact SG-O 2.57Å
775	A	96.5	Very high	97.1	Very high	11 Å²	11	30.1 Å²	30.1	9%	0.091	14%	0.136	C	C	.	.			trans	-65.9	123	-168.1	0	0	0	0	0	111	V780 K783 D786	A775-V780 VanDerWaalsContact CA-O 3.29Å; A775-V780 WeakPolarHBondContact CA-O 3.33Å; A775-K783 HydrophobicContact CB-CG 4.24Å; A775-D786 PolarHBondContact N-OD2 3.37Å
776	D	93.4	Very high	97	Very high	35 Å²	35	32 Å²	32	19%	0.187	15%	0.146	C	C	.	.			trans	-96.7	-0.7	162.6	60.4	10	0	0	0	111.8	C774 R778 T779 V780 R835 Y842	C774-D776 PolarHBondContact O-N 2.86Å; D776-R778 PolarHBondContact O-N 3.11Å; D776-R778 VanDerWaalsContact O-N 3.11Å; D776-R778 PolarHBondContact OD1-N 3.01Å; D776-T779 PolarHBondContact OD1-N 3.09Å; D776-T779 PolarHBondContact OD1-OG1 3.21Å; D776-T779 PolarHBondContact OD2-OG1 3.22Å; D776-V780 PolarHBondContact N-O 3.49Å; D776-V780 VanDerWaalsContact N-O 3.12Å; D776-V780 PolarHBondContact OD1-N 2.8Å; D776-R835 IonicContact OD1-NH2 3.47Å; D776-R835 IonicContact OD2-CZ 2.76Å; D776-R835 IonicContact OD2-NE 3.81Å; D776-R835 IonicContact OD2-NH2 3.27Å; D776-R835 PolarHBondContact OD2-NH2 2.72Å; D776-Y842 HydrophobicContact CB-CD1 4.49Å; D776-Y842 HydrophobicContact CB-CD2 4.42Å; D776-Y842 HydrophobicContact CB-CE1 4.3Å; D776-Y842 HydrophobicContact CB-CE2 4.25Å
777	N	90.1	Very high	97	Very high	107 Å²	107	32.2 Å²	32.2	57%	0.572	15%	0.148	S	C	*	.	S	Bend	trans	55	23.7	-174.7	-56.3	-62.8	0	0	0	113.6	V780 Y781	N777-V780 PolarHBondContact N-O 2.87Å; N777-Y781 VanDerWaalsContact C-CE1 3.42Å; N777-Y781 WeakPolarHBondContact O-CE1 3.36Å
778	R	90.9	Very high	97	Very high	199 Å²	199	32.3 Å²	32.3	75%	0.751	15%	0.149	S	C	*	.	S	Bend	trans	-129	-49	-179.8	-174.4	-179.3	178.9	-174.7	-0.7	112.1	D776 Y781	D776-R778 PolarHBondContact O-N 3.11Å; D776-R778 VanDerWaalsContact O-N 3.11Å; D776-R778 PolarHBondContact OD1-N 3.01Å; R778-Y781 PolarHBondContact O-OH 2.79Å
779	T	92	Very high	97	Very high	38 Å²	38	32.9 Å²	32.9	23%	0.233	15%	0.152	C	C	.	.	S	Bend	trans	-119.1	-33.9	-178.8	63.4	0	0	0	0	112.1	D776 T1061	D776-T779 PolarHBondContact OD1-N 3.09Å; D776-T779 PolarHBondContact OD1-OG1 3.21Å; D776-T779 PolarHBondContact OD2-OG1 3.22Å; T779-T1061 PolarHBondContact O-OG1 3.1Å
780	V	96.9	Very high	97.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.177	C	C	.	.			trans	-126	134.7	177	-176.9	0	0	0	0	109	I772 A775 D776 N777 F832 D903 T1061	I772-V780 HydrophobicContact CG2-CG2 4.2Å; A775-V780 VanDerWaalsContact CA-O 3.29Å; A775-V780 WeakPolarHBondContact CA-O 3.33Å; D776-V780 PolarHBondContact N-O 3.49Å; D776-V780 VanDerWaalsContact N-O 3.12Å; D776-V780 PolarHBondContact OD1-N 2.8Å; N777-V780 PolarHBondContact N-O 2.87Å; V780-F832 HydrophobicContact CG2-CD1 4.03Å; V780-F832 HydrophobicContact CG2-CE1 4.16Å; V780-D903 WeakPolarHBondContact CA-OD2 3.43Å; V780-T1061 HydrophobicContact CG2-CG2 4.11Å
781	Y	97.9	Very high	97.1	Very high	89 Å²	89	37.8 Å²	37.8	35%	0.349	17%	0.174	S	C	.	.			trans	-122.8	-27.6	-170.4	-65.5	-85.5	0	0	0	114.5	N777 R778 D903 L907	N777-Y781 VanDerWaalsContact C-CE1 3.42Å; N777-Y781 WeakPolarHBondContact O-CE1 3.36Å; R778-Y781 PolarHBondContact O-OH 2.79Å; Y781-D903 WeakPolarHBondContact CD2-OD2 3.41Å; Y781-D903 PolarHBondContact N-OD1 3.1Å; Y781-D903 VanDerWaalsContact N-OD1 3.17Å; Y781-D903 PolarHBondContact N-OD2 3.26Å; Y781-L907 HydrophobicContact CD2-CD1 4.39Å
782	N	98.5	Very high	97.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	17%	0.174	C	C	.	.			trans	-68.2	148.2	179.2	82.5	87.8	0	0	0	111.7	I772 S773 D903 M906	I772-N782 PolarHBondContact O-ND2 2.97Å; S773-N782 WeakPolarHBondContact CB-OD1 3.28Å; S773-N782 PolarHBondContact OG-OD1 3.02Å; N782-D903 VanDerWaalsContact CB-OD1 3.28Å; N782-D903 WeakPolarHBondContact CB-OD1 3.36Å; N782-D903 PolarHBondContact N-OD1 3.49Å; N782-D903 PolarHBondContact ND2-OD1 2.92Å; N782-M906 HydrophobicContact CB-CB 4.04Å
783	K	98.6	Very high	97.1	Very high	109 Å²	109	38.9 Å²	38.9	47%	0.474	18%	0.18	S	C	.	.			trans	-112.5	23.1	-168.7	-61.6	-173.5	177.4	-174.7	0	114.3	H750 I754 A775 D786 A787	H750-K783 PolarHBondContact NE2-N 3.46Å; H750-K783 VanDerWaalsContact NE2-N 3.14Å; I754-K783 HydrophobicContact CD1-CB 3.94Å; A775-K783 HydrophobicContact CB-CG 4.24Å; K783-D786 WeakPolarHBondContact CA-OD2 3.42Å; K783-D786 HydrophobicContact CB-CB 4.24Å; K783-D786 PolarHBondContact O-N 3.26Å; K783-A787 WeakPolarHBondContact O-CB 3.49Å; K783-A787 PolarHBondContact O-N 3.14Å
784	I	98.9	Very high	97.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-67.5	-48.3	-176.8	-67.1	177.9	0	0	0	110.6	Y753 I757 S773 D786 A787 I788 I901 M906	Y753-I784 HydrophobicContact CD1-CD1 4Å; Y753-I784 HydrophobicContact CD1-CG2 4.47Å; Y753-I784 HydrophobicContact CG-CD1 4.03Å; I757-I784 HydrophobicContact CD1-CG2 3.82Å; S773-I784 PolarHBondContact OG-N 3.3Å; I784-D786 VanDerWaalsContact C-N 3.34Å; I784-D786 PolarHBondContact O-N 3.08Å; I784-A787 WeakPolarHBondContact O-CB 3.09Å; I784-A787 PolarHBondContact O-N 3.36Å; I784-I788 HydrophobicContact CG2-CD1 4.35Å; I784-I788 WeakPolarHBondContact O-CG1 3.39Å; I784-I788 PolarHBondContact O-N 2.76Å; I784-I901 HydrophobicContact CB-CG2 4.23Å; I784-I901 HydrophobicContact CD1-CG1 4.15Å; I784-I901 HydrophobicContact CD1-CG2 4.18Å; I784-I901 HydrophobicContact CG2-CD1 4.24Å; I784-I901 HydrophobicContact CG2-CG1 4.48Å; I784-I901 HydrophobicContact CG2-CG2 4.09Å; I784-M906 HydrophobicContact CD1-CE 3.56Å; I784-M906 HydrophobicContact CD1-CG 3.89Å; I784-M906 HydrophobicContact CD1-SD 3.76Å
785	G	98.8	Very high	97.2	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-59.7	-40.3	173	0	0	0	0	0	112.9	S773 I788 I789	S773-G785 WeakPolarHBondContact OG-CA 3.29Å; S773-G785 PolarHBondContact OG-N 3.09Å; G785-I788 WeakPolarHBondContact O-CB 3.37Å; G785-I788 PolarHBondContact O-N 2.81Å; G785-I789 WeakPolarHBondContact O-CD1 3.48Å; G785-I789 VanDerWaalsContact O-CG1 3.28Å; G785-I789 WeakPolarHBondContact O-CG1 3.46Å; G785-I789 PolarHBondContact O-N 2.98Å
786	D	98.8	Very high	97.3	Very high	39 Å²	39	45.3 Å²	45.3	21%	0.209	20%	0.204	C	C	.	.	H	α-helix	trans	-62	-44.7	174.2	-56.5	-67.6	0	0	0	111	A775 K783 I784 I788 I789 E790	A775-D786 PolarHBondContact N-OD2 3.37Å; K783-D786 WeakPolarHBondContact CA-OD2 3.42Å; K783-D786 HydrophobicContact CB-CB 4.24Å; K783-D786 PolarHBondContact O-N 3.26Å; I784-D786 VanDerWaalsContact C-N 3.34Å; I784-D786 PolarHBondContact O-N 3.08Å; D786-I788 VanDerWaalsContact C-N 3.31Å; D786-I788 PolarHBondContact O-N 2.97Å; D786-I789 PolarHBondContact O-N 2.79Å; D786-E790 WeakPolarHBondContact O-CG 3.33Å; D786-E790 PolarHBondContact O-N 2.77Å
787	A	98.9	Very high	97.5	Very high	6 Å²	6	50.4 Å²	50.4	5%	0.05	23%	0.225	C	C	.	.	H	α-helix	trans	-62.1	-36.5	175.3	0	0	0	0	0	112.6	I754 I757 K783 I784 R791	I754-A787 HydrophobicContact CG2-CB 4.31Å; I757-A787 HydrophobicContact CB-CB 4.31Å; I757-A787 HydrophobicContact CG2-CB 3.96Å; K783-A787 WeakPolarHBondContact O-CB 3.49Å; K783-A787 PolarHBondContact O-N 3.14Å; I784-A787 WeakPolarHBondContact O-CB 3.09Å; I784-A787 PolarHBondContact O-N 3.36Å; A787-R791 WeakPolarHBondContact O-CB 3.39Å; A787-R791 PolarHBondContact O-N 2.76Å
788	I	98.9	Very high	97.9	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-64.2	-47.8	174.2	-68.8	168.6	0	0	0	110.5	I757 I766 F771 I784 G785 D786 R791 I792 V804 I844 I860	I757-I788 HydrophobicContact CD1-CG1 4.06Å; I757-I788 HydrophobicContact CG2-CG1 4.06Å; I766-I788 HydrophobicContact CD1-CD1 3.95Å; F771-I788 HydrophobicContact CE2-CD1 4.3Å; F771-I788 HydrophobicContact CZ-CD1 3.88Å; I784-I788 HydrophobicContact CG2-CD1 4.35Å; I784-I788 WeakPolarHBondContact O-CG1 3.39Å; I784-I788 PolarHBondContact O-N 2.76Å; G785-I788 WeakPolarHBondContact O-CB 3.37Å; G785-I788 PolarHBondContact O-N 2.81Å; D786-I788 VanDerWaalsContact C-N 3.31Å; D786-I788 PolarHBondContact O-N 2.97Å; I788-R791 PolarHBondContact O-N 3.33Å; I788-I792 HydrophobicContact CG2-CD1 3.75Å; I788-I792 HydrophobicContact CG2-CG1 4.48Å; I788-I792 WeakPolarHBondContact O-CG1 3.5Å; I788-I792 PolarHBondContact O-N 2.9Å; I788-V804 HydrophobicContact CG2-CG1 4.26Å; I788-V804 HydrophobicContact CG2-CG2 4.4Å; I788-I844 HydrophobicContact CG2-CD1 4.41Å; I788-I860 HydrophobicContact CG2-CD1 4.08Å
789	I	98.9	Very high	98.1	Very high	11 Å²	11	43.6 Å²	43.6	6%	0.056	22%	0.216	C	C	.	.	H	α-helix	trans	-57.9	-54.2	178.3	-68.9	160.3	0	0	0	110	G785 D786 R791 I792 I793 I844 Q847 L848	G785-I789 WeakPolarHBondContact O-CD1 3.48Å; G785-I789 VanDerWaalsContact O-CG1 3.28Å; G785-I789 WeakPolarHBondContact O-CG1 3.46Å; G785-I789 PolarHBondContact O-N 2.98Å; D786-I789 PolarHBondContact O-N 2.79Å; I789-R791 VanDerWaalsContact C-N 3.28Å; I789-R791 PolarHBondContact O-N 2.83Å; I789-I792 PolarHBondContact O-N 2.95Å; I789-I793 HydrophobicContact CG2-CD1 3.55Å; I789-I793 HydrophobicContact CG2-CG1 4.43Å; I789-I793 WeakPolarHBondContact O-CB 2.98Å; I789-I793 VanDerWaalsContact O-CG1 3.32Å; I789-I793 WeakPolarHBondContact O-CG1 3.4Å; I789-I793 PolarHBondContact O-N 2.77Å; I789-I844 HydrophobicContact CD1-CB 4.38Å; I789-I844 HydrophobicContact CD1-CG1 3.98Å; I789-I844 HydrophobicContact CG1-CB 4.1Å; I789-I844 HydrophobicContact CG1-CG1 3.91Å; I789-I844 HydrophobicContact CG1-CG2 3.97Å; I789-Q847 HydrophobicContact CD1-CB 4.04Å; I789-Q847 HydrophobicContact CD1-CG 4.14Å; I789-Q847 HydrophobicContact CG1-CB 4.37Å; I789-Q847 HydrophobicContact CG2-CB 3.9Å; I789-L848 HydrophobicContact CG2-CD2 4.45Å
790	E	98.8	Very high	98.4	Very high	136 Å²	136	47.3 Å²	47.3	64%	0.636	23%	0.229	S	C	*	.	H	α-helix	trans	-58	-42.4	179.8	-72.7	177.6	-173.1	0	0	111.6	D786 R794	D786-E790 WeakPolarHBondContact O-CG 3.33Å; D786-E790 PolarHBondContact O-N 2.77Å; E790-R794 WeakPolarHBondContact O-CB 3.47Å; E790-R794 PolarHBondContact O-N 3.46Å
791	R	98.9	Very high	98.4	Very high	10 Å²	10	50.3 Å²	50.3	4%	0.038	24%	0.242	C	C	.	.	H	α-helix	trans	-66.4	-42.1	-179.5	178.7	61.3	-167.6	90.8	-2.6	112.5	I757 S760 K761 A787 I788 I789 R794 A795 Y802	I757-R791 HydrophobicContact CG2-CB 4.16Å; I757-R791 WeakPolarHBondContact O-CD 3.33Å; I757-R791 WeakPolarHBondContact O-CG 3.31Å; S760-R791 PolarHBondContact O-NE 3.43Å; S760-R791 PolarHBondContact O-NH2 2.67Å; S760-R791 PolarHBondContact OG-NE 2.88Å; K761-R791 PolarHBondContact O-NH2 3.05Å; A787-R791 WeakPolarHBondContact O-CB 3.39Å; A787-R791 PolarHBondContact O-N 2.76Å; I788-R791 PolarHBondContact O-N 3.33Å; I789-R791 VanDerWaalsContact C-N 3.28Å; I789-R791 PolarHBondContact O-N 2.83Å; R791-R794 PolarHBondContact O-N 3.22Å; R791-A795 PolarHBondContact O-N 2.9Å; R791-A795 VanDerWaalsContact O-N 3.13Å; R791-Y802 HydrophobicContact CG-CD1 4.45Å; R791-Y802 HydrophobicContact CG-CE1 3.65Å; R791-Y802 HydrophobicContact CG-CE2 4.19Å; R791-Y802 WeakPolarHBondContact CG-OH 3.34Å
792	I	98.9	Very high	98.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-67	-46.9	177.1	-70.9	170.1	0	0	0	110.3	I788 I789 R794 A795 H796 Y802 V804 L848 M852 Y859 I860	I788-I792 HydrophobicContact CG2-CD1 3.75Å; I788-I792 HydrophobicContact CG2-CG1 4.48Å; I788-I792 WeakPolarHBondContact O-CG1 3.5Å; I788-I792 PolarHBondContact O-N 2.9Å; I789-I792 PolarHBondContact O-N 2.95Å; I792-R794 PolarHBondContact O-N 3.03Å; I792-A795 WeakPolarHBondContact O-CB 3.11Å; I792-A795 PolarHBondContact O-N 3.04Å; I792-H796 PolarHBondContact O-N 3.42Å; I792-Y802 HydrophobicContact CG1-CD1 4.13Å; I792-Y802 HydrophobicContact CG1-CE1 4.12Å; I792-V804 HydrophobicContact CD1-CB 4.38Å; I792-V804 HydrophobicContact CD1-CG2 3.85Å; I792-V804 HydrophobicContact CG1-CG2 3.95Å; I792-L848 HydrophobicContact CB-CD2 3.92Å; I792-L848 HydrophobicContact CD1-CD1 3.94Å; I792-L848 HydrophobicContact CG2-CD1 4.08Å; I792-L848 HydrophobicContact CG2-CD2 3.57Å; I792-L848 HydrophobicContact CG2-CG 4.48Å; I792-M852 HydrophobicContact CG2-CE 3.93Å; I792-M852 HydrophobicContact CG2-SD 4.33Å; I792-Y859 VanDerWaalsContact CG2-CB 3.46Å; I792-Y859 HydrophobicContact CG2-CD1 4.04Å; I792-Y859 HydrophobicContact CG2-CD2 4.23Å; I792-Y859 HydrophobicContact CG2-CG 3.66Å; I792-I860 HydrophobicContact CD1-CB 4Å; I792-I860 HydrophobicContact CD1-CD1 4.28Å; I792-I860 HydrophobicContact CD1-CG2 4.42Å
793	I	98.8	Very high	98.5	Very high	25 Å²	25	46.5 Å²	46.5	13%	0.128	23%	0.227	C	C	.	.	H	α-helix	trans	-57.3	-41.4	176.9	-70.1	166.7	0	0	0	110.6	I789 H796 K797 L848 E851 M852	I789-I793 HydrophobicContact CG2-CD1 3.55Å; I789-I793 HydrophobicContact CG2-CG1 4.43Å; I789-I793 WeakPolarHBondContact O-CB 2.98Å; I789-I793 VanDerWaalsContact O-CG1 3.32Å; I789-I793 WeakPolarHBondContact O-CG1 3.4Å; I789-I793 PolarHBondContact O-N 2.77Å; I793-H796 PolarHBondContact O-N 2.97Å; I793-K797 HydrophobicContact CG2-CD 3.82Å; I793-K797 HydrophobicContact CG2-CG 4.36Å; I793-K797 WeakPolarHBondContact O-CB 3.37Å; I793-K797 WeakPolarHBondContact O-CG 3.33Å; I793-K797 PolarHBondContact O-N 3.31Å; I793-L848 HydrophobicContact CG1-CD2 3.93Å; I793-E851 HydrophobicContact CD1-CG 3.84Å; I793-E851 HydrophobicContact CG1-CB 4.29Å; I793-E851 HydrophobicContact CG1-CG 4.1Å; I793-M852 HydrophobicContact CG1-CE 4.32Å
794	R	98.6	Very high	98.5	Very high	98 Å²	98	41.4 Å²	41.4	37%	0.37	21%	0.205	S	C	.	.	H	α-helix	trans	-59.9	-47.3	174.4	-175.9	177.9	71.4	-167.4	3.5	112	A758 E790 R791 I792 H796 K797 E798	A758-R794 PolarHBondContact O-NH1 3.36Å; A758-R794 VanDerWaalsContact O-NH1 3.11Å; A758-R794 PolarHBondContact O-NH2 3.43Å; E790-R794 WeakPolarHBondContact O-CB 3.47Å; E790-R794 PolarHBondContact O-N 3.46Å; R791-R794 PolarHBondContact O-N 3.22Å; I792-R794 PolarHBondContact O-N 3.03Å; R794-H796 VanDerWaalsContact C-N 3.32Å; R794-H796 PolarHBondContact O-N 2.61Å; R794-K797 PolarHBondContact O-N 2.83Å; R794-E798 HydrophobicContact CG-CG 4.45Å; R794-E798 WeakPolarHBondContact CG-OE1 3.25Å; R794-E798 WeakPolarHBondContact O-CB 3.33Å; R794-E798 VanDerWaalsContact O-CG 3.31Å; R794-E798 WeakPolarHBondContact O-CG 3.48Å; R794-E798 PolarHBondContact O-N 2.95Å
795	A	98.6	Very high	98.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-59.2	-45	177.4	0	0	0	0	0	111.9	R791 I792 E798 G799 K800 Y802 Y859	R791-A795 PolarHBondContact O-N 2.9Å; R791-A795 VanDerWaalsContact O-N 3.13Å; I792-A795 WeakPolarHBondContact O-CB 3.11Å; I792-A795 PolarHBondContact O-N 3.04Å; A795-E798 CarbonylContact O-C 3.26Å; A795-E798 PolarHBondContact O-N 3.02Å; A795-G799 PolarHBondContact O-N 3.23Å; A795-K800 PolarHBondContact O-N 3.12Å; A795-Y802 HydrophobicContact CB-CD1 4.36Å; A795-Y802 HydrophobicContact CB-CG 4.02Å; A795-Y859 HydrophobicContact CB-CE1 4.33Å
796	H	98.4	Very high	98.5	Very high	48 Å²	48	41.4 Å²	41.4	22%	0.222	21%	0.205	C	C	.	.	H	α-helix	trans	-60.3	-49.4	178.6	178.5	62.2	0	0	0	111.8	I792 I793 R794 E798 G799 M852 Q855 Y859	I792-H796 PolarHBondContact O-N 3.42Å; I793-H796 PolarHBondContact O-N 2.97Å; R794-H796 VanDerWaalsContact C-N 3.32Å; R794-H796 PolarHBondContact O-N 2.61Å; H796-E798 VanDerWaalsContact C-N 3.27Å; H796-E798 PolarHBondContact O-N 2.98Å; H796-G799 PolarHBondContact O-N 2.8Å; H796-M852 HydrophobicContact CB-CE 3.67Å; H796-M852 HydrophobicContact CB-SD 4.48Å; H796-M852 WeakPolarHBondContact NE2-CB 3.26Å; H796-Q855 PolarHBondContact CE1-OE1 2.79Å; H796-Q855 VanDerWaalsContact CE1-OE1 3.31Å; H796-Y859 HydrophobicContact CB-CE1 4.34Å; H796-Y859 HydrophobicContact CB-CE2 4.41Å; H796-Y859 AromaticContact ND1-CZ 3.83Å; H796-Y859 PolarHBondContact ND1-OH 3.13Å; H796-Y859 VanDerWaalsContact ND1-OH 3.13Å
797	K	98	Very high	98.5	Very high	142 Å²	142	39.6 Å²	39.6	62%	0.617	20%	0.195	S	C	*	.	H	α-helix	trans	-63	-32.7	178	-73.2	177.6	178.2	168.6	0	112.8	I793 R794 G799 E851	I793-K797 HydrophobicContact CG2-CD 3.82Å; I793-K797 HydrophobicContact CG2-CG 4.36Å; I793-K797 WeakPolarHBondContact O-CB 3.37Å; I793-K797 WeakPolarHBondContact O-CG 3.33Å; I793-K797 PolarHBondContact O-N 3.31Å; R794-K797 PolarHBondContact O-N 2.83Å; K797-G799 VanDerWaalsContact C-N 3.33Å; K797-E851 WeakPolarHBondContact CE-OE2 3.35Å; K797-E851 IonicContact NZ-OE2 3.94Å; K797-E851 PolarHBondContact NZ-OE2 3.29Å
798	E	97.9	Very high	98.5	Very high	95 Å²	95	39.3 Å²	39.3	44%	0.444	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-4.2	176.1	-68.8	177.5	-161.4	0	0	113.6	R794 A795 H796 K800	R794-E798 HydrophobicContact CG-CG 4.45Å; R794-E798 WeakPolarHBondContact CG-OE1 3.25Å; R794-E798 WeakPolarHBondContact O-CB 3.33Å; R794-E798 VanDerWaalsContact O-CG 3.31Å; R794-E798 WeakPolarHBondContact O-CG 3.48Å; R794-E798 PolarHBondContact O-N 2.95Å; A795-E798 CarbonylContact O-C 3.26Å; A795-E798 PolarHBondContact O-N 3.02Å; H796-E798 VanDerWaalsContact C-N 3.27Å; H796-E798 PolarHBondContact O-N 2.98Å; E798-K800 HydrophobicContact CB-CD 4.21Å; E798-K800 HydrophobicContact CB-CG 4.04Å; E798-K800 PolarHBondContact O-N 3.42Å; E798-K800 WeakPolarHBondContact OE2-CD 3.25Å; E798-K800 VanDerWaalsContact OE2-CE 3.28Å; E798-K800 WeakPolarHBondContact OE2-CE 3.35Å; E798-K800 IonicContact OE2-NZ 3.89Å; E798-K800 PolarHBondContact OE2-NZ 2.96Å
799	G	96.9	Very high	98.4	Very high	68 Å²	68	39.4 Å²	39.4	70%	0.701	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.1	24.3	-174.5	0	0	0	0	0	113.8	A795 H796 K797	A795-G799 PolarHBondContact O-N 3.23Å; H796-G799 PolarHBondContact O-N 2.8Å; K797-G799 VanDerWaalsContact C-N 3.33Å
800	K	97	Very high	98.4	Very high	116 Å²	116	39.3 Å²	39.3	50%	0.504	19%	0.193	S	C	.	.			trans	-95.2	142	-177.8	-71.9	-176.8	-174.5	157.3	0	111.6	A795 E798 Y802	A795-K800 PolarHBondContact O-N 3.12Å; E798-K800 HydrophobicContact CB-CD 4.21Å; E798-K800 HydrophobicContact CB-CG 4.04Å; E798-K800 PolarHBondContact O-N 3.42Å; E798-K800 WeakPolarHBondContact OE2-CD 3.25Å; E798-K800 VanDerWaalsContact OE2-CE 3.28Å; E798-K800 WeakPolarHBondContact OE2-CE 3.35Å; E798-K800 IonicContact OE2-NZ 3.89Å; E798-K800 PolarHBondContact OE2-NZ 2.96Å; K800-Y802 PolarHBondContact O-N 2.92Å
801	K	97.8	Very high	98.1	Very high	62 Å²	62	33 Å²	33	27%	0.27	16%	0.164	S	C	.	.			trans	-68.5	125	172.4	-160.9	166.3	-58.2	-174.3	0	110	D929 V965 D967	K801-D929 HydrophobicContact CD-CB 4.43Å; K801-D929 VanDerWaalsContact CD-CG 3.49Å; K801-D929 VanDerWaalsContact CD-OD1 3.25Å; K801-D929 WeakPolarHBondContact CD-OD1 3.11Å; K801-D929 WeakPolarHBondContact CD-OD2 3.31Å; K801-D929 WeakPolarHBondContact CE-OD1 3.03Å; K801-D929 WeakPolarHBondContact CE-OD2 3.11Å; K801-D929 IonicContact NZ-OD1 3.08Å; K801-D929 PolarHBondContact NZ-OD1 3.07Å; K801-D929 IonicContact NZ-OD2 3.67Å; K801-D929 PolarHBondContact NZ-OD2 3.33Å; K801-V965 VanDerWaalsContact CD-O 3.3Å; K801-V965 WeakPolarHBondContact CD-O 3.38Å; K801-D967 IonicContact NZ-OD2 2.75Å; K801-D967 PolarHBondContact NZ-OD2 3.46Å
802	Y	98.8	Very high	97.7	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.008	16%	0.164	C	C	.	.			trans	-149.4	135.5	178.9	-174	-101.4	0	0	0	110.4	S760 H762 V764 R791 I792 A795 K800 V804 Y859	S760-Y802 VanDerWaalsContact OG-CE2 3.25Å; S760-Y802 WeakPolarHBondContact OG-CE2 3.23Å; S760-Y802 VanDerWaalsContact OG-CZ 3.31Å; S760-Y802 PolarHBondContact OG-OH 2.93Å; H762-Y802 VanDerWaalsContact O-CA 3.22Å; H762-Y802 WeakPolarHBondContact O-CA 3.23Å; H762-Y802 WeakPolarHBondContact O-CD2 3.49Å; V764-Y802 WeakPolarHBondContact CG2-OH 3.16Å; R791-Y802 HydrophobicContact CG-CD1 4.45Å; R791-Y802 HydrophobicContact CG-CE1 3.65Å; R791-Y802 HydrophobicContact CG-CE2 4.19Å; R791-Y802 WeakPolarHBondContact CG-OH 3.34Å; I792-Y802 HydrophobicContact CG1-CD1 4.13Å; I792-Y802 HydrophobicContact CG1-CE1 4.12Å; A795-Y802 HydrophobicContact CB-CD1 4.36Å; A795-Y802 HydrophobicContact CB-CG 4.02Å; K800-Y802 PolarHBondContact O-N 2.92Å; Y802-V804 HydrophobicContact CD1-CG2 4.15Å; Y802-V804 HydrophobicContact CE1-CG2 3.42Å; Y802-V804 VanDerWaalsContact CE1-CG2 3.42Å; Y802-Y859 WeakPolarHBondContact O-CD1 3.31Å
803	R	98.8	Very high	96.9	Very high	8 Å²	8	33.8 Å²	33.8	3%	0.03	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	145.4	-179.2	-49.6	-60.7	-176.2	-176.1	5.3	112.1	H762 Y763 V764 Y805 N858 Y859 V965 D967 Y970	H762-R803 PolarHBondContact O-N 2.85Å; Y763-R803 CarbonylContact C-O 3.57Å; Y763-R803 WeakPolarHBondContact CA-O 3.5Å; Y763-R803 VanDerWaalsContact CB-O 3.24Å; Y763-R803 WeakPolarHBondContact CB-O 3.3Å; V764-R803 PolarHBondContact N-O 3.19Å; R803-Y805 HydrophobicContact CB-CD2 4.48Å; R803-Y805 HydrophobicContact CB-CE2 3.77Å; R803-N858 WeakPolarHBondContact CD-O 3.33Å; R803-N858 PolarHBondContact NH1-O 3.26Å; R803-Y859 CarbonylContact C-O 3.59Å; R803-Y859 WeakPolarHBondContact CA-O 3.38Å; R803-V965 HydrophobicContact CB-CG1 4.45Å; R803-V965 HydrophobicContact CG-CB 4.07Å; R803-V965 HydrophobicContact CG-CG1 4.01Å; R803-V965 PolarHBondContact NE-O 3.23Å; R803-V965 PolarHBondContact NH2-O 3.04Å; R803-V965 VanDerWaalsContact NH2-O 3.13Å; R803-D967 IonicContact CZ-OD1 3.12Å; R803-D967 IonicContact NH1-OD1 3.91Å; R803-D967 IonicContact NH2-OD1 3.71Å; R803-D967 PolarHBondContact NH2-OD1 3.35Å; R803-D967 IonicContact NH2-OD2 3.62Å; R803-Y970 HydrophobicContact CG-CD2 4.2Å
804	V	98.9	Very high	96.1	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.006	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	122.4	171.2	-176.8	0	0	0	0	108.4	V764 I788 I792 Y802 V806 Y859 I860 S861	V764-V804 WeakPolarHBondContact O-CA 3.37Å; I788-V804 HydrophobicContact CG2-CG1 4.26Å; I788-V804 HydrophobicContact CG2-CG2 4.4Å; I792-V804 HydrophobicContact CD1-CB 4.38Å; I792-V804 HydrophobicContact CD1-CG2 3.85Å; I792-V804 HydrophobicContact CG1-CG2 3.95Å; Y802-V804 HydrophobicContact CD1-CG2 4.15Å; Y802-V804 HydrophobicContact CE1-CG2 3.42Å; Y802-V804 VanDerWaalsContact CE1-CG2 3.42Å; V804-V806 HydrophobicContact CG1-CG2 4.06Å; V804-Y859 PolarHBondContact N-O 3.15Å; V804-I860 HydrophobicContact CB-CB 4.19Å; V804-I860 HydrophobicContact CB-CD1 4.18Å; V804-I860 HydrophobicContact CB-CG1 3.93Å; V804-I860 HydrophobicContact CG1-CD1 3.95Å; V804-I860 HydrophobicContact CG1-CG1 4.07Å; V804-I860 CarbonylContact O-C 3.57Å; V804-I860 VanDerWaalsContact O-CA 3.28Å; V804-I860 WeakPolarHBondContact O-CA 3.34Å; V804-S861 PolarHBondContact O-N 2.74Å
805	Y	98.9	Very high	95.2	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	123.2	178.1	-59.2	-76.7	0	0	0	108.3	Y763 V764 Y765 I766 R803 F947 P964 F969 Y970 W974	Y763-Y805 HydrophobicContact CD2-CD2 4.21Å; Y763-Y805 HydrophobicContact CD2-CE2 4.27Å; V764-Y805 PolarHBondContact O-N 2.78Å; Y765-Y805 HydrophobicContact CD2-CD2 4.41Å; Y765-Y805 HydrophobicContact CD2-CG 4.23Å; I766-Y805 PolarHBondContact N-O 2.8Å; R803-Y805 HydrophobicContact CB-CD2 4.48Å; R803-Y805 HydrophobicContact CB-CE2 3.77Å; Y805-F947 HydrophobicContact CE2-CZ 4.49Å; Y805-P964 WeakPolarHBondContact CE2-O 3.26Å; Y805-P964 PolarHBondContact OH-O 3.08Å; Y805-F969 HydrophobicContact CE1-CE1 4.3Å; Y805-F969 AromaticContact CZ-CE1 3.92Å; Y805-F969 WeakPolarHBondContact OH-CE1 3.31Å; Y805-Y970 HydrophobicContact CD1-CE2 4.46Å; Y805-Y970 AromaticContact CE1-CD2 3.56Å; Y805-Y970 HydrophobicContact CE1-CD2 3.56Å; Y805-Y970 AromaticContact CE1-CE2 3.77Å; Y805-Y970 HydrophobicContact CE1-CE2 3.77Å; Y805-Y970 AromaticContact CZ-CD2 3.84Å; Y805-Y970 WeakPolarHBondContact OH-CD2 3.48Å; Y805-W974 AromaticContact CD1-CD2 3.67Å; Y805-W974 HydrophobicContact CD1-CD2 3.67Å; Y805-W974 AromaticContact CD1-CE2 3.5Å; Y805-W974 VanDerWaalsContact CD1-CE2 3.5Å; Y805-W974 HydrophobicContact CD1-CE3 4.04Å; Y805-W974 HydrophobicContact CD1-CG 4.17Å; Y805-W974 HydrophobicContact CD1-CH2 4.12Å; Y805-W974 AromaticContact CD1-CZ2 3.76Å; Y805-W974 HydrophobicContact CD1-CZ2 3.76Å; Y805-W974 HydrophobicContact CD1-CZ3 4.23Å; Y805-W974 AromaticContact CD1-NE1 3.84Å; Y805-W974 HydrophobicContact CE1-CB 4.48Å; Y805-W974 AromaticContact CE1-CD2 3.78Å; Y805-W974 HydrophobicContact CE1-CD2 3.78Å; Y805-W974 HydrophobicContact CE1-CE3 4.17Å; Y805-W974 AromaticContact CE1-CG 3.88Å; Y805-W974 HydrophobicContact CE1-CG 3.88Å; Y805-W974 HydrophobicContact CG-CH2 4.48Å; Y805-W974 HydrophobicContact CG-CZ2 4.39Å
806	V	98.9	Very high	94.1	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	115.2	178.1	-176.4	0	0	0	0	108.8	F771 V804 I860 S861 F862 A863	F771-V806 HydrophobicContact CD1-CG1 4.38Å; F771-V806 HydrophobicContact CD2-CG1 3.86Å; F771-V806 HydrophobicContact CE1-CG1 4.4Å; F771-V806 HydrophobicContact CE2-CG1 3.88Å; F771-V806 HydrophobicContact CE2-CG2 4.25Å; F771-V806 HydrophobicContact CG-CG1 4.11Å; F771-V806 HydrophobicContact CZ-CG1 4.15Å; F771-V806 HydrophobicContact CZ-CG2 4.04Å; V804-V806 HydrophobicContact CG1-CG2 4.06Å; V806-I860 HydrophobicContact CG2-CD1 4.36Å; V806-S861 PolarHBondContact N-O 3.01Å; V806-F862 HydrophobicContact CB-CD1 3.68Å; V806-F862 HydrophobicContact CB-CE1 3.99Å; V806-F862 HydrophobicContact CG1-CD1 3.89Å; V806-F862 HydrophobicContact CG1-CE1 4.15Å; V806-F862 HydrophobicContact CG2-CD1 4.12Å; V806-F862 HydrophobicContact CG2-CE1 3.92Å; V806-F862 WeakPolarHBondContact O-CA 3.39Å; V806-A863 PolarHBondContact O-N 3.32Å
807	V	98.9	Very high	93.2	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	122.4	174.5	-176.3	0	0	0	0	108.6	Y765 I766 E767 N768 A863 L865 V882 W974 L1031	Y765-V807 HydrophobicContact CE2-CG2 3.97Å; I766-V807 PolarHBondContact O-N 3.36Å; E767-V807 WeakPolarHBondContact CA-O 3.44Å; E767-V807 HydrophobicContact CG-CB 4.17Å; N768-V807 PolarHBondContact N-O 3.08Å; V807-A863 WeakPolarHBondContact CA-O 3.04Å; V807-L865 HydrophobicContact CG1-CD1 4.42Å; V807-L865 HydrophobicContact CG1-CD2 4.1Å; V807-L865 HydrophobicContact CG1-CG 3.98Å; V807-V882 HydrophobicContact CG1-CG2 3.99Å; V807-W974 HydrophobicContact CG2-CH2 3.79Å; V807-W974 HydrophobicContact CG2-CZ2 4.22Å; V807-L1031 HydrophobicContact CG2-CD1 4.36Å
808	T	98.6	Very high	92.5	Very high	1 Å²	1	34 Å²	34	1%	0.006	19%	0.187	C	C	.	.			trans	-145.8	155.1	-174	-160.1	0	0	0	0	109.2	N768 L810 M837 A863 G864 F1034	N768-T808 WeakPolarHBondContact O-CA 3.37Å; N768-T808 WeakPolarHBondContact O-CB 3.21Å; N768-T808 PolarHBondContact O-OG1 3.49Å; T808-L810 PolarHBondContact O-N 3.26Å; T808-M837 HydrophobicContact CG2-CE 3.74Å; T808-A863 PolarHBondContact N-O 3.01Å; T808-G864 VanDerWaalsContact O-CA 3.31Å; T808-G864 WeakPolarHBondContact O-CA 3.38Å; T808-F1034 HydrophobicContact CG2-CD2 3.82Å; T808-F1034 HydrophobicContact CG2-CE2 3.48Å; T808-F1034 VanDerWaalsContact CG2-CE2 3.48Å; T808-F1034 HydrophobicContact CG2-CZ 4.31Å
809	P	97.9	Very high	91.5	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.019	18%	0.183	C	C	.	.			trans	-66.2	141.9	-174.6	27.6	-33	0	0	0	110.1	N768 Q769 L811 Y881 V882	N768-P809 WeakPolarHBondContact O-CD 3.46Å; Q769-P809 VanDerWaalsContact O-CD 3.26Å; Q769-P809 WeakPolarHBondContact O-CD 3.45Å; Q769-P809 VanDerWaalsContact O-CG 3.28Å; Q769-P809 WeakPolarHBondContact O-CG 3.3Å; P809-L811 PolarHBondContact O-N 2.74Å; P809-Y881 HydrophobicContact CB-CD2 3.76Å; P809-Y881 HydrophobicContact CB-CE2 3.73Å; P809-Y881 HydrophobicContact CG-CD2 4.46Å; P809-Y881 HydrophobicContact CG-CE2 3.96Å; P809-V882 HydrophobicContact CB-CB 4.33Å
810	L	97.3	Very high	90.4	Very high	9 Å²	9	33.4 Å²	33.4	5%	0.047	18%	0.176	C	C	.	.	S	Bend	trans	-59.4	-32.6	180	-69.7	172.8	0	0	0	112	T808 R866 L879 P993 V1032 F1034	T808-L810 PolarHBondContact O-N 3.26Å; L810-R866 HydrophobicContact CD1-CB 4.23Å; L810-L879 HydrophobicContact CB-CB 4.32Å; L810-L879 HydrophobicContact CB-CD2 4.27Å; L810-L879 HydrophobicContact CD1-CB 3.99Å; L810-P993 HydrophobicContact CB-CG 4.12Å; L810-P993 WeakPolarHBondContact O-CG 3.39Å; L810-V1032 HydrophobicContact CD1-CG2 3.92Å; L810-V1032 HydrophobicContact CD2-CG2 3.96Å; L810-V1032 HydrophobicContact CG-CG2 4.35Å; L810-F1034 HydrophobicContact CD2-CD2 4.29Å
811	L	94	Very high	88.7	Confident	5 Å²	5	27.9 Å²	27.9	3%	0.026	15%	0.152	C	C	.	.	S	Bend	trans	-134.1	146.9	174	-64.6	170	0	0	0	110.3	P809 I818 M830 L879 P993	P809-L811 PolarHBondContact O-N 2.74Å; L811-I818 HydrophobicContact CD1-CB 4.16Å; L811-I818 HydrophobicContact CD1-CD1 4.03Å; L811-I818 HydrophobicContact CD1-CG1 3.74Å; L811-I818 HydrophobicContact CD1-CG2 4.5Å; L811-I818 HydrophobicContact CD2-CD1 3.67Å; L811-I818 HydrophobicContact CD2-CG1 4.2Å; L811-M830 HydrophobicContact CD2-SD 4.12Å; L811-L879 HydrophobicContact CB-CD2 3.9Å; L811-L879 HydrophobicContact CD1-CD2 4.04Å; L811-L879 HydrophobicContact CG-CD2 4.12Å; L811-P993 HydrophobicContact CD2-CB 4.32Å; L811-P993 HydrophobicContact CD2-CG 4.04Å; L811-P993 HydrophobicContact CG-CG 4.34Å
812	P	90.4	Very high	87.7	Confident	5 Å²	5	25.3 Å²	25.3	3%	0.032	14%	0.143	C	C	.	.			trans	-54.5	142.2	165.6	-25.6	34.7	0	0	0	112.3	F814 I826 V829 M830	P812-F814 VanDerWaalsContact C-N 3.31Å; P812-F814 HydrophobicContact CB-CD2 3.74Å; P812-F814 HydrophobicContact CB-CE2 4.02Å; P812-F814 PolarHBondContact O-N 2.87Å; P812-I826 HydrophobicContact CG-CG2 4.34Å; P812-V829 HydrophobicContact CB-CB 4.09Å; P812-V829 HydrophobicContact CB-CG1 3.91Å; P812-V829 HydrophobicContact CG-CB 3.72Å; P812-V829 HydrophobicContact CG-CG1 3.49Å; P812-V829 VanDerWaalsContact CG-CG1 3.49Å; P812-M830 HydrophobicContact CG-CG 3.97Å
813	G	81.8	Confident	86.8	Confident	21 Å²	21	26.3 Å²	26.3	22%	0.216	15%	0.154	C	C	.	.	S	Bend	trans	-86.2	63	-175.3	0	0	0	0	0	112.9	Y881	G813-Y881 WeakPolarHBondContact CA-OH 3.44Å; G813-Y881 PolarHBondContact N-OH 3.37Å
814	F	81.4	Confident	86.1	Confident	73 Å²	73	28.5 Å²	28.5	32%	0.32	17%	0.167	S	C	.	.	S	Bend	trans	-122.5	152	174	-61	-84.4	0	0	0	109.7	F639 F770 P812 G816 A825 I826 V829	F639-F814 CarbonylContact O-C 3.55Å; F770-F814 HydrophobicContact CZ-CE2 4.49Å; P812-F814 VanDerWaalsContact C-N 3.31Å; P812-F814 HydrophobicContact CB-CD2 3.74Å; P812-F814 HydrophobicContact CB-CE2 4.02Å; P812-F814 PolarHBondContact O-N 2.87Å; F814-G816 PolarHBondContact O-N 3.15Å; F814-A825 HydrophobicContact CB-CB 4.47Å; F814-A825 HydrophobicContact CD1-CB 4.49Å; F814-A825 HydrophobicContact CG-CB 4.25Å; F814-I826 HydrophobicContact CB-CG1 4Å; F814-I826 WeakPolarHBondContact O-CD1 3.5Å; F814-V829 HydrophobicContact CE2-CG2 4Å
815	E	78.9	Confident	85.4	Confident	117 Å²	117	29.4 Å²	29.4	55%	0.547	18%	0.175	S	C	.	.			trans	-61.2	129.3	172.1	-177.2	179.9	153	0	0	109.7	F639 D643	F639-E815 WeakPolarHBondContact O-CA 3.35Å; F639-E815 PolarHBondContact O-N 3.19Å; D643-E815 HydrophobicContact CB-CB 4.31Å; D643-E815 WeakPolarHBondContact CB-OE2 3.37Å; D643-E815 PolarHBondContact N-OE2 2.92Å
816	G	75.9	Confident	84.8	Confident	14 Å²	14	29.4 Å²	29.4	14%	0.144	18%	0.175	C	C	.	.			trans	171.1	138	175.3	0	0	0	0	0	112.3	V640 F814 I818	V640-G816 PolarHBondContact O-N 2.77Å; V640-G816 VanDerWaalsContact O-N 3.12Å; F814-G816 PolarHBondContact O-N 3.15Å; G816-I818 PolarHBondContact O-N 2.67Å; G816-I818 VanDerWaalsContact O-N 3.1Å
817	D	80.2	Confident	84.5	Confident	88 Å²	88	30.3 Å²	30.3	47%	0.471	18%	0.179	S	C	.	.			trans	-74.4	103.7	178.5	-171.5	-5.8	0	0	0	110.4	T819 T820 G822	D817-T819 PolarHBondContact O-N 3.36Å; D817-T819 WeakPolarHBondContact OD1-CA 3.36Å; D817-T819 VanDerWaalsContact OD1-CB 3.25Å; D817-T819 WeakPolarHBondContact OD1-CB 3.3Å; D817-T819 WeakPolarHBondContact OD1-CG2 3.36Å; D817-T819 PolarHBondContact OD1-N 3.11Å; D817-T819 PolarHBondContact OD1-OG1 3.2Å; D817-T819 PolarHBondContact OD2-OG1 2.7Å; D817-T820 PolarHBondContact O-N 3.13Å; D817-T820 PolarHBondContact O-OG1 2.94Å; D817-T820 VanDerWaalsContact O-OG1 3.09Å; D817-G822 WeakPolarHBondContact O-CA 3.48Å; D817-G822 PolarHBondContact O-N 3.29Å
818	I	82.9	Confident	84.1	Confident	25 Å²	25	30.3 Å²	30.3	13%	0.128	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-63.2	-21.3	177	-165.3	60.5	0	0	0	112.1	L811 G816 T820 G821 L992 F1038	L811-I818 HydrophobicContact CD1-CB 4.16Å; L811-I818 HydrophobicContact CD1-CD1 4.03Å; L811-I818 HydrophobicContact CD1-CG1 3.74Å; L811-I818 HydrophobicContact CD1-CG2 4.5Å; L811-I818 HydrophobicContact CD2-CD1 3.67Å; L811-I818 HydrophobicContact CD2-CG1 4.2Å; G816-I818 PolarHBondContact O-N 2.67Å; G816-I818 VanDerWaalsContact O-N 3.1Å; I818-T820 PolarHBondContact O-N 3.26Å; I818-G821 PolarHBondContact O-N 2.76Å; I818-L992 HydrophobicContact CG1-CB 4.01Å; I818-L992 HydrophobicContact CG1-CD1 4.23Å; I818-L992 HydrophobicContact CG2-CB 4.39Å; I818-L992 HydrophobicContact CG2-CD1 4.28Å; I818-F1038 HydrophobicContact CD1-CE1 4.29Å; I818-F1038 HydrophobicContact CD1-CZ 4.36Å
819	T	77.1	Confident	83.9	Confident	60 Å²	60	30.4 Å²	30.4	37%	0.368	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-68.7	-24.9	179.1	73.4	0	0	0	0	112.2	D817 G821 L1003 Q1007	D817-T819 PolarHBondContact O-N 3.36Å; D817-T819 WeakPolarHBondContact OD1-CA 3.36Å; D817-T819 VanDerWaalsContact OD1-CB 3.25Å; D817-T819 WeakPolarHBondContact OD1-CB 3.3Å; D817-T819 WeakPolarHBondContact OD1-CG2 3.36Å; D817-T819 PolarHBondContact OD1-N 3.11Å; D817-T819 PolarHBondContact OD1-OG1 3.2Å; D817-T819 PolarHBondContact OD2-OG1 2.7Å; T819-G821 VanDerWaalsContact C-N 3.34Å; T819-L1003 WeakPolarHBondContact O-CD2 3.5Å; T819-Q1007 VanDerWaalsContact C-NE2 3.31Å; T819-Q1007 PolarHBondContact O-NE2 3.16Å; T819-Q1007 PolarHBondContact O-OE1 3.25Å
820	T	74.7	Confident	83.8	Confident	90 Å²	90	30.5 Å²	30.5	55%	0.552	18%	0.18	S	C	*	.	G	3₁₀ helix	trans	-96.6	18.9	171.8	64.2	0	0	0	0	112.8	D817 I818 M1000	D817-T820 PolarHBondContact O-N 3.13Å; D817-T820 PolarHBondContact O-OG1 2.94Å; D817-T820 VanDerWaalsContact O-OG1 3.09Å; I818-T820 PolarHBondContact O-N 3.26Å; T820-M1000 WeakPolarHBondContact O-CE 3.4Å
821	G	60	Low	83.7	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.3	5.9	-177	0	0	0	0	0	114.3	I818 T819 Q827	I818-G821 PolarHBondContact O-N 2.76Å; T819-G821 VanDerWaalsContact C-N 3.34Å; G821-Q827 WeakPolarHBondContact O-CG 3.48Å; G821-Q827 PolarHBondContact O-NE2 3.25Å
822	G	77.2	Confident	83.8	Confident	8 Å²	8	32.7 Å²	32.7	8%	0.082	19%	0.189	C	C	.	.			trans	86.3	166.8	-178.1	0	0	0	0	0	113.5	D817 Q827	D817-G822 WeakPolarHBondContact O-CA 3.48Å; D817-G822 PolarHBondContact O-N 3.29Å; G822-Q827 PolarHBondContact O-NE2 3.19Å
823	G	80.3	Confident	84.2	Confident	23 Å²	23	32.8 Å²	32.8	24%	0.237	19%	0.189	C	C	.	.			trans	-72.6	160	170.7	0	0	0	0	0	112.3	A825 I826 Q827	G823-A825 PolarHBondContact O-N 3.47Å; G823-A825 VanDerWaalsContact O-N 3.11Å; G823-I826 WeakPolarHBondContact O-CA 3.41Å; G823-I826 WeakPolarHBondContact O-CB 3.26Å; G823-I826 PolarHBondContact O-N 3.41Å; G823-Q827 PolarHBondContact O-N 3.21Å
824	N	83.1	Confident	85	Confident	54 Å²	54	32 Å²	32	29%	0.289	18%	0.18	S	C	.	.	H	α-helix	trans	-52.6	-36.5	-179.3	-70.7	-16.5	0	0	0	113.3	A828 E1052	N824-A828 WeakPolarHBondContact O-CB 3.25Å; N824-A828 PolarHBondContact O-N 3.23Å; N824-E1052 HydrophobicContact CB-CB 3.93Å; N824-E1052 HydrophobicContact CB-CG 3.6Å; N824-E1052 PolarHBondContact ND2-OE2 3.38Å
825	A	84.4	Confident	85.8	Confident	21 Å²	21	29.7 Å²	29.7	17%	0.174	17%	0.169	C	C	.	.	H	α-helix	trans	-66.7	-41.7	176.1	0	0	0	0	0	112.7	F814 G823 A828 V829 W1060	F814-A825 HydrophobicContact CB-CB 4.47Å; F814-A825 HydrophobicContact CD1-CB 4.49Å; F814-A825 HydrophobicContact CG-CB 4.25Å; G823-A825 PolarHBondContact O-N 3.47Å; G823-A825 VanDerWaalsContact O-N 3.11Å; A825-A828 PolarHBondContact O-N 2.97Å; A825-V829 WeakPolarHBondContact O-CG2 3.46Å; A825-V829 PolarHBondContact O-N 3.48Å; A825-V829 VanDerWaalsContact O-N 3.13Å; A825-W1060 HydrophobicContact CB-CH2 3.81Å; A825-W1060 HydrophobicContact CB-CZ3 3.69Å
826	I	87.8	Confident	86.7	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-60.5	-49.4	175.8	-62.5	-179.9	0	0	0	109.1	P812 F814 G823 V829 M830	P812-I826 HydrophobicContact CG-CG2 4.34Å; F814-I826 HydrophobicContact CB-CG1 4Å; F814-I826 WeakPolarHBondContact O-CD1 3.5Å; G823-I826 WeakPolarHBondContact O-CA 3.41Å; G823-I826 WeakPolarHBondContact O-CB 3.26Å; G823-I826 PolarHBondContact O-N 3.41Å; I826-V829 PolarHBondContact O-N 3.07Å; I826-M830 HydrophobicContact CG2-CG 4.37Å; I826-M830 HydrophobicContact CG2-SD 3.67Å; I826-M830 WeakPolarHBondContact O-CB 3.37Å; I826-M830 VanDerWaalsContact O-CG 3.22Å; I826-M830 WeakPolarHBondContact O-CG 3.48Å; I826-M830 PolarHBondContact O-N 3.34Å
827	Q	90.9	Very high	87.8	Confident	20 Å²	20	23.4 Å²	23.4	9%	0.093	14%	0.136	C	C	.	.	H	α-helix	trans	-63.2	-44.8	-179.7	-63.3	-176.4	3.9	0	0	112.1	G821 G822 G823 V829 M830 H831 L1044	G821-Q827 WeakPolarHBondContact O-CG 3.48Å; G821-Q827 PolarHBondContact O-NE2 3.25Å; G822-Q827 PolarHBondContact O-NE2 3.19Å; G823-Q827 PolarHBondContact O-N 3.21Å; Q827-V829 PolarHBondContact O-N 2.88Å; Q827-M830 WeakPolarHBondContact O-CB 3.45Å; Q827-M830 PolarHBondContact O-N 3.19Å; Q827-H831 PolarHBondContact O-N 3.12Å; Q827-L1044 CarbonylContact C-O 3.55Å; Q827-L1044 HydrophobicContact CB-CB 4.24Å; Q827-L1044 HydrophobicContact CB-CD2 4.13Å; Q827-L1044 VanDerWaalsContact CB-O 3.27Å; Q827-L1044 WeakPolarHBondContact CB-O 3.42Å; Q827-L1044 HydrophobicContact CG-CD2 4.12Å; Q827-L1044 WeakPolarHBondContact O-CB 3.18Å
828	A	91.4	Very high	88.6	Confident	0 Å²	0	21 Å²	21	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-59.1	-44.2	178.7	0	0	0	0	0	112.3	N824 A825 H831 F832 L1044 P1046 W1060	N824-A828 WeakPolarHBondContact O-CB 3.25Å; N824-A828 PolarHBondContact O-N 3.23Å; A825-A828 PolarHBondContact O-N 2.97Å; A828-H831 WeakPolarHBondContact O-CB 3.47Å; A828-H831 PolarHBondContact O-N 3.35Å; A828-F832 VanDerWaalsContact O-CD2 3.3Å; A828-F832 WeakPolarHBondContact O-CD2 3.19Å; A828-F832 PolarHBondContact O-N 3.48Å; A828-L1044 PolarHBondContact N-O 3.04Å; A828-P1046 HydrophobicContact CB-CG 4Å; A828-W1060 HydrophobicContact CB-CB 4.47Å; A828-W1060 HydrophobicContact CB-CD2 3.86Å; A828-W1060 HydrophobicContact CB-CE3 4.28Å; A828-W1060 HydrophobicContact CB-CG 3.93Å
829	V	93.7	Very high	89.3	Confident	3 Å²	3	22.4 Å²	22.4	2%	0.018	13%	0.126	C	C	.	.	H	α-helix	trans	-68.5	-42.3	176.4	172.4	0	0	0	0	111.2	F770 I772 P812 F814 A825 I826 Q827 H831 F832 N833 W1060	F770-V829 HydrophobicContact CD1-CG1 3.6Å; F770-V829 HydrophobicContact CE1-CB 4.47Å; F770-V829 HydrophobicContact CE1-CG1 3.5Å; F770-V829 VanDerWaalsContact CE1-CG1 3.5Å; F770-V829 HydrophobicContact CE1-CG2 4.11Å; I772-V829 HydrophobicContact CD1-CG1 4.48Å; P812-V829 HydrophobicContact CB-CB 4.09Å; P812-V829 HydrophobicContact CB-CG1 3.91Å; P812-V829 HydrophobicContact CG-CB 3.72Å; P812-V829 HydrophobicContact CG-CG1 3.49Å; P812-V829 VanDerWaalsContact CG-CG1 3.49Å; F814-V829 HydrophobicContact CE2-CG2 4Å; A825-V829 WeakPolarHBondContact O-CG2 3.46Å; A825-V829 PolarHBondContact O-N 3.48Å; A825-V829 VanDerWaalsContact O-N 3.13Å; I826-V829 PolarHBondContact O-N 3.07Å; Q827-V829 PolarHBondContact O-N 2.88Å; V829-H831 VanDerWaalsContact C-N 3.27Å; V829-H831 PolarHBondContact O-N 3.28Å; V829-F832 PolarHBondContact O-N 2.84Å; V829-N833 PolarHBondContact O-N 3.06Å; V829-W1060 HydrophobicContact CG2-CE3 4.28Å
830	M	95.4	Very high	90.1	Very high	5 Å²	5	22 Å²	22	3%	0.025	13%	0.134	C	C	.	.	H	α-helix	trans	-58.7	-39.8	175.8	-75.5	172.3	54.8	0	0	111.9	L811 P812 I826 Q827 F832 N833 Y834 F1038 L1044	L811-M830 HydrophobicContact CD2-SD 4.12Å; P812-M830 HydrophobicContact CG-CG 3.97Å; I826-M830 HydrophobicContact CG2-CG 4.37Å; I826-M830 HydrophobicContact CG2-SD 3.67Å; I826-M830 WeakPolarHBondContact O-CB 3.37Å; I826-M830 VanDerWaalsContact O-CG 3.22Å; I826-M830 WeakPolarHBondContact O-CG 3.48Å; I826-M830 PolarHBondContact O-N 3.34Å; Q827-M830 WeakPolarHBondContact O-CB 3.45Å; Q827-M830 PolarHBondContact O-N 3.19Å; M830-F832 VanDerWaalsContact C-N 3.32Å; M830-F832 PolarHBondContact O-N 3.39Å; M830-N833 PolarHBondContact O-N 2.78Å; M830-Y834 HydrophobicContact CB-CD2 4.31Å; M830-Y834 HydrophobicContact CB-CE2 4.23Å; M830-Y834 HydrophobicContact CE-CE2 3.82Å; M830-Y834 WeakPolarHBondContact O-CB 3.26Å; M830-Y834 WeakPolarHBondContact O-CD2 3.23Å; M830-Y834 PolarHBondContact O-N 2.87Å; M830-F1038 HydrophobicContact CE-CD1 3.46Å; M830-F1038 VanDerWaalsContact CE-CD1 3.46Å; M830-F1038 HydrophobicContact CE-CE1 3.49Å; M830-F1038 VanDerWaalsContact CE-CE1 3.49Å; M830-L1044 HydrophobicContact CB-CD1 4Å; M830-L1044 HydrophobicContact CE-CD1 4.25Å; M830-L1044 HydrophobicContact CE-CD2 4.48Å
831	H	95.8	Very high	91.1	Very high	55 Å²	55	23.3 Å²	23.3	26%	0.255	13%	0.134	S	C	.	.	H	α-helix	trans	-51.9	-52.1	174.6	175.7	83	0	0	0	111	Q827 A828 V829 Y834 R835 L1044 M1045	Q827-H831 PolarHBondContact O-N 3.12Å; A828-H831 WeakPolarHBondContact O-CB 3.47Å; A828-H831 PolarHBondContact O-N 3.35Å; V829-H831 VanDerWaalsContact C-N 3.27Å; V829-H831 PolarHBondContact O-N 3.28Å; H831-Y834 PolarHBondContact O-N 2.47Å; H831-R835 VanDerWaalsContact O-CB 3.31Å; H831-R835 WeakPolarHBondContact O-CB 3.1Å; H831-R835 PolarHBondContact O-N 2.83Å; H831-L1044 HydrophobicContact CB-CB 3.88Å; H831-M1045 HydrophobicContact CB-SD 4.13Å; H831-M1045 PolarHBondContact CD2-SD 3.16Å
832	F	97.3	Very high	92.9	Very high	5 Å²	5	28 Å²	28	2%	0.022	15%	0.153	C	C	.	.	H	α-helix	trans	-73.2	-33.9	-177	-76.1	-68.7	0	0	0	113.8	I772 V780 A828 V829 M830 R835 T836 M1045 T1057 W1060 T1061	I772-F832 HydrophobicContact CB-CB 4.34Å; I772-F832 HydrophobicContact CD1-CB 3.7Å; I772-F832 HydrophobicContact CG1-CB 3.75Å; I772-F832 HydrophobicContact CG2-CB 3.76Å; I772-F832 HydrophobicContact CG2-CD1 4.42Å; I772-F832 HydrophobicContact CG2-CG 4.32Å; V780-F832 HydrophobicContact CG2-CD1 4.03Å; V780-F832 HydrophobicContact CG2-CE1 4.16Å; A828-F832 VanDerWaalsContact O-CD2 3.3Å; A828-F832 WeakPolarHBondContact O-CD2 3.19Å; A828-F832 PolarHBondContact O-N 3.48Å; V829-F832 PolarHBondContact O-N 2.84Å; M830-F832 VanDerWaalsContact C-N 3.32Å; M830-F832 PolarHBondContact O-N 3.39Å; F832-R835 PolarHBondContact O-N 3Å; F832-T836 PolarHBondContact O-N 3.46Å; F832-T836 VanDerWaalsContact O-N 3.12Å; F832-T836 PolarHBondContact O-OG1 3.14Å; F832-M1045 HydrophobicContact CE2-CE 4.44Å; F832-M1045 HydrophobicContact CE2-SD 4.05Å; F832-M1045 HydrophobicContact CZ-SD 4.37Å; F832-T1057 HydrophobicContact CE2-CG2 3.92Å; F832-T1057 HydrophobicContact CZ-CG2 3.46Å; F832-T1057 VanDerWaalsContact CZ-CG2 3.46Å; F832-W1060 HydrophobicContact CD2-CB 4.14Å; F832-W1060 HydrophobicContact CE2-CB 4.11Å; F832-T1061 HydrophobicContact CD1-CG2 3.8Å; F832-T1061 HydrophobicContact CD2-CG2 3.97Å; F832-T1061 HydrophobicContact CE1-CG2 3.54Å; F832-T1061 HydrophobicContact CE2-CG2 3.73Å; F832-T1061 HydrophobicContact CG-CG2 4.03Å; F832-T1061 HydrophobicContact CZ-CG2 3.52Å
833	N	97.7	Very high	93.9	Very high	7 Å²	7	27.6 Å²	27.6	4%	0.037	15%	0.149	C	C	.	.	H	α-helix	trans	-60.7	-50.8	170.6	-81	-23.4	0	0	0	110.4	F771 I772 V829 M830 R835 T836 M837	F771-N833 PolarHBondContact N-OD1 2.82Å; F771-N833 PolarHBondContact O-OD1 2.77Å; I772-N833 WeakPolarHBondContact CG1-OD1 3.44Å; V829-N833 PolarHBondContact O-N 3.06Å; M830-N833 PolarHBondContact O-N 2.78Å; N833-R835 PolarHBondContact O-N 2.81Å; N833-T836 WeakPolarHBondContact O-CB 3.49Å; N833-T836 PolarHBondContact O-N 3.17Å; N833-T836 VanDerWaalsContact O-N 3.14Å; N833-M837 WeakPolarHBondContact O-CG 3.48Å; N833-M837 PolarHBondContact O-N 3.08Å
834	Y	98.4	Very high	94.8	Very high	3 Å²	3	26.5 Å²	26.5	1%	0.012	14%	0.137	C	C	.	.	H	α-helix	trans	-67	-34.9	178.5	-73.2	-56.2	0	0	0	113.1	M830 H831 T836 M837 I838 R839 F1034 P1035 L1044	M830-Y834 HydrophobicContact CB-CD2 4.31Å; M830-Y834 HydrophobicContact CB-CE2 4.23Å; M830-Y834 HydrophobicContact CE-CE2 3.82Å; M830-Y834 WeakPolarHBondContact O-CB 3.26Å; M830-Y834 WeakPolarHBondContact O-CD2 3.23Å; M830-Y834 PolarHBondContact O-N 2.87Å; H831-Y834 PolarHBondContact O-N 2.47Å; Y834-T836 PolarHBondContact O-N 2.89Å; Y834-M837 PolarHBondContact O-N 3.31Å; Y834-I838 HydrophobicContact CD1-CG2 4.49Å; Y834-I838 PolarHBondContact O-N 3.31Å; Y834-R839 VanDerWaalsContact CD2-CZ 3.44Å; Y834-R839 PolarHBondContact O-N 3.45Å; Y834-F1034 HydrophobicContact CE1-CD1 4.31Å; Y834-F1034 AromaticContact CE1-CE1 3.69Å; Y834-F1034 HydrophobicContact CE1-CE1 3.69Å; Y834-P1035 PolarHBondContact OH-O 2.9Å; Y834-P1035 VanDerWaalsContact OH-O 3.13Å; Y834-L1044 HydrophobicContact CD2-CD1 4.01Å; Y834-L1044 HydrophobicContact CE2-CD1 4.36Å
835	R	97.8	Very high	95.5	Very high	25 Å²	25	24 Å²	24	9%	0.094	12%	0.124	C	C	.	.	H	α-helix	trans	-56	-37.7	172.3	-178.3	-168.9	170.7	-75.1	-0.6	111.5	S773 C774 D776 H831 F832 N833 R839 S843	S773-R835 PolarHBondContact O-NH1 3.44Å; S773-R835 VanDerWaalsContact O-NH1 3.11Å; C774-R835 PolarHBondContact O-NH1 3.18Å; C774-R835 PolarHBondContact O-NH2 3.36Å; D776-R835 IonicContact OD1-NH2 3.47Å; D776-R835 IonicContact OD2-CZ 2.76Å; D776-R835 IonicContact OD2-NE 3.81Å; D776-R835 IonicContact OD2-NH2 3.27Å; D776-R835 PolarHBondContact OD2-NH2 2.72Å; H831-R835 VanDerWaalsContact O-CB 3.31Å; H831-R835 WeakPolarHBondContact O-CB 3.1Å; H831-R835 PolarHBondContact O-N 2.83Å; F832-R835 PolarHBondContact O-N 3Å; N833-R835 PolarHBondContact O-N 2.81Å; R835-R839 WeakPolarHBondContact CA-O 3.44Å; R835-S843 WeakPolarHBondContact O-CA 3.41Å; R835-S843 WeakPolarHBondContact O-CB 3.33Å
836	T	98.7	Very high	96.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-75	-45.2	177.9	-52.1	0	0	0	0	111.1	F771 I772 S773 F832 N833 Y834 S843 I844	F771-T836 HydrophobicContact CD1-CG2 3.85Å; F771-T836 HydrophobicContact CE1-CG2 3.88Å; F771-T836 WeakPolarHBondContact O-CB 3.24Å; F771-T836 WeakPolarHBondContact O-CG2 3.14Å; F771-T836 PolarHBondContact O-OG1 3.49Å; I772-T836 WeakPolarHBondContact CA-OG1 3.41Å; S773-T836 PolarHBondContact N-OG1 2.9Å; S773-T836 PolarHBondContact O-OG1 2.9Å; F832-T836 PolarHBondContact O-N 3.46Å; F832-T836 VanDerWaalsContact O-N 3.12Å; F832-T836 PolarHBondContact O-OG1 3.14Å; N833-T836 WeakPolarHBondContact O-CB 3.49Å; N833-T836 PolarHBondContact O-N 3.17Å; N833-T836 VanDerWaalsContact O-N 3.14Å; Y834-T836 PolarHBondContact O-N 2.89Å; T836-S843 WeakPolarHBondContact O-CA 3.16Å; T836-I844 HydrophobicContact CG2-CD1 4.41Å; T836-I844 WeakPolarHBondContact O-CG1 3.24Å; T836-I844 PolarHBondContact O-N 2.96Å
837	M	98.6	Very high	96.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-73.7	-56.3	-174.4	-64	174.3	-174	0	0	113.5	F771 T808 N833 Y834 I845 F862 F1034 L1036	F771-M837 HydrophobicContact CB-CE 4.17Å; F771-M837 HydrophobicContact CD1-CE 4.19Å; F771-M837 HydrophobicContact CD1-CG 4.17Å; T808-M837 HydrophobicContact CG2-CE 3.74Å; N833-M837 WeakPolarHBondContact O-CG 3.48Å; N833-M837 PolarHBondContact O-N 3.08Å; Y834-M837 PolarHBondContact O-N 3.31Å; M837-I845 WeakPolarHBondContact O-CB 3.3Å; M837-I845 WeakPolarHBondContact O-CG1 3.2Å; M837-I845 PolarHBondContact O-N 2.95Å; M837-F862 HydrophobicContact CB-CE1 4.43Å; M837-F862 HydrophobicContact CB-CE2 4.49Å; M837-F862 HydrophobicContact CB-CZ 4.3Å; M837-F862 HydrophobicContact CE-CD1 4.2Å; M837-F862 HydrophobicContact CG-CD1 3.94Å; M837-F862 HydrophobicContact CG-CE1 3.77Å; M837-F862 HydrophobicContact CG-CG 4.46Å; M837-F862 HydrophobicContact CG-CZ 4.13Å; M837-F862 HydrophobicContact SD-CD1 4.12Å; M837-F862 HydrophobicContact SD-CG 4.41Å; M837-F1034 HydrophobicContact CE-CE1 4.4Å; M837-F1034 HydrophobicContact CE-CZ 4.34Å; M837-F1034 HydrophobicContact SD-CD1 4.12Å; M837-F1034 HydrophobicContact SD-CE1 4.04Å; M837-L1036 HydrophobicContact CB-CD2 4.14Å; M837-L1036 HydrophobicContact SD-CD2 4.07Å
838	I	98.2	Very high	97	Very high	38 Å²	38	26.5 Å²	26.5	20%	0.195	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-144.2	-21.9	-166.1	-164.5	162.5	0	0	0	116.4	Y834 S843 I845 S846 L1036	Y834-I838 HydrophobicContact CD1-CG2 4.49Å; Y834-I838 PolarHBondContact O-N 3.31Å; I838-S843 VanDerWaalsContact C-CB 3.41Å; I838-S843 PolarHBondContact O-OG 2.68Å; I838-S843 VanDerWaalsContact O-OG 3.09Å; I838-I845 HydrophobicContact CB-CB 4.4Å; I838-I845 HydrophobicContact CB-CD1 4.08Å; I838-I845 HydrophobicContact CD1-CD1 3.95Å; I838-I845 HydrophobicContact CD1-CG2 4.24Å; I838-I845 HydrophobicContact CG1-CB 4.12Å; I838-I845 HydrophobicContact CG1-CD1 4.13Å; I838-I845 HydrophobicContact CG1-CG2 4.09Å; I838-S846 PolarHBondContact O-OG 3.45Å; I838-L1036 HydrophobicContact CD1-CB 4.1Å; I838-L1036 HydrophobicContact CD1-CD1 4.02Å; I838-L1036 HydrophobicContact CG2-CB 4.28Å; I838-L1036 HydrophobicContact CG2-CD2 4.38Å
839	R	96.7	Very high	97.3	Very high	53 Å²	53	30.7 Å²	30.7	20%	0.2	15%	0.154	C	C	.	.	S	Bend	trans	-94.6	122.9	-171.8	-62	-175.1	-164.1	179.4	4.5	112	Y834 R835 F1038 L1039	Y834-R839 VanDerWaalsContact CD2-CZ 3.44Å; Y834-R839 PolarHBondContact O-N 3.45Å; R835-R839 WeakPolarHBondContact CA-O 3.44Å; R839-F1038 PolarHBondContact NH2-O 3.39Å; R839-L1039 PolarHBondContact NH1-O 2.8Å
840	G	94.9	Very high	97.5	Very high	52 Å²	52	36.6 Å²	36.6	54%	0.536	18%	0.179	S	C	.	.	S	Bend	trans	87.3	166.8	177	0	0	0	0	0	113.4	Y842 S843 S846	G840-Y842 VanDerWaalsContact C-N 3.27Å; G840-Y842 PolarHBondContact O-N 2.86Å; G840-S843 WeakPolarHBondContact O-CB 3.44Å; G840-S843 PolarHBondContact O-N 3.17Å; G840-S843 VanDerWaalsContact O-N 3.14Å; G840-S843 PolarHBondContact O-OG 2.98Å; G840-S846 WeakPolarHBondContact O-CB 3.4Å; G840-S846 PolarHBondContact O-OG 2.84Å
841	E	95.3	Very high	97.6	Very high	118 Å²	118	40.8 Å²	40.8	55%	0.551	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	-24.9	-167.8	67.6	-177.4	158.2	0	0	114.3	Q847	E841-Q847 PolarHBondContact O-NE2 3.28Å
842	Y	96.4	Very high	97.7	Very high	98 Å²	98	38.6 Å²	38.6	38%	0.384	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-9.3	178.9	-60.7	-84.8	0	0	0	113.3	C774 D776 G840	C774-Y842 WeakPolarHBondContact CB-O 3.24Å; C774-Y842 PolarHBondContact SG-O 2.57Å; D776-Y842 HydrophobicContact CB-CD1 4.49Å; D776-Y842 HydrophobicContact CB-CD2 4.42Å; D776-Y842 HydrophobicContact CB-CE1 4.3Å; D776-Y842 HydrophobicContact CB-CE2 4.25Å; G840-Y842 VanDerWaalsContact C-N 3.27Å; G840-Y842 PolarHBondContact O-N 2.86Å
843	S	98.4	Very high	97.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.216	C	C	.	.	S	Bend	trans	-65.6	149.8	-176.9	65	0	0	0	0	112.3	R835 T836 I838 G840 I845 S846 Q847	R835-S843 WeakPolarHBondContact O-CA 3.41Å; R835-S843 WeakPolarHBondContact O-CB 3.33Å; T836-S843 WeakPolarHBondContact O-CA 3.16Å; I838-S843 VanDerWaalsContact C-CB 3.41Å; I838-S843 PolarHBondContact O-OG 2.68Å; I838-S843 VanDerWaalsContact O-OG 3.09Å; G840-S843 WeakPolarHBondContact O-CB 3.44Å; G840-S843 PolarHBondContact O-N 3.17Å; G840-S843 VanDerWaalsContact O-N 3.14Å; G840-S843 PolarHBondContact O-OG 2.98Å; S843-I845 PolarHBondContact O-N 2.86Å; S843-S846 PolarHBondContact O-N 3.23Å; S843-S846 WeakPolarHBondContact OG-CB 3.05Å; S843-S846 PolarHBondContact OG-N 3.39Å; S843-S846 PolarHBondContact OG-OG 2.64Å; S843-Q847 WeakPolarHBondContact O-CG 3.28Å; S843-Q847 PolarHBondContact O-N 3.49Å
844	I	98.8	Very high	97.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-55.6	-53.2	-178.9	-63.8	174.6	0	0	0	110.4	F771 I788 I789 T836 S846 Q847 L848 I860 F862	F771-I844 HydrophobicContact CE1-CD1 3.68Å; F771-I844 HydrophobicContact CZ-CD1 3.99Å; I788-I844 HydrophobicContact CG2-CD1 4.41Å; I789-I844 HydrophobicContact CD1-CB 4.38Å; I789-I844 HydrophobicContact CD1-CG1 3.98Å; I789-I844 HydrophobicContact CG1-CB 4.1Å; I789-I844 HydrophobicContact CG1-CG1 3.91Å; I789-I844 HydrophobicContact CG1-CG2 3.97Å; T836-I844 HydrophobicContact CG2-CD1 4.41Å; T836-I844 WeakPolarHBondContact O-CG1 3.24Å; T836-I844 PolarHBondContact O-N 2.96Å; I844-S846 VanDerWaalsContact C-N 3.33Å; I844-S846 PolarHBondContact O-N 3.28Å; I844-Q847 PolarHBondContact O-N 3.49Å; I844-L848 HydrophobicContact CG2-CD1 3.77Å; I844-L848 HydrophobicContact CG2-CG 4.21Å; I844-L848 VanDerWaalsContact O-CG 3.28Å; I844-L848 WeakPolarHBondContact O-CG 3.3Å; I844-L848 PolarHBondContact O-N 3.39Å; I844-I860 HydrophobicContact CG2-CD1 4.07Å; I844-F862 HydrophobicContact CD1-CZ 4.31Å
845	I	98.6	Very high	97.4	Very high	1 Å²	1	52 Å²	52	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-63.3	-40.1	-177.8	-68.7	171.7	0	0	0	111.2	M837 I838 S843 Q847 L848 K849 W856 F862 L1036	M837-I845 WeakPolarHBondContact O-CB 3.3Å; M837-I845 WeakPolarHBondContact O-CG1 3.2Å; M837-I845 PolarHBondContact O-N 2.95Å; I838-I845 HydrophobicContact CB-CB 4.4Å; I838-I845 HydrophobicContact CB-CD1 4.08Å; I838-I845 HydrophobicContact CD1-CD1 3.95Å; I838-I845 HydrophobicContact CD1-CG2 4.24Å; I838-I845 HydrophobicContact CG1-CB 4.12Å; I838-I845 HydrophobicContact CG1-CD1 4.13Å; I838-I845 HydrophobicContact CG1-CG2 4.09Å; S843-I845 PolarHBondContact O-N 2.86Å; I845-Q847 VanDerWaalsContact C-N 3.34Å; I845-Q847 PolarHBondContact O-N 3.4Å; I845-L848 PolarHBondContact O-N 2.93Å; I845-K849 HydrophobicContact CG2-CD 4.03Å; I845-K849 HydrophobicContact CG2-CG 4.2Å; I845-K849 WeakPolarHBondContact O-CB 3.37Å; I845-K849 WeakPolarHBondContact O-CG 3.45Å; I845-K849 PolarHBondContact O-N 3.43Å; I845-W856 HydrophobicContact CD1-CE3 4.25Å; I845-W856 HydrophobicContact CD1-CH2 3.71Å; I845-W856 HydrophobicContact CD1-CZ2 4.29Å; I845-W856 HydrophobicContact CD1-CZ3 3.7Å; I845-W856 HydrophobicContact CG1-CD2 4.33Å; I845-W856 HydrophobicContact CG1-CE3 3.96Å; I845-W856 HydrophobicContact CG1-CH2 4.28Å; I845-W856 HydrophobicContact CG1-CZ3 3.94Å; I845-W856 HydrophobicContact CG2-CD2 4.16Å; I845-W856 HydrophobicContact CG2-CZ2 4.14Å; I845-F862 HydrophobicContact CD1-CD2 4.26Å; I845-F862 HydrophobicContact CD1-CE2 3.91Å; I845-F862 HydrophobicContact CG1-CE2 4.15Å; I845-L1036 HydrophobicContact CD1-CD1 3.74Å
846	S	98	Very high	97.4	Very high	34 Å²	34	52.2 Å²	52.2	24%	0.238	26%	0.259	C	S	.	.	H	α-helix	trans	-65.4	-37.2	178.3	-65.9	0	0	0	0	112.5	I838 G840 S843 I844 K850	I838-S846 PolarHBondContact O-OG 3.45Å; G840-S846 WeakPolarHBondContact O-CB 3.4Å; G840-S846 PolarHBondContact O-OG 2.84Å; S843-S846 PolarHBondContact O-N 3.23Å; S843-S846 WeakPolarHBondContact OG-CB 3.05Å; S843-S846 PolarHBondContact OG-N 3.39Å; S843-S846 PolarHBondContact OG-OG 2.64Å; I844-S846 VanDerWaalsContact C-N 3.33Å; I844-S846 PolarHBondContact O-N 3.28Å; S846-K850 WeakPolarHBondContact O-CG 3.19Å; S846-K850 PolarHBondContact O-N 2.79Å
847	Q	98.5	Very high	97.3	Very high	60 Å²	60	56.2 Å²	56.2	28%	0.28	28%	0.278	S	S	.	.	H	α-helix	trans	-70.9	-42.1	176.3	-71.1	-70.3	-36.8	0	0	111.8	I789 E841 S843 I844 I845 K850	I789-Q847 HydrophobicContact CD1-CB 4.04Å; I789-Q847 HydrophobicContact CD1-CG 4.14Å; I789-Q847 HydrophobicContact CG1-CB 4.37Å; I789-Q847 HydrophobicContact CG2-CB 3.9Å; E841-Q847 PolarHBondContact O-NE2 3.28Å; S843-Q847 WeakPolarHBondContact O-CG 3.28Å; S843-Q847 PolarHBondContact O-N 3.49Å; I844-Q847 PolarHBondContact O-N 3.49Å; I845-Q847 VanDerWaalsContact C-N 3.34Å; I845-Q847 PolarHBondContact O-N 3.4Å; Q847-K850 PolarHBondContact O-N 2.75Å
848	L	98.6	Very high	97.3	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-64.9	-44.8	176.4	-64.9	179.8	0	0	0	111.7	I789 I792 I793 I844 I845 K850 E851 M852 W856 I860	I789-L848 HydrophobicContact CG2-CD2 4.45Å; I792-L848 HydrophobicContact CB-CD2 3.92Å; I792-L848 HydrophobicContact CD1-CD1 3.94Å; I792-L848 HydrophobicContact CG2-CD1 4.08Å; I792-L848 HydrophobicContact CG2-CD2 3.57Å; I792-L848 HydrophobicContact CG2-CG 4.48Å; I793-L848 HydrophobicContact CG1-CD2 3.93Å; I844-L848 HydrophobicContact CG2-CD1 3.77Å; I844-L848 HydrophobicContact CG2-CG 4.21Å; I844-L848 VanDerWaalsContact O-CG 3.28Å; I844-L848 WeakPolarHBondContact O-CG 3.3Å; I844-L848 PolarHBondContact O-N 3.39Å; I845-L848 PolarHBondContact O-N 2.93Å; L848-K850 PolarHBondContact O-N 3.04Å; L848-E851 PolarHBondContact O-N 2.84Å; L848-M852 HydrophobicContact CB-SD 4.44Å; L848-M852 HydrophobicContact CD2-CE 3.89Å; L848-M852 WeakPolarHBondContact O-CG 2.98Å; L848-M852 PolarHBondContact O-N 3.07Å; L848-W856 HydrophobicContact CB-CB 3.72Å; L848-W856 HydrophobicContact CD1-CB 4.11Å; L848-I860 HydrophobicContact CD1-CG2 3.95Å
849	K	98	Very high	97.3	Very high	88 Å²	88	58.2 Å²	58.2	38%	0.383	29%	0.288	S	S	.	.	H	α-helix	trans	-56.1	-34.2	177.6	-80.6	-174.6	172	-164	0	113.2	I845 E851 D853 D854 W856	I845-K849 HydrophobicContact CG2-CD 4.03Å; I845-K849 HydrophobicContact CG2-CG 4.2Å; I845-K849 WeakPolarHBondContact O-CB 3.37Å; I845-K849 WeakPolarHBondContact O-CG 3.45Å; I845-K849 PolarHBondContact O-N 3.43Å; K849-E851 VanDerWaalsContact C-N 3.27Å; K849-E851 PolarHBondContact O-N 2.93Å; K849-D853 VanDerWaalsContact O-CA 3.23Å; K849-D853 WeakPolarHBondContact O-CA 3.42Å; K849-D853 PolarHBondContact O-N 2.83Å; K849-D854 IonicContact NZ-OD1 3.06Å; K849-W856 HydrophobicContact CG-CG 4.41Å
850	K	97.3	Very high	97.4	Very high	126 Å²	126	55.7 Å²	55.7	55%	0.548	28%	0.278	S	S	.	.	H	α-helix	trans	-63.6	-32.3	175.7	-70.2	168.9	-173.4	175.2	0	112.8	S846 Q847 L848	S846-K850 WeakPolarHBondContact O-CG 3.19Å; S846-K850 PolarHBondContact O-N 2.79Å; Q847-K850 PolarHBondContact O-N 2.75Å; L848-K850 PolarHBondContact O-N 3.04Å
851	E	97.7	Very high	97.6	Very high	93 Å²	93	53.6 Å²	53.6	44%	0.435	26%	0.255	S	S	.	.	H	α-helix	trans	-97.4	-28.9	-175	-66	-77.9	137	0	0	113.4	I793 K797 L848 K849	I793-E851 HydrophobicContact CD1-CG 3.84Å; I793-E851 HydrophobicContact CG1-CB 4.29Å; I793-E851 HydrophobicContact CG1-CG 4.1Å; K797-E851 WeakPolarHBondContact CE-OE2 3.35Å; K797-E851 IonicContact NZ-OE2 3.94Å; K797-E851 PolarHBondContact NZ-OE2 3.29Å; L848-E851 PolarHBondContact O-N 2.84Å; K849-E851 VanDerWaalsContact C-N 3.27Å; K849-E851 PolarHBondContact O-N 2.93Å
852	M	97.1	Very high	97.8	Very high	10 Å²	10	48.5 Å²	48.5	5%	0.049	23%	0.231	C	C	.	.	H	α-helix	trans	-139.1	11.4	-172	70.5	-168.7	65	0	0	115.1	I792 I793 H796 L848 Q855 W856 Y859	I792-M852 HydrophobicContact CG2-CE 3.93Å; I792-M852 HydrophobicContact CG2-SD 4.33Å; I793-M852 HydrophobicContact CG1-CE 4.32Å; H796-M852 HydrophobicContact CB-CE 3.67Å; H796-M852 HydrophobicContact CB-SD 4.48Å; H796-M852 WeakPolarHBondContact NE2-CB 3.26Å; L848-M852 HydrophobicContact CB-SD 4.44Å; L848-M852 HydrophobicContact CD2-CE 3.89Å; L848-M852 WeakPolarHBondContact O-CG 2.98Å; L848-M852 PolarHBondContact O-N 3.07Å; M852-Q855 HydrophobicContact CB-CB 4.24Å; M852-Q855 HydrophobicContact CG-CB 4.3Å; M852-Q855 VanDerWaalsContact O-CB 3.25Å; M852-Q855 WeakPolarHBondContact O-CB 3.42Å; M852-Q855 WeakPolarHBondContact O-CG 3.37Å; M852-Q855 PolarHBondContact O-N 3.15Å; M852-Q855 VanDerWaalsContact O-N 3.1Å; M852-W856 HydrophobicContact CG-CB 4.24Å; M852-W856 HydrophobicContact SD-CB 4.16Å; M852-Y859 HydrophobicContact SD-CD2 3.55Å; M852-Y859 VanDerWaalsContact SD-CD2 3.55Å; M852-Y859 HydrophobicContact SD-CE2 3.63Å; M852-Y859 HydrophobicContact SD-CG 4.49Å
853	D	95.7	Very high	97.9	Very high	111 Å²	111	43.8 Å²	43.8	59%	0.594	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	48.8	-142.1	-175.3	-159.6	5.1	0	0	0	110.8	K849 Q855 W856	K849-D853 VanDerWaalsContact O-CA 3.23Å; K849-D853 WeakPolarHBondContact O-CA 3.42Å; K849-D853 PolarHBondContact O-N 2.83Å; D853-Q855 PolarHBondContact O-N 2.93Å; D853-W856 VanDerWaalsContact O-CD1 3.22Å
854	D	95.6	Very high	97.9	Very high	84 Å²	84	43.8 Å²	43.8	45%	0.449	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-66.3	-2.4	179.5	-80.6	-28.2	0	0	0	115.7	K849 W856 M857	K849-D854 IonicContact NZ-OD1 3.06Å; D854-W856 PolarHBondContact O-N 2.76Å; D854-W856 VanDerWaalsContact O-N 3.15Å; D854-M857 HydrophobicContact CB-CE 3.61Å; D854-M857 WeakPolarHBondContact O-CE 3.47Å; D854-M857 PolarHBondContact O-N 2.85Å
855	Q	96.8	Very high	97.9	Very high	102 Å²	102	43.8 Å²	43.8	48%	0.477	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-68	-12	175.4	-58.2	-168.4	-3.8	0	0	113.5	H796 M852 D853 M857 N858 Y859	H796-Q855 PolarHBondContact CE1-OE1 2.79Å; H796-Q855 VanDerWaalsContact CE1-OE1 3.31Å; M852-Q855 HydrophobicContact CB-CB 4.24Å; M852-Q855 HydrophobicContact CG-CB 4.3Å; M852-Q855 VanDerWaalsContact O-CB 3.25Å; M852-Q855 WeakPolarHBondContact O-CB 3.42Å; M852-Q855 WeakPolarHBondContact O-CG 3.37Å; M852-Q855 PolarHBondContact O-N 3.15Å; M852-Q855 VanDerWaalsContact O-N 3.1Å; D853-Q855 PolarHBondContact O-N 2.93Å; Q855-M857 PolarHBondContact O-N 2.73Å; Q855-M857 VanDerWaalsContact O-N 3.11Å; Q855-N858 WeakPolarHBondContact O-CB 3.47Å; Q855-N858 PolarHBondContact O-N 2.93Å; Q855-N858 PolarHBondContact O-ND2 3.17Å; Q855-Y859 VanDerWaalsContact O-CD2 3.31Å; Q855-Y859 WeakPolarHBondContact O-CD2 3.33Å; Q855-Y859 WeakPolarHBondContact O-CE2 3.36Å
856	W	97.8	Very high	97.9	Very high	29 Å²	29	44.3 Å²	44.3	11%	0.11	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-52.9	-31.6	175.7	70.9	-95	0	0	0	112.7	I845 L848 K849 M852 D853 D854 N858 Y859 I860	I845-W856 HydrophobicContact CD1-CE3 4.25Å; I845-W856 HydrophobicContact CD1-CH2 3.71Å; I845-W856 HydrophobicContact CD1-CZ2 4.29Å; I845-W856 HydrophobicContact CD1-CZ3 3.7Å; I845-W856 HydrophobicContact CG1-CD2 4.33Å; I845-W856 HydrophobicContact CG1-CE3 3.96Å; I845-W856 HydrophobicContact CG1-CH2 4.28Å; I845-W856 HydrophobicContact CG1-CZ3 3.94Å; I845-W856 HydrophobicContact CG2-CD2 4.16Å; I845-W856 HydrophobicContact CG2-CZ2 4.14Å; L848-W856 HydrophobicContact CB-CB 3.72Å; L848-W856 HydrophobicContact CD1-CB 4.11Å; K849-W856 HydrophobicContact CG-CG 4.41Å; M852-W856 HydrophobicContact CG-CB 4.24Å; M852-W856 HydrophobicContact SD-CB 4.16Å; D853-W856 VanDerWaalsContact O-CD1 3.22Å; D854-W856 PolarHBondContact O-N 2.76Å; D854-W856 VanDerWaalsContact O-N 3.15Å; W856-N858 PolarHBondContact O-N 3.25Å; W856-N858 VanDerWaalsContact O-N 3.14Å; W856-Y859 PolarHBondContact O-N 3.12Å; W856-I860 HydrophobicContact CE3-CG2 3.9Å; W856-I860 HydrophobicContact CZ3-CG2 4.39Å; W856-I860 PolarHBondContact O-N 3.3Å
857	M	96.9	Very high	97.9	Very high	83 Å²	83	43.3 Å²	43.3	41%	0.409	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-61.7	-21.5	179.1	-66.7	-178	-107.5	0	0	112.9	D854 Q855 Y859 Y970	D854-M857 HydrophobicContact CB-CE 3.61Å; D854-M857 WeakPolarHBondContact O-CE 3.47Å; D854-M857 PolarHBondContact O-N 2.85Å; Q855-M857 PolarHBondContact O-N 2.73Å; Q855-M857 VanDerWaalsContact O-N 3.11Å; M857-Y859 VanDerWaalsContact C-N 3.31Å; M857-Y970 VanDerWaalsContact O-CE1 3.31Å; M857-Y970 WeakPolarHBondContact O-CE1 3Å; M857-Y970 PolarHBondContact O-OH 3.43Å
858	N	97.8	Very high	97.9	Very high	54 Å²	54	43.1 Å²	43.1	29%	0.289	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-76.1	-18.9	173.4	-63.4	-53.6	0	0	0	112.3	R803 Q855 W856	R803-N858 WeakPolarHBondContact CD-O 3.33Å; R803-N858 PolarHBondContact NH1-O 3.26Å; Q855-N858 WeakPolarHBondContact O-CB 3.47Å; Q855-N858 PolarHBondContact O-N 2.93Å; Q855-N858 PolarHBondContact O-ND2 3.17Å; W856-N858 PolarHBondContact O-N 3.25Å; W856-N858 VanDerWaalsContact O-N 3.14Å
859	Y	98.7	Very high	97.8	Very high	26 Å²	26	44.2 Å²	44.2	10%	0.102	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-28.2	-170.9	-61.2	-87.5	0	0	0	113.8	I792 A795 H796 Y802 R803 V804 M852 Q855 W856 M857	I792-Y859 VanDerWaalsContact CG2-CB 3.46Å; I792-Y859 HydrophobicContact CG2-CD1 4.04Å; I792-Y859 HydrophobicContact CG2-CD2 4.23Å; I792-Y859 HydrophobicContact CG2-CG 3.66Å; A795-Y859 HydrophobicContact CB-CE1 4.33Å; H796-Y859 HydrophobicContact CB-CE1 4.34Å; H796-Y859 HydrophobicContact CB-CE2 4.41Å; H796-Y859 AromaticContact ND1-CZ 3.83Å; H796-Y859 PolarHBondContact ND1-OH 3.13Å; H796-Y859 VanDerWaalsContact ND1-OH 3.13Å; Y802-Y859 WeakPolarHBondContact O-CD1 3.31Å; R803-Y859 CarbonylContact C-O 3.59Å; R803-Y859 WeakPolarHBondContact CA-O 3.38Å; V804-Y859 PolarHBondContact N-O 3.15Å; M852-Y859 HydrophobicContact SD-CD2 3.55Å; M852-Y859 VanDerWaalsContact SD-CD2 3.55Å; M852-Y859 HydrophobicContact SD-CE2 3.63Å; M852-Y859 HydrophobicContact SD-CG 4.49Å; Q855-Y859 VanDerWaalsContact O-CD2 3.31Å; Q855-Y859 WeakPolarHBondContact O-CD2 3.33Å; Q855-Y859 WeakPolarHBondContact O-CE2 3.36Å; W856-Y859 PolarHBondContact O-N 3.12Å; M857-Y859 VanDerWaalsContact C-N 3.31Å
860	I	98.8	Very high	97.7	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	139.1	-175.3	-170.7	164.3	0	0	0	112.6	I788 I792 V804 V806 I844 L848 W856 F862 Y970	I788-I860 HydrophobicContact CG2-CD1 4.08Å; I792-I860 HydrophobicContact CD1-CB 4Å; I792-I860 HydrophobicContact CD1-CD1 4.28Å; I792-I860 HydrophobicContact CD1-CG2 4.42Å; V804-I860 HydrophobicContact CB-CB 4.19Å; V804-I860 HydrophobicContact CB-CD1 4.18Å; V804-I860 HydrophobicContact CB-CG1 3.93Å; V804-I860 HydrophobicContact CG1-CD1 3.95Å; V804-I860 HydrophobicContact CG1-CG1 4.07Å; V804-I860 CarbonylContact O-C 3.57Å; V804-I860 VanDerWaalsContact O-CA 3.28Å; V804-I860 WeakPolarHBondContact O-CA 3.34Å; V806-I860 HydrophobicContact CG2-CD1 4.36Å; I844-I860 HydrophobicContact CG2-CD1 4.07Å; L848-I860 HydrophobicContact CD1-CG2 3.95Å; W856-I860 HydrophobicContact CE3-CG2 3.9Å; W856-I860 HydrophobicContact CZ3-CG2 4.39Å; W856-I860 PolarHBondContact O-N 3.3Å; I860-F862 HydrophobicContact CD1-CE1 4.12Å; I860-F862 HydrophobicContact CD1-CE2 3.96Å; I860-F862 HydrophobicContact CD1-CZ 3.51Å; I860-F862 HydrophobicContact CG1-CE2 4.05Å; I860-F862 HydrophobicContact CG1-CZ 4.04Å; I860-F862 HydrophobicContact CG2-CE2 4.44Å; I860-Y970 PolarHBondContact O-OH 3.27Å
861	S	98.7	Very high	97.5	Very high	8 Å²	8	38.8 Å²	38.8	6%	0.056	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	131.4	174.9	-174.3	0	0	0	0	110.9	V804 V806 W974 M975	V804-S861 PolarHBondContact O-N 2.74Å; V806-S861 PolarHBondContact N-O 3.01Å; S861-W974 PolarHBondContact OG-NE1 2.99Å; S861-M975 PolarHBondContact OG-SD 2.94Å
862	F	98.8	Very high	97.2	Very high	10 Å²	10	40.2 Å²	40.2	4%	0.044	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	127	172.6	-62.2	-80.1	0	0	0	109.6	F771 V806 M837 I844 I845 I860 F1034	F771-F862 HydrophobicContact CD1-CE1 4.12Å; F771-F862 AromaticContact CE1-CE1 3.64Å; F771-F862 HydrophobicContact CE1-CE1 3.64Å; F771-F862 HydrophobicContact CE1-CZ 4.36Å; F771-F862 HydrophobicContact CZ-CE1 4.31Å; V806-F862 HydrophobicContact CB-CD1 3.68Å; V806-F862 HydrophobicContact CB-CE1 3.99Å; V806-F862 HydrophobicContact CG1-CD1 3.89Å; V806-F862 HydrophobicContact CG1-CE1 4.15Å; V806-F862 HydrophobicContact CG2-CD1 4.12Å; V806-F862 HydrophobicContact CG2-CE1 3.92Å; V806-F862 WeakPolarHBondContact O-CA 3.39Å; M837-F862 HydrophobicContact CB-CE1 4.43Å; M837-F862 HydrophobicContact CB-CE2 4.49Å; M837-F862 HydrophobicContact CB-CZ 4.3Å; M837-F862 HydrophobicContact CE-CD1 4.2Å; M837-F862 HydrophobicContact CG-CD1 3.94Å; M837-F862 HydrophobicContact CG-CE1 3.77Å; M837-F862 HydrophobicContact CG-CG 4.46Å; M837-F862 HydrophobicContact CG-CZ 4.13Å; M837-F862 HydrophobicContact SD-CD1 4.12Å; M837-F862 HydrophobicContact SD-CG 4.41Å; I844-F862 HydrophobicContact CD1-CZ 4.31Å; I845-F862 HydrophobicContact CD1-CD2 4.26Å; I845-F862 HydrophobicContact CD1-CE2 3.91Å; I845-F862 HydrophobicContact CG1-CE2 4.15Å; I860-F862 HydrophobicContact CD1-CE1 4.12Å; I860-F862 HydrophobicContact CD1-CE2 3.96Å; I860-F862 HydrophobicContact CD1-CZ 3.51Å; I860-F862 HydrophobicContact CG1-CE2 4.05Å; I860-F862 HydrophobicContact CG1-CZ 4.04Å; I860-F862 HydrophobicContact CG2-CE2 4.44Å; F862-F1034 HydrophobicContact CB-CB 3.9Å; F862-F1034 WeakPolarHBondContact O-CB 3.2Å; F862-F1034 PolarHBondContact O-N 3.01Å
863	A	98.8	Very high	96.8	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	160.1	-178	0	0	0	0	0	112	V806 V807 T808 W974 L1031 V1032	V806-A863 PolarHBondContact O-N 3.32Å; V807-A863 WeakPolarHBondContact CA-O 3.04Å; T808-A863 PolarHBondContact N-O 3.01Å; A863-W974 HydrophobicContact CB-CZ2 4.18Å; A863-L1031 HydrophobicContact CB-CD1 3.46Å; A863-L1031 VanDerWaalsContact CB-CD1 3.46Å; A863-L1031 HydrophobicContact CB-CG 4.08Å; A863-V1032 CarbonylContact C-O 3.45Å; A863-V1032 VanDerWaalsContact CA-O 3.28Å; A863-V1032 WeakPolarHBondContact CA-O 3.2Å; A863-V1032 WeakPolarHBondContact CB-O 3.4Å
864	G	98.7	Very high	96.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	-175.9	165.9	0	0	0	0	0	110.6	T808 V1032	T808-G864 VanDerWaalsContact O-CA 3.31Å; T808-G864 WeakPolarHBondContact O-CA 3.38Å; G864-V1032 PolarHBondContact N-O 3.1Å; G864-V1032 VanDerWaalsContact O-CG2 3.31Å; G864-V1032 WeakPolarHBondContact O-CG2 3.49Å; G864-V1032 PolarHBondContact O-N 3.09Å
865	L	98.9	Very high	96.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	139.2	-179.4	-57.1	-176.8	0	0	0	111.1	H666 V807 I880 V882 I950 F1030 L1031	H666-L865 HydrophobicContact CB-CD1 4.32Å; V807-L865 HydrophobicContact CG1-CD1 4.42Å; V807-L865 HydrophobicContact CG1-CD2 4.1Å; V807-L865 HydrophobicContact CG1-CG 3.98Å; L865-I880 HydrophobicContact CB-CB 3.7Å; L865-I880 HydrophobicContact CB-CD1 4.35Å; L865-I880 HydrophobicContact CB-CG2 4.19Å; L865-I880 HydrophobicContact CD1-CG2 4.12Å; L865-I880 PolarHBondContact O-N 3.18Å; L865-V882 HydrophobicContact CB-CG2 4.33Å; L865-V882 HydrophobicContact CD1-CG2 3.72Å; L865-V882 HydrophobicContact CG-CG2 3.83Å; L865-I950 HydrophobicContact CD1-CG2 4.08Å; L865-I950 HydrophobicContact CD2-CB 3.95Å; L865-I950 HydrophobicContact CD2-CG2 3.8Å; L865-F1030 WeakPolarHBondContact CA-O 3.26Å; L865-F1030 HydrophobicContact CB-CB 4.36Å; L865-F1030 HydrophobicContact CD2-CB 4.19Å; L865-L1031 HydrophobicContact CD2-CD1 4.16Å
866	R	98.8	Very high	96.8	Very high	11 Å²	11	35.4 Å²	35.4	4%	0.042	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	144.2	177.8	178.4	171.1	-71.1	-75.4	0.1	111.4	L810 T877 Y985 L992 F1030 V1032	L810-R866 HydrophobicContact CD1-CB 4.23Å; R866-T877 WeakPolarHBondContact CD-OG1 3.29Å; R866-T877 WeakPolarHBondContact CG-OG1 3.44Å; R866-T877 PolarHBondContact NH1-OG1 3.49Å; R866-T877 VanDerWaalsContact NH1-OG1 3.17Å; R866-Y985 HydrophobicContact CB-CD2 4.2Å; R866-Y985 HydrophobicContact CB-CE2 3.98Å; R866-Y985 HydrophobicContact CG-CD1 4.14Å; R866-Y985 HydrophobicContact CG-CD2 3.94Å; R866-Y985 HydrophobicContact CG-CE1 4.1Å; R866-Y985 HydrophobicContact CG-CE2 3.86Å; R866-Y985 HydrophobicContact CG-CG 4.1Å; R866-Y985 PolarHBondContact O-OH 2.89Å; R866-L992 PolarHBondContact NH2-O 2.84Å; R866-F1030 PolarHBondContact N-O 3.22Å; R866-V1032 HydrophobicContact CB-CG1 4.09Å; R866-V1032 HydrophobicContact CB-CG2 4.24Å
867	T	98.5	Very high	96.8	Very high	14 Å²	14	35.2 Å²	35.2	9%	0.086	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	174.9	175.1	-166.8	0	0	0	0	111.9	L519 P664 T877 E878 I880 Y985	L519-T867 HydrophobicContact CD1-CG2 4.1Å; L519-T867 HydrophobicContact CD2-CG2 3.54Å; L519-T867 HydrophobicContact CG-CG2 3.75Å; P664-T867 HydrophobicContact CG-CG2 4.16Å; T867-T877 WeakPolarHBondContact O-CA 3.13Å; T867-T877 WeakPolarHBondContact O-CB 3.46Å; T867-T877 PolarHBondContact O-OG1 3.18Å; T867-E878 PolarHBondContact N-O 2.95Å; T867-E878 PolarHBondContact O-N 3.48Å; T867-I880 HydrophobicContact CG2-CD1 4.06Å; T867-I880 HydrophobicContact CG2-CG1 3.91Å; T867-Y985 WeakPolarHBondContact CA-OH 3.43Å
868	H	98.3	Very high	96.8	Very high	55 Å²	55	32.8 Å²	32.8	26%	0.255	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	160.1	177	62.4	-79.3	0	0	0	111.5	V876 Y985 F989	H868-V876 CarbonylContact C-O 3.59Å; H868-V876 WeakPolarHBondContact CA-O 3.25Å; H868-V876 WeakPolarHBondContact CB-O 3.31Å; H868-Y985 HydrophobicContact CB-CE1 3.97Å; H868-Y985 AromaticContact ND1-CE1 3.52Å; H868-Y985 AromaticContact ND1-CZ 3.7Å; H868-Y985 PolarHBondContact ND1-OH 2.94Å; H868-F989 HydrophobicContact CB-CE2 3.93Å; H868-F989 HydrophobicContact CB-CZ 3.8Å
869	A	97	Very high	96.8	Very high	24 Å²	24	30.3 Å²	30.3	20%	0.198	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	176.5	176.2	0	0	0	0	0	110.7	L519 T520 V876	L519-A869 HydrophobicContact CB-CB 3.92Å; L519-A869 HydrophobicContact CD1-CB 4.06Å; L519-A869 HydrophobicContact CG-CB 4.24Å; T520-A869 HydrophobicContact CG2-CB 4.32Å; A869-V876 HydrophobicContact CB-CG2 4.36Å; A869-V876 PolarHBondContact N-O 3.46Å; A869-V876 PolarHBondContact O-N 3.45Å
870	E	94.8	Very high	96.8	Very high	96 Å²	96	29 Å²	29	45%	0.449	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	130.4	164.1	-174.6	161.9	-165.2	0	0	109.2	G873 R874 K1017	E870-G873 VanDerWaalsContact OE1-CA 3.31Å; E870-G873 WeakPolarHBondContact OE1-CA 3.49Å; E870-R874 CarbonylContact C-O 3.47Å; E870-R874 WeakPolarHBondContact CA-O 3.34Å; E870-K1017 IonicContact OE1-NZ 2.94Å; E870-K1017 PolarHBondContact OE1-NZ 3.37Å
871	L	93.3	Very high	96.8	Very high	4 Å²	4	29.2 Å²	29.2	2%	0.021	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	114.3	177.8	175.6	59.6	0	0	0	108.9	T520 V522 R657 G873 R874 V876	T520-L871 HydrophobicContact CG2-CB 3.84Å; T520-L871 HydrophobicContact CG2-CD1 3.78Å; T520-L871 HydrophobicContact CG2-CG 4.26Å; V522-L871 HydrophobicContact CG1-CD1 3.96Å; R657-L871 WeakPolarHBondContact O-CD1 3.14Å; L871-G873 VanDerWaalsContact C-N 3.25Å; L871-G873 PolarHBondContact O-N 3.36Å; L871-R874 PolarHBondContact N-O 2.79Å; L871-R874 WeakPolarHBondContact O-CB 3.44Å; L871-R874 PolarHBondContact O-N 2.82Å; L871-V876 HydrophobicContact CB-CG1 4.12Å; L871-V876 HydrophobicContact CB-CG2 3.85Å
872	E	92.2	Very high	96.8	Very high	123 Å²	123	28.9 Å²	28.9	58%	0.575	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.6	47.1	-178.2	-63.5	-62.1	101.5	0	0	112.4	Y658 R874	Y658-E872 HydrophobicContact CD1-CG 4.29Å; Y658-E872 WeakPolarHBondContact O-CG 3.35Å; E872-R874 PolarHBondContact O-N 3.2Å
873	G	89.3	Confident	96.8	Very high	42 Å²	42	28.7 Å²	28.7	43%	0.433	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.2	0.8	-179.8	0	0	0	0	0	115.4	E870 L871 K1017	E870-G873 VanDerWaalsContact OE1-CA 3.31Å; E870-G873 WeakPolarHBondContact OE1-CA 3.49Å; L871-G873 VanDerWaalsContact C-N 3.25Å; L871-G873 PolarHBondContact O-N 3.36Å; G873-K1017 WeakPolarHBondContact O-CE 3.3Å; G873-K1017 PolarHBondContact O-NZ 2.95Å
874	R	93.2	Very high	96.8	Very high	121 Å²	121	28.7 Å²	28.7	46%	0.457	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	135.8	179.1	-60.3	178.6	-64	142.9	10.5	110.4	T659 E870 L871 E872 V876	T659-R874 VanDerWaalsContact CA-NH2 3.35Å; T659-R874 PolarHBondContact O-NH2 2.8Å; E870-R874 CarbonylContact C-O 3.47Å; E870-R874 WeakPolarHBondContact CA-O 3.34Å; L871-R874 PolarHBondContact N-O 2.79Å; L871-R874 WeakPolarHBondContact O-CB 3.44Å; L871-R874 PolarHBondContact O-N 2.82Å; E872-R874 PolarHBondContact O-N 3.2Å; R874-V876 PolarHBondContact O-N 3.05Å
875	L	97	Very high	96.8	Very high	25 Å²	25	28.7 Å²	28.7	13%	0.131	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	125.9	170.6	-64.4	174.5	0	0	0	108.7	F989 A1013 K1017 A1020 Q1021 L1024	L875-F989 HydrophobicContact CB-CE1 3.88Å; L875-F989 HydrophobicContact CB-CZ 4.3Å; L875-A1013 HydrophobicContact CB-CB 4.13Å; L875-A1013 HydrophobicContact CD1-CB 4.4Å; L875-K1017 HydrophobicContact CD1-CG 4.15Å; L875-K1017 HydrophobicContact CG-CG 4.47Å; L875-A1020 HydrophobicContact CD1-CB 3.67Å; L875-Q1021 HydrophobicContact CD1-CG 4.13Å; L875-Q1021 HydrophobicContact CD2-CG 4.26Å; L875-L1024 HydrophobicContact CD1-CD1 4.09Å; L875-L1024 HydrophobicContact CD2-CD1 4.31Å
876	V	96.8	Very high	96.8	Very high	18 Å²	18	28.7 Å²	28.7	11%	0.109	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	150.1	179.4	-63.2	0	0	0	0	110.3	L519 P661 H868 A869 L871 R874	L519-V876 HydrophobicContact CD1-CG2 4.27Å; P661-V876 HydrophobicContact CB-CG2 4.29Å; P661-V876 HydrophobicContact CG-CB 4.38Å; P661-V876 HydrophobicContact CG-CG2 4.47Å; H868-V876 CarbonylContact C-O 3.59Å; H868-V876 WeakPolarHBondContact CA-O 3.25Å; H868-V876 WeakPolarHBondContact CB-O 3.31Å; A869-V876 HydrophobicContact CB-CG2 4.36Å; A869-V876 PolarHBondContact N-O 3.46Å; A869-V876 PolarHBondContact O-N 3.45Å; L871-V876 HydrophobicContact CB-CG1 4.12Å; L871-V876 HydrophobicContact CB-CG2 3.85Å; R874-V876 PolarHBondContact O-N 3.05Å
877	T	97.8	Very high	96.8	Very high	25 Å²	25	28.2 Å²	28.2	15%	0.153	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	147.9	173.1	-178.2	0	0	0	0	109.8	R866 T867 F989 C991	R866-T877 WeakPolarHBondContact CD-OG1 3.29Å; R866-T877 WeakPolarHBondContact CG-OG1 3.44Å; R866-T877 PolarHBondContact NH1-OG1 3.49Å; R866-T877 VanDerWaalsContact NH1-OG1 3.17Å; T867-T877 WeakPolarHBondContact O-CA 3.13Å; T867-T877 WeakPolarHBondContact O-CB 3.46Å; T867-T877 PolarHBondContact O-OG1 3.18Å; T877-F989 HydrophobicContact CG2-CB 3.54Å; T877-F989 HydrophobicContact CG2-CD1 3.65Å; T877-F989 HydrophobicContact CG2-CD2 3.64Å; T877-F989 HydrophobicContact CG2-CE1 4.21Å; T877-F989 HydrophobicContact CG2-CE2 4.17Å; T877-F989 HydrophobicContact CG2-CG 3.32Å; T877-F989 HydrophobicContact CG2-CZ 4.44Å; T877-C991 HydrophobicContact CG2-CB 4.11Å
878	E	97.9	Very high	96.9	Very high	32 Å²	32	27.5 Å²	27.5	15%	0.15	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	152	169.2	-170.7	52.4	-77.1	0	0	109.6	L519 N638 M663 T867	L519-E878 HydrophobicContact CD1-CB 4.38Å; L519-E878 HydrophobicContact CD2-CB 3.8Å; N638-E878 PolarHBondContact ND2-OE2 3.45Å; M663-E878 HydrophobicContact CB-CG 4.15Å; M663-E878 HydrophobicContact CG-CG 3.96Å; T867-E878 PolarHBondContact N-O 2.95Å; T867-E878 PolarHBondContact O-N 3.48Å
879	L	97.7	Very high	96.9	Very high	1 Å²	1	25 Å²	25	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	146.1	168.9	67.8	88.5	0	0	0	109.9	M663 L810 L811 Y881	M663-L879 HydrophobicContact CG-CD1 4.2Å; M663-L879 HydrophobicContact SD-CD1 3.54Å; M663-L879 VanDerWaalsContact SD-CD1 3.54Å; M663-L879 HydrophobicContact SD-CG 4.02Å; L810-L879 HydrophobicContact CB-CB 4.32Å; L810-L879 HydrophobicContact CB-CD2 4.27Å; L810-L879 HydrophobicContact CD1-CB 3.99Å; L811-L879 HydrophobicContact CB-CD2 3.9Å; L811-L879 HydrophobicContact CD1-CD2 4.04Å; L811-L879 HydrophobicContact CG-CD2 4.12Å; L879-Y881 HydrophobicContact CD1-CD2 4.02Å
880	I	98.6	Very high	97	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.124	C	C	.	.			trans	-88.5	122	166.9	-66.6	163.2	0	0	0	106.3	H517 P664 H666 L865 T867 V882 F1030	H517-I880 HydrophobicContact CB-CD1 3.77Å; H517-I880 HydrophobicContact CB-CG1 4.02Å; P664-I880 HydrophobicContact CB-CB 4.24Å; P664-I880 HydrophobicContact CB-CG1 3.84Å; P664-I880 HydrophobicContact CB-CG2 4.1Å; P664-I880 HydrophobicContact CG-CG1 4Å; H666-I880 HydrophobicContact CB-CG2 3.56Å; L865-I880 HydrophobicContact CB-CB 3.7Å; L865-I880 HydrophobicContact CB-CD1 4.35Å; L865-I880 HydrophobicContact CB-CG2 4.19Å; L865-I880 HydrophobicContact CD1-CG2 4.12Å; L865-I880 PolarHBondContact O-N 3.18Å; T867-I880 HydrophobicContact CG2-CD1 4.06Å; T867-I880 HydrophobicContact CG2-CG1 3.91Å; I880-V882 PolarHBondContact O-N 3.22Å; I880-V882 VanDerWaalsContact O-N 3.15Å; I880-F1030 HydrophobicContact CD1-CB 3.73Å; I880-F1030 HydrophobicContact CD1-CD1 3.57Å; I880-F1030 HydrophobicContact CD1-CD2 3.91Å; I880-F1030 HydrophobicContact CD1-CE1 4.13Å; I880-F1030 HydrophobicContact CD1-CE2 4.42Å; I880-F1030 HydrophobicContact CD1-CG 3.44Å; I880-F1030 VanDerWaalsContact CD1-CG 3.44Å
881	Y	98.5	Very high	97.2	Very high	5 Å²	5	19.7 Å²	19.7	2%	0.02	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	105.4	-173.8	-167.5	-114.7	0	0	0	110.5	F639 M663 P664 W665 H666 Q769 P809 G813 L879 H883	F639-Y881 HydrophobicContact CD2-CD1 4.46Å; F639-Y881 HydrophobicContact CE2-CD1 4.48Å; M663-Y881 HydrophobicContact CE-CD2 4.12Å; M663-Y881 HydrophobicContact CE-CG 3.98Å; P664-Y881 VanDerWaalsContact O-CB 3.28Å; P664-Y881 WeakPolarHBondContact O-CB 3.13Å; P664-Y881 PolarHBondContact O-N 3.24Å; W665-Y881 AromaticContact CE3-CD1 3.83Å; W665-Y881 HydrophobicContact CE3-CD1 3.83Å; W665-Y881 HydrophobicContact CH2-CD1 4.15Å; W665-Y881 HydrophobicContact CH2-CE1 4.13Å; W665-Y881 AromaticContact CZ3-CD1 3.58Å; W665-Y881 HydrophobicContact CZ3-CD1 3.58Å; W665-Y881 AromaticContact CZ3-CE1 3.91Å; W665-Y881 HydrophobicContact CZ3-CE1 3.91Å; H666-Y881 PolarHBondContact N-O 3.44Å; Q769-Y881 HydrophobicContact CG-CE1 4.49Å; Q769-Y881 WeakPolarHBondContact CG-OH 3.45Å; Q769-Y881 PolarHBondContact NE2-OH 2.96Å; P809-Y881 HydrophobicContact CB-CD2 3.76Å; P809-Y881 HydrophobicContact CB-CE2 3.73Å; P809-Y881 HydrophobicContact CG-CD2 4.46Å; P809-Y881 HydrophobicContact CG-CE2 3.96Å; G813-Y881 WeakPolarHBondContact CA-OH 3.44Å; G813-Y881 PolarHBondContact N-OH 3.37Å; L879-Y881 HydrophobicContact CD1-CD2 4.02Å; Y881-H883 HydrophobicContact CD1-CB 4.15Å; Y881-H883 HydrophobicContact CE1-CB 4.22Å; Y881-H883 AromaticContact CE1-CD2 3.93Å; Y881-H883 PolarHBondContact O-N 2.93Å; Y881-H883 VanDerWaalsContact O-N 3.1Å
882	V	98.8	Very high	97.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	98.8	174.9	-178.4	0	0	0	0	108.3	E767 Q769 V807 P809 L865 I880	E767-V882 HydrophobicContact CB-CG1 4.37Å; Q769-V882 WeakPolarHBondContact CA-O 3.48Å; V807-V882 HydrophobicContact CG1-CG2 3.99Å; P809-V882 HydrophobicContact CB-CB 4.33Å; L865-V882 HydrophobicContact CB-CG2 4.33Å; L865-V882 HydrophobicContact CD1-CG2 3.72Å; L865-V882 HydrophobicContact CG-CG2 3.83Å; I880-V882 PolarHBondContact O-N 3.22Å; I880-V882 VanDerWaalsContact O-N 3.15Å
883	H	98.8	Very high	97.7	Very high	6 Å²	6	16 Å²	16	3%	0.028	9%	0.087	C	C	.	.			trans	-99.7	-6.5	173.6	-168.1	-99.4	0	0	0	112.8	G504 W665 H666 D667 Q769 Y881 K885	G504-H883 PolarHBondContact O-CE1 2.63Å; G504-H883 PolarHBondContact O-ND1 3Å; W665-H883 HydrophobicContact CD2-CB 4.2Å; W665-H883 VanDerWaalsContact CE2-CB 3.49Å; W665-H883 AromaticContact CE2-CG 3.64Å; W665-H883 AromaticContact CE2-ND1 3.87Å; W665-H883 HydrophobicContact CH2-CB 4.02Å; W665-H883 AromaticContact CH2-CD2 3.46Å; W665-H883 VanDerWaalsContact CH2-CD2 3.46Å; W665-H883 WeakPolarHBondContact CH2-CD2 3.44Å; W665-H883 AromaticContact CH2-CG 3.61Å; W665-H883 AromaticContact CH2-NE2 3.91Å; W665-H883 HydrophobicContact CZ2-CB 3.44Å; W665-H883 VanDerWaalsContact CZ2-CB 3.44Å; W665-H883 AromaticContact CZ2-CD2 3.39Å; W665-H883 WeakPolarHBondContact CZ2-CD2 3.17Å; W665-H883 AromaticContact CZ2-CE1 3.64Å; W665-H883 AromaticContact CZ2-CG 3.05Å; W665-H883 AromaticContact CZ2-ND1 3.24Å; W665-H883 WeakPolarHBondContact CZ2-ND1 3.4Å; W665-H883 AromaticContact CZ2-NE2 3.76Å; H666-H883 PolarHBondContact O-N 3.44Å; D667-H883 HydrophobicContact CB-CB 4.36Å; D667-H883 IonicContact OD1-ND1 3.26Å; D667-H883 IonicContact OD2-CE1 4Å; D667-H883 IonicContact OD2-CG 2.9Å; D667-H883 IonicContact OD2-ND1 2.98Å; D667-H883 PolarHBondContact OD2-ND1 2.96Å; Q769-H883 PolarHBondContact NE2-CD2 3.36Å; Q769-H883 VanDerWaalsContact NE2-CD2 3.34Å; Q769-H883 PolarHBondContact OE1-NE2 3.1Å; Y881-H883 HydrophobicContact CD1-CB 4.15Å; Y881-H883 HydrophobicContact CE1-CB 4.22Å; Y881-H883 AromaticContact CE1-CD2 3.93Å; Y881-H883 PolarHBondContact O-N 2.93Å; Y881-H883 VanDerWaalsContact O-N 3.1Å; H883-K885 PolarHBondContact CE1-NZ 3.4Å; H883-K885 PolarHBondContact NE2-NZ 3.18Å; H883-K885 WeakPolarHBondContact O-CD 3.34Å; H883-K885 WeakPolarHBondContact O-CE 3.44Å; H883-K885 PolarHBondContact O-NZ 3.37Å
884	S	98.7	Very high	98.2	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.067	C	C	.	.			trans	-43.6	148.6	174.5	-49.4	0	0	0	0	112.5	H666 D667 E767 N768 Q769	H666-S884 PolarHBondContact O-N 2.95Å; D667-S884 WeakPolarHBondContact CA-OG 3.16Å; D667-S884 WeakPolarHBondContact OD1-CA 3.22Å; D667-S884 PolarHBondContact OD1-N 3.35Å; E767-S884 VanDerWaalsContact CB-CB 3.47Å; E767-S884 CarbonylContact O-C 3.34Å; E767-S884 WeakPolarHBondContact OE2-CB 3.45Å; E767-S884 PolarHBondContact OE2-OG 2.83Å; N768-S884 CarbonylContact C-O 3.58Å; N768-S884 WeakPolarHBondContact CA-O 3.45Å; Q769-S884 PolarHBondContact N-O 3.07Å; Q769-S884 VanDerWaalsContact N-O 3.13Å
885	K	98.8	Very high	98.4	Very high	1 Å²	1	8.3 Å²	8.3	0%	0.004	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	82.2	163	-56.4	95.9	170.6	71.2	0	109.4	H883 G897 S898 A899 N900	H883-K885 PolarHBondContact CE1-NZ 3.4Å; H883-K885 PolarHBondContact NE2-NZ 3.18Å; H883-K885 WeakPolarHBondContact O-CD 3.34Å; H883-K885 WeakPolarHBondContact O-CE 3.44Å; H883-K885 PolarHBondContact O-NZ 3.37Å; K885-G897 WeakPolarHBondContact CB-O 3.36Å; K885-G897 PolarHBondContact O-N 2.99Å; K885-S898 WeakPolarHBondContact CD-O 3.33Å; K885-S898 WeakPolarHBondContact CE-O 3.45Å; K885-A899 WeakPolarHBondContact CB-O 3.38Å; K885-A899 WeakPolarHBondContact CG-O 3.36Å; K885-N900 WeakPolarHBondContact CE-OD1 3.49Å; K885-N900 VanDerWaalsContact CG-OD1 3.28Å; K885-N900 WeakPolarHBondContact CG-OD1 3.43Å; K885-N900 PolarHBondContact NZ-OD1 3.43Å
886	M	98.8	Very high	98.5	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	146.6	-171.1	175	-121.1	56	0	0	111.9	I668 Y765 E767 I888 V894 I895 I896 L942	I668-M886 HydrophobicContact CB-CB 4.21Å; I668-M886 HydrophobicContact CG1-CB 4.18Å; I668-M886 HydrophobicContact CG1-SD 4.47Å; I668-M886 HydrophobicContact CG2-CB 4.15Å; I668-M886 HydrophobicContact CG2-CG 4.19Å; Y765-M886 HydrophobicContact CD1-CE 3.51Å; Y765-M886 HydrophobicContact CD1-SD 4.47Å; Y765-M886 HydrophobicContact CE1-CE 3.67Å; Y765-M886 HydrophobicContact CE1-SD 4.5Å; E767-M886 HydrophobicContact CB-CE 3.98Å; E767-M886 HydrophobicContact CG-CE 3.86Å; E767-M886 PolarHBondContact N-O 3.28Å; E767-M886 VanDerWaalsContact N-O 3.13Å; E767-M886 PolarHBondContact O-N 3.12Å; M886-I888 HydrophobicContact CE-CD1 4.34Å; M886-I888 HydrophobicContact CE-CG1 3.98Å; M886-I888 HydrophobicContact CG-CG1 4.41Å; M886-I888 HydrophobicContact SD-CD1 3.74Å; M886-I888 HydrophobicContact SD-CG1 3.58Å; M886-I888 VanDerWaalsContact SD-CG1 3.58Å; M886-V894 HydrophobicContact CG-CG1 4.34Å; M886-I895 CarbonylContact C-O 3.41Å; M886-I895 WeakPolarHBondContact CA-O 3.1Å; M886-I896 HydrophobicContact CB-CG1 4.28Å; M886-I896 HydrophobicContact CG-CG1 3.84Å; M886-L942 HydrophobicContact SD-CD2 4.18Å
887	L	98.9	Very high	98.6	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	132.6	169.2	179.3	150.6	0	0	0	109.3	Y753 V756 I757 V764 Y765 I766 A889 V894 I895	Y753-L887 HydrophobicContact CD1-CB 4.37Å; Y753-L887 HydrophobicContact CD1-CD1 3.64Å; Y753-L887 HydrophobicContact CE1-CB 3.7Å; Y753-L887 HydrophobicContact CE1-CD1 3.75Å; Y753-L887 HydrophobicContact CE1-CG 4.38Å; V756-L887 HydrophobicContact CB-CD2 4.28Å; V756-L887 HydrophobicContact CG1-CD2 3.45Å; V756-L887 VanDerWaalsContact CG1-CD2 3.45Å; I757-L887 HydrophobicContact CD1-CD1 3.94Å; I757-L887 HydrophobicContact CG1-CD1 3.77Å; V764-L887 HydrophobicContact CG1-CD1 3.94Å; V764-L887 HydrophobicContact CG1-CG 4.04Å; Y765-L887 CarbonylContact O-C 3.58Å; Y765-L887 WeakPolarHBondContact O-CA 3.33Å; I766-L887 HydrophobicContact CD1-CD1 4.27Å; I766-L887 HydrophobicContact CG1-CB 4.47Å; I766-L887 HydrophobicContact CG1-CD1 4.05Å; I766-L887 HydrophobicContact CG1-CG 4.2Å; L887-A889 HydrophobicContact CD2-CB 4.28Å; L887-V894 CarbonylContact O-C 3.49Å; L887-V894 VanDerWaalsContact O-CA 3.29Å; L887-V894 WeakPolarHBondContact O-CA 3.24Å; L887-I895 HydrophobicContact CB-CB 4.46Å; L887-I895 PolarHBondContact N-O 3.39Å; L887-I895 PolarHBondContact O-N 3.03Å
888	I	98.9	Very high	98.7	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.028	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	133.9	169	-50.3	178.8	0	0	0	108.1	V764 Y765 M886 T893 V894 A939 L942 R943	V764-I888 CarbonylContact C-O 3.51Å; V764-I888 WeakPolarHBondContact CA-O 3.4Å; Y765-I888 HydrophobicContact CD1-CD1 3.94Å; Y765-I888 HydrophobicContact CD1-CG1 4.28Å; Y765-I888 PolarHBondContact N-O 3.29Å; Y765-I888 PolarHBondContact O-N 3.44Å; M886-I888 HydrophobicContact CE-CD1 4.34Å; M886-I888 HydrophobicContact CE-CG1 3.98Å; M886-I888 HydrophobicContact CG-CG1 4.41Å; M886-I888 HydrophobicContact SD-CD1 3.74Å; M886-I888 HydrophobicContact SD-CG1 3.58Å; M886-I888 VanDerWaalsContact SD-CG1 3.58Å; I888-T893 CarbonylContact C-O 3.49Å; I888-T893 WeakPolarHBondContact CA-O 3.29Å; I888-V894 HydrophobicContact CG1-CG1 4.48Å; I888-V894 HydrophobicContact CG1-CG2 4.21Å; I888-V894 HydrophobicContact CG2-CG2 4.24Å; I888-A939 HydrophobicContact CG2-CB 4.37Å; I888-L942 HydrophobicContact CD1-CB 4.41Å; I888-L942 HydrophobicContact CD1-CD2 3.95Å; I888-L942 HydrophobicContact CD1-CG 3.83Å; I888-L942 HydrophobicContact CG1-CD2 4.36Å; I888-R943 HydrophobicContact CD1-CB 3.76Å; I888-R943 HydrophobicContact CD1-CG 4.4Å; I888-R943 HydrophobicContact CG2-CB 4.47Å
889	A	98.9	Very high	98.7	Very high	3 Å²	3	3.8 Å²	3.8	3%	0.025	2%	0.022	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	130.3	171.9	0	0	0	0	0	110.6	V756 Y763 V764 L887 D891 N892 T893	V756-A889 HydrophobicContact CG1-CB 3.51Å; Y763-A889 WeakPolarHBondContact O-CA 3.39Å; V764-A889 HydrophobicContact CG2-CB 4.23Å; L887-A889 HydrophobicContact CD2-CB 4.28Å; A889-D891 PolarHBondContact O-N 3.48Å; A889-D891 VanDerWaalsContact O-N 3.07Å; A889-N892 PolarHBondContact O-N 2.86Å; A889-T893 PolarHBondContact N-O 3.19Å; A889-T893 PolarHBondContact O-N 3.34Å; A889-T893 VanDerWaalsContact O-N 3.16Å
890	D	98.8	Very high	98.8	Very high	8 Å²	8	4 Å²	4	4%	0.043	2%	0.023	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	33.9	167.6	-57.8	-28.6	0	0	0	115.2	S760 K761 H762 Y763 N892 Y933	S760-D890 VanDerWaalsContact CA-OD2 3.28Å; S760-D890 WeakPolarHBondContact CA-OD2 3.31Å; K761-D890 PolarHBondContact N-OD1 2.97Å; K761-D890 PolarHBondContact N-OD2 2.64Å; H762-D890 WeakPolarHBondContact CA-OD1 3.34Å; H762-D890 WeakPolarHBondContact CB-OD1 3.35Å; H762-D890 IonicContact CD2-OD1 3.44Å; H762-D890 PolarHBondContact N-OD1 3.22Å; Y763-D890 PolarHBondContact N-OD1 2.93Å; Y763-D890 PolarHBondContact O-N 3.44Å; D890-N892 WeakPolarHBondContact CB-ND2 3.37Å; D890-N892 PolarHBondContact O-N 3.09Å; D890-N892 PolarHBondContact O-ND2 2.86Å; D890-Y933 PolarHBondContact O-OH 2.94Å
891	D	98.7	Very high	98.8	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.023	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.9	35.6	-174.2	-73.8	-42.9	0	0	0	113.2	Y763 A889 A935 G936 L940 R943	Y763-D891 WeakPolarHBondContact OH-CA 3.18Å; Y763-D891 PolarHBondContact OH-N 2.97Å; Y763-D891 PolarHBondContact OH-OD1 3.22Å; A889-D891 PolarHBondContact O-N 3.48Å; A889-D891 VanDerWaalsContact O-N 3.07Å; D891-A935 HydrophobicContact CB-CB 3.89Å; D891-G936 WeakPolarHBondContact O-CA 3.48Å; D891-G936 PolarHBondContact O-N 3.22Å; D891-L940 HydrophobicContact CB-CB 4.35Å; D891-L940 HydrophobicContact CB-CD1 4.38Å; D891-R943 WeakPolarHBondContact OD1-CB 3.35Å; D891-R943 IonicContact OD1-CZ 3.33Å; D891-R943 IonicContact OD1-NE 3.88Å; D891-R943 PolarHBondContact OD1-NE 3.12Å; D891-R943 IonicContact OD1-NH2 2.71Å; D891-R943 IonicContact OD2-CZ 3.61Å; D891-R943 IonicContact OD2-NE 2.73Å; D891-R943 PolarHBondContact OD2-NE 3.4Å; D891-R943 IonicContact OD2-NH2 3.18Å; D891-R943 PolarHBondContact OD2-NH2 3.37Å
892	N	98.2	Very high	98.8	Very high	35 Å²	35	4 Å²	4	19%	0.187	2%	0.023	C	C	.	.	T	Hydrogen-bonded Turn	trans	-144.8	-18.6	178.4	66.3	62	0	0	0	115.7	A889 D890 E919 D920 Y933 A939	A889-N892 PolarHBondContact O-N 2.86Å; D890-N892 WeakPolarHBondContact CB-ND2 3.37Å; D890-N892 PolarHBondContact O-N 3.09Å; D890-N892 PolarHBondContact O-ND2 2.86Å; N892-E919 WeakPolarHBondContact O-CA 3.34Å; N892-D920 PolarHBondContact O-N 3.12Å; N892-Y933 PolarHBondContact ND2-OH 3.03Å; N892-A939 VanDerWaalsContact N-CB 3.31Å
893	T	98.9	Very high	98.8	Very high	14 Å²	14	4 Å²	4	9%	0.086	2%	0.023	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	130.1	-178.3	-58.4	0	0	0	0	109.3	V756 I888 A889 I917 V918 E919	V756-T893 HydrophobicContact CG1-CG2 4.07Å; V756-T893 HydrophobicContact CG2-CG2 3.89Å; I888-T893 CarbonylContact C-O 3.49Å; I888-T893 WeakPolarHBondContact CA-O 3.29Å; A889-T893 PolarHBondContact N-O 3.19Å; A889-T893 PolarHBondContact O-N 3.34Å; A889-T893 VanDerWaalsContact O-N 3.16Å; T893-I917 HydrophobicContact CG2-CD1 3.92Å; T893-I917 HydrophobicContact CG2-CG1 4.05Å; T893-V918 WeakPolarHBondContact CA-O 3.28Å; T893-E919 HydrophobicContact CG2-CG 3.99Å
894	V	98.9	Very high	98.7	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	137.8	179.3	-179	0	0	0	0	109.8	M886 L887 I888 I896 I917 V918 Y938 A939 L942	M886-V894 HydrophobicContact CG-CG1 4.34Å; L887-V894 CarbonylContact O-C 3.49Å; L887-V894 VanDerWaalsContact O-CA 3.29Å; L887-V894 WeakPolarHBondContact O-CA 3.24Å; I888-V894 HydrophobicContact CG1-CG1 4.48Å; I888-V894 HydrophobicContact CG1-CG2 4.21Å; I888-V894 HydrophobicContact CG2-CG2 4.24Å; V894-I896 HydrophobicContact CG1-CD1 3.73Å; V894-I896 HydrophobicContact CG1-CG1 3.72Å; V894-I917 CarbonylContact O-C 3.59Å; V894-I917 VanDerWaalsContact O-CA 3.31Å; V894-I917 WeakPolarHBondContact O-CA 3.32Å; V894-V918 PolarHBondContact N-O 2.84Å; V894-V918 PolarHBondContact O-N 3.15Å; V894-Y938 HydrophobicContact CB-CD1 4.32Å; V894-Y938 HydrophobicContact CB-CE1 4.07Å; V894-Y938 HydrophobicContact CG1-CE1 4.16Å; V894-Y938 HydrophobicContact CG2-CD1 3.94Å; V894-Y938 HydrophobicContact CG2-CE1 4.09Å; V894-A939 HydrophobicContact CG2-CB 3.62Å; V894-L942 HydrophobicContact CG1-CD2 3.7Å; V894-L942 HydrophobicContact CG2-CD2 4.18Å
895	I	98.9	Very high	98.7	Very high	1 Å²	1	5.7 Å²	5.7	1%	0.005	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	126.2	164.9	-54.4	176.7	0	0	0	107.8	A752 Y753 V756 M886 L887 A915 V916 I917	A752-I895 HydrophobicContact CB-CD1 4.03Å; Y753-I895 HydrophobicContact CD2-CD1 3.84Å; Y753-I895 HydrophobicContact CD2-CG2 4.26Å; Y753-I895 HydrophobicContact CE2-CB 4.18Å; Y753-I895 HydrophobicContact CE2-CD1 4.11Å; Y753-I895 HydrophobicContact CE2-CG2 3.63Å; Y753-I895 HydrophobicContact CG-CD1 4.29Å; V756-I895 HydrophobicContact CG2-CD1 4.09Å; M886-I895 CarbonylContact C-O 3.41Å; M886-I895 WeakPolarHBondContact CA-O 3.1Å; L887-I895 HydrophobicContact CB-CB 4.46Å; L887-I895 PolarHBondContact N-O 3.39Å; L887-I895 PolarHBondContact O-N 3.03Å; I895-A915 HydrophobicContact CG2-CB 4.19Å; I895-V916 WeakPolarHBondContact CA-O 3.1Å; I895-I917 HydrophobicContact CG1-CB 4.15Å; I895-I917 HydrophobicContact CG1-CD1 4.24Å; I895-I917 HydrophobicContact CG1-CG1 3.99Å
896	I	98.9	Very high	98.6	Very high	1 Å²	1	5.7 Å²	5.7	1%	0.005	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	133.7	174.9	-70.2	163.1	0	0	0	108.8	W377 I668 M886 V894 A915 V916 Y938 L942	W377-I896 HydrophobicContact CB-CD1 4.19Å; I668-I896 HydrophobicContact CG2-CD1 3.76Å; I668-I896 HydrophobicContact CG2-CG1 3.72Å; I668-I896 HydrophobicContact CG2-CG2 4.04Å; M886-I896 HydrophobicContact CB-CG1 4.28Å; M886-I896 HydrophobicContact CG-CG1 3.84Å; V894-I896 HydrophobicContact CG1-CD1 3.73Å; V894-I896 HydrophobicContact CG1-CG1 3.72Å; I896-A915 CarbonylContact O-C 2.99Å; I896-A915 VanDerWaalsContact O-CA 3.27Å; I896-A915 WeakPolarHBondContact O-CA 3.23Å; I896-A915 WeakPolarHBondContact O-CB 3.48Å; I896-V916 HydrophobicContact CB-CG2 4.47Å; I896-V916 PolarHBondContact N-O 2.86Å; I896-V916 PolarHBondContact O-N 3.33Å; I896-Y938 HydrophobicContact CD1-CE1 4.5Å; I896-L942 HydrophobicContact CD1-CD2 4.03Å
897	G	98.8	Very high	98.6	Very high	2 Å²	2	7.1 Å²	7.1	2%	0.021	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.8	-156.8	176.8	0	0	0	0	0	114	G503 G504 K885 V914	G503-G897 CarbonylContact C-O 3.59Å; G503-G897 CarbonylContact O-C 3.59Å; G504-G897 PolarHBondContact N-O 3.35Å; K885-G897 WeakPolarHBondContact CB-O 3.36Å; K885-G897 PolarHBondContact O-N 2.99Å; G897-V914 VanDerWaalsContact CA-O 3.27Å; G897-V914 WeakPolarHBondContact CA-O 3.4Å
898	S	98.8	Very high	98.4	Very high	1 Å²	1	7.1 Å²	7.1	1%	0.007	4%	0.037	C	C	.	.	S	Bend	trans	-97.9	-12.9	177.7	62.5	0	0	0	0	113.9	H489 K885 N900 E913 V914	H489-S898 PolarHBondContact CE1-O 2.89Å; H489-S898 PolarHBondContact ND1-O 3.36Å; H489-S898 WeakPolarHBondContact O-CB 3.47Å; K885-S898 WeakPolarHBondContact CD-O 3.33Å; K885-S898 WeakPolarHBondContact CE-O 3.45Å; S898-N900 PolarHBondContact O-N 3.34Å; S898-E913 WeakPolarHBondContact CB-OE2 3.37Å; S898-E913 WeakPolarHBondContact OG-CA 3.32Å; S898-E913 PolarHBondContact OG-OE2 3.46Å; S898-V914 PolarHBondContact N-O 2.78Å; S898-V914 PolarHBondContact OG-N 2.93Å; S898-V914 VanDerWaalsContact OG-N 3.13Å; S898-V914 PolarHBondContact OG-O 2.88Å
899	A	98.8	Very high	98.2	Very high	2 Å²	2	12.5 Å²	12.5	2%	0.017	6%	0.06	C	C	.	.			trans	-78.4	117.2	-169.2	0	0	0	0	0	113.5	I749 K885 M906 E913	I749-A899 HydrophobicContact CD1-CB 3.82Å; I749-A899 HydrophobicContact CG2-CB 3.76Å; K885-A899 WeakPolarHBondContact CB-O 3.38Å; K885-A899 WeakPolarHBondContact CG-O 3.36Å; A899-M906 HydrophobicContact CB-CE 4.18Å; A899-E913 HydrophobicContact CB-CB 3.96Å; A899-E913 HydrophobicContact CB-CG 4.04Å
900	N	98.8	Very high	98	Very high	5 Å²	5	13.1 Å²	13.1	3%	0.027	6%	0.062	C	C	.	.			trans	-73.2	156.5	173.5	-66.5	-48.8	0	0	0	111.7	N768 Q769 F770 K885 S898 N902 S905 M906	N768-N900 VanDerWaalsContact OD1-CA 3.27Å; N768-N900 WeakPolarHBondContact OD1-CA 3.43Å; Q769-N900 WeakPolarHBondContact CB-OD1 3.27Å; Q769-N900 PolarHBondContact OE1-ND2 3.17Å; Q769-N900 PolarHBondContact OE1-OD1 2.66Å; F770-N900 HydrophobicContact CB-CB 4.26Å; F770-N900 HydrophobicContact CD2-CB 3.83Å; K885-N900 WeakPolarHBondContact CE-OD1 3.49Å; K885-N900 VanDerWaalsContact CG-OD1 3.28Å; K885-N900 WeakPolarHBondContact CG-OD1 3.43Å; K885-N900 PolarHBondContact NZ-OD1 3.43Å; S898-N900 PolarHBondContact O-N 3.34Å; N900-N902 PolarHBondContact O-N 3.44Å; N900-S905 VanDerWaalsContact N-CB 3.28Å; N900-S905 PolarHBondContact N-OG 3.36Å; N900-S905 VanDerWaalsContact O-CB 3.29Å; N900-S905 WeakPolarHBondContact O-CB 3.48Å; N900-M906 WeakPolarHBondContact O-CE 3.48Å
901	I	98.8	Very high	97.9	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.061	C	C	.	.	B	Isolated β-bridge	trans	-78.7	83.3	167.9	-62.9	169.2	0	0	0	107.6	Y753 I766 N768 F770 F771 I772 I784 M906	Y753-I901 HydrophobicContact CE1-CD1 4.21Å; Y753-I901 HydrophobicContact CE1-CG1 4.28Å; I766-I901 HydrophobicContact CD1-CD1 4.49Å; I766-I901 HydrophobicContact CG2-CD1 3.69Å; N768-I901 HydrophobicContact CB-CD1 4.1Å; N768-I901 HydrophobicContact CB-CG1 4.36Å; N768-I901 PolarHBondContact OD1-N 3Å; F770-I901 CarbonylContact C-O 3.59Å; F770-I901 WeakPolarHBondContact O-CB 3.22Å; F771-I901 HydrophobicContact CD2-CB 4.38Å; F771-I901 HydrophobicContact CD2-CD1 3.89Å; F771-I901 HydrophobicContact CD2-CG2 4.19Å; F771-I901 HydrophobicContact CE2-CD1 3.89Å; F771-I901 HydrophobicContact CE2-CG2 4.47Å; I772-I901 PolarHBondContact N-O 2.95Å; I784-I901 HydrophobicContact CB-CG2 4.23Å; I784-I901 HydrophobicContact CD1-CG1 4.15Å; I784-I901 HydrophobicContact CD1-CG2 4.18Å; I784-I901 HydrophobicContact CG2-CD1 4.24Å; I784-I901 HydrophobicContact CG2-CG1 4.48Å; I784-I901 HydrophobicContact CG2-CG2 4.09Å; I901-M906 HydrophobicContact CG1-CE 4.21Å
902	N	98.6	Very high	97.9	Very high	6 Å²	6	13 Å²	13	3%	0.032	6%	0.061	C	C	.	.	S	Bend	trans	-160.6	164.3	175.1	69.3	15.9	0	0	0	108.9	F770 I772 N900 R904 S905 M906 T1061	F770-N902 HydrophobicContact CB-CB 4.42Å; I772-N902 HydrophobicContact CB-CB 4.05Å; I772-N902 WeakPolarHBondContact O-CA 3.22Å; N900-N902 PolarHBondContact O-N 3.44Å; N902-R904 VanDerWaalsContact C-N 3.3Å; N902-R904 PolarHBondContact O-N 3.24Å; N902-R904 WeakPolarHBondContact OD1-CB 2.99Å; N902-R904 PolarHBondContact OD1-N 3.09Å; N902-S905 PolarHBondContact O-N 3.04Å; N902-S905 WeakPolarHBondContact OD1-CB 3.16Å; N902-S905 PolarHBondContact OD1-N 3.49Å; N902-S905 PolarHBondContact OD1-OG 2.74Å; N902-M906 VanDerWaalsContact O-CB 3.24Å; N902-M906 WeakPolarHBondContact O-CB 3.21Å; N902-M906 WeakPolarHBondContact O-CG 3.28Å; N902-M906 PolarHBondContact O-N 3.39Å; N902-T1061 WeakPolarHBondContact CA-OXT 3.3Å; N902-T1061 VanDerWaalsContact CB-OXT 3.23Å; N902-T1061 WeakPolarHBondContact CB-OXT 3.38Å
903	D	98.4	Very high	97.9	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-66.4	-34.6	179.6	-79.7	-3	0	0	0	112	V780 Y781 N782 S905 M906 L907 R910 T1061	V780-D903 WeakPolarHBondContact CA-OD2 3.43Å; Y781-D903 WeakPolarHBondContact CD2-OD2 3.41Å; Y781-D903 PolarHBondContact N-OD1 3.1Å; Y781-D903 VanDerWaalsContact N-OD1 3.17Å; Y781-D903 PolarHBondContact N-OD2 3.26Å; N782-D903 VanDerWaalsContact CB-OD1 3.28Å; N782-D903 WeakPolarHBondContact CB-OD1 3.36Å; N782-D903 PolarHBondContact N-OD1 3.49Å; N782-D903 PolarHBondContact ND2-OD1 2.92Å; D903-S905 VanDerWaalsContact C-N 3.27Å; D903-S905 PolarHBondContact O-N 3.27Å; D903-M906 PolarHBondContact O-N 3.44Å; D903-L907 HydrophobicContact CB-CD1 3.66Å; D903-L907 HydrophobicContact CB-CG 3.89Å; D903-L907 WeakPolarHBondContact O-CB 3.2Å; D903-L907 VanDerWaalsContact O-CG 3.32Å; D903-L907 WeakPolarHBondContact O-CG 3.3Å; D903-L907 PolarHBondContact O-N 3.24Å; D903-L907 VanDerWaalsContact O-N 3.11Å; D903-R910 VanDerWaalsContact CB-CZ 3.45Å; D903-R910 IonicContact OD2-NH2 3.53Å; D903-T1061 WeakPolarHBondContact CB-OXT 3.24Å; D903-T1061 PolarHBondContact N-OXT 3.49Å
904	R	96.9	Very high	97.9	Very high	41 Å²	41	10.7 Å²	10.7	16%	0.155	5%	0.048	C	C	.	.	H	α-helix	trans	-49.5	-46.1	174.8	177.9	176.4	-73.6	-89.5	4.9	112.7	L485 N902 R910 D911 I1059 T1061	L485-R904 PolarHBondContact O-NH1 3.12Å; L485-R904 PolarHBondContact O-NH2 3.33Å; N902-R904 VanDerWaalsContact C-N 3.3Å; N902-R904 PolarHBondContact O-N 3.24Å; N902-R904 WeakPolarHBondContact OD1-CB 2.99Å; N902-R904 PolarHBondContact OD1-N 3.09Å; R904-R910 VanDerWaalsContact O-CB 3.23Å; R904-R910 WeakPolarHBondContact O-CB 3.13Å; R904-D911 VanDerWaalsContact CD-OD2 3.29Å; R904-D911 WeakPolarHBondContact CD-OD2 2.87Å; R904-D911 HydrophobicContact CG-CB 3.9Å; R904-D911 WeakPolarHBondContact CG-OD1 3.5Å; R904-D911 WeakPolarHBondContact CG-OD2 3.24Å; R904-D911 IonicContact CZ-OD1 3.05Å; R904-D911 IonicContact NH1-OD1 2.73Å; R904-D911 PolarHBondContact NH1-OD1 3.03Å; R904-D911 IonicContact NH1-OD2 2.99Å; R904-D911 PolarHBondContact O-N 3.45Å; R904-I1059 PolarHBondContact NH2-O 3.24Å; R904-T1061 WeakPolarHBondContact CB-O 3.11Å; R904-T1061 PolarHBondContact N-O 3.28Å
905	S	98.5	Very high	97.9	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-89.1	-34.3	-179.7	-66.8	0	0	0	0	112.6	S734 N900 N902 D903 E913	S734-S905 VanDerWaalsContact CB-O 3.26Å; S734-S905 WeakPolarHBondContact CB-O 3.41Å; S734-S905 PolarHBondContact OG-O 2.86Å; N900-S905 VanDerWaalsContact N-CB 3.28Å; N900-S905 PolarHBondContact N-OG 3.36Å; N900-S905 VanDerWaalsContact O-CB 3.29Å; N900-S905 WeakPolarHBondContact O-CB 3.48Å; N902-S905 PolarHBondContact O-N 3.04Å; N902-S905 WeakPolarHBondContact OD1-CB 3.16Å; N902-S905 PolarHBondContact OD1-N 3.49Å; N902-S905 PolarHBondContact OD1-OG 2.74Å; D903-S905 VanDerWaalsContact C-N 3.27Å; D903-S905 PolarHBondContact O-N 3.27Å; S905-E913 WeakPolarHBondContact CB-OE1 3.4Å; S905-E913 PolarHBondContact OG-OE1 3.26Å
906	M	98.5	Very high	97.9	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-88.4	-28	-167.1	-66.4	-64.6	175.5	0	0	114.9	I749 H750 Y753 N782 I784 A899 N900 I901 N902 D903 G908	I749-M906 HydrophobicContact CG2-CE 4.28Å; I749-M906 HydrophobicContact CG2-SD 3.98Å; H750-M906 HydrophobicContact CB-CB 3.99Å; H750-M906 VanDerWaalsContact CB-O 3.24Å; H750-M906 WeakPolarHBondContact CB-O 3.5Å; H750-M906 HydrophobicContact CB-SD 4.1Å; Y753-M906 HydrophobicContact CD2-CE 4.08Å; Y753-M906 HydrophobicContact CE2-CE 4.08Å; Y753-M906 HydrophobicContact CG-CE 4.34Å; N782-M906 HydrophobicContact CB-CB 4.04Å; I784-M906 HydrophobicContact CD1-CE 3.56Å; I784-M906 HydrophobicContact CD1-CG 3.89Å; I784-M906 HydrophobicContact CD1-SD 3.76Å; A899-M906 HydrophobicContact CB-CE 4.18Å; N900-M906 WeakPolarHBondContact O-CE 3.48Å; I901-M906 HydrophobicContact CG1-CE 4.21Å; N902-M906 VanDerWaalsContact O-CB 3.24Å; N902-M906 WeakPolarHBondContact O-CB 3.21Å; N902-M906 WeakPolarHBondContact O-CG 3.28Å; N902-M906 PolarHBondContact O-N 3.39Å; D903-M906 PolarHBondContact O-N 3.44Å; M906-G908 VanDerWaalsContact C-N 3.29Å; M906-G908 PolarHBondContact O-N 3.1Å
907	L	97.3	Very high	97.9	Very high	31 Å²	31	10.6 Å²	10.6	16%	0.162	5%	0.048	C	C	.	.	S	Bend	trans	-78.6	-5.1	-171.7	-63.1	-175.9	0	0	0	115.1	Y745 Y781 D903 K909	Y745-L907 WeakPolarHBondContact CD2-O 3.49Å; Y745-L907 WeakPolarHBondContact CE2-O 3.4Å; Y781-L907 HydrophobicContact CD2-CD1 4.39Å; D903-L907 HydrophobicContact CB-CD1 3.66Å; D903-L907 HydrophobicContact CB-CG 3.89Å; D903-L907 WeakPolarHBondContact O-CB 3.2Å; D903-L907 VanDerWaalsContact O-CG 3.32Å; D903-L907 WeakPolarHBondContact O-CG 3.3Å; D903-L907 PolarHBondContact O-N 3.24Å; D903-L907 VanDerWaalsContact O-N 3.11Å; L907-K909 PolarHBondContact O-N 3.37Å
908	G	94.9	Very high	97.9	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.047	C	C	.	.	S	Bend	trans	71.6	-30.5	-178.3	0	0	0	0	0	115.8	S735 A736 E746 M906	S735-G908 CarbonylContact C-O 3.49Å; S735-G908 PolarHBondContact N-O 2.79Å; A736-G908 WeakPolarHBondContact CB-O 3.47Å; E746-G908 VanDerWaalsContact O-CA 3.22Å; E746-G908 WeakPolarHBondContact O-CA 3.39Å; M906-G908 VanDerWaalsContact C-N 3.29Å; M906-G908 PolarHBondContact O-N 3.1Å
909	K	94.4	Very high	97.9	Very high	112 Å²	112	12.6 Å²	12.6	49%	0.487	6%	0.057	S	C	.	.	S	Bend	trans	-83.3	-14.8	-177.1	-63.1	173.9	-172.6	161.8	0	114.1	W738 Y745 L907	W738-K909 PolarHBondContact NE1-O 2.97Å; Y745-K909 HydrophobicContact CD1-CD 4.18Å; Y745-K909 HydrophobicContact CD1-CG 3.96Å; Y745-K909 HydrophobicContact CD2-CD 4.44Å; Y745-K909 HydrophobicContact CD2-CG 3.74Å; Y745-K909 HydrophobicContact CE1-CD 4.34Å; Y745-K909 HydrophobicContact CE2-CG 4.27Å; Y745-K909 HydrophobicContact CG-CD 4.25Å; Y745-K909 HydrophobicContact CG-CG 3.56Å; L907-K909 PolarHBondContact O-N 3.37Å
910	R	94.8	Very high	97.9	Very high	16 Å²	16	13 Å²	13	6%	0.06	6%	0.059	C	C	.	.	S	Bend	trans	-98.6	-116.9	-177.7	-64.9	-177.1	-174.5	-177.8	13	109.2	W486 W738 D903 R904 E1058 T1061	W486-R910 HydrophobicContact CD2-CB 3.76Å; W486-R910 HydrophobicContact CD2-CG 3.94Å; W486-R910 HydrophobicContact CE3-CB 3.72Å; W486-R910 HydrophobicContact CE3-CG 3.94Å; W486-R910 HydrophobicContact CG-CB 4.25Å; W486-R910 HydrophobicContact CH2-CG 3.8Å; W486-R910 HydrophobicContact CZ2-CG 3.75Å; W486-R910 HydrophobicContact CZ3-CB 4.12Å; W486-R910 HydrophobicContact CZ3-CG 3.88Å; W738-R910 WeakPolarHBondContact CZ2-O 3.22Å; W738-R910 PolarHBondContact NE1-O 2.96Å; D903-R910 VanDerWaalsContact CB-CZ 3.45Å; D903-R910 IonicContact OD2-NH2 3.53Å; R904-R910 VanDerWaalsContact O-CB 3.23Å; R904-R910 WeakPolarHBondContact O-CB 3.13Å; R910-E1058 PolarHBondContact NH1-O 3.27Å; R910-T1061 PolarHBondContact NH1-O 3.2Å; R910-T1061 PolarHBondContact NH1-OG1 3.13Å; R910-T1061 VanDerWaalsContact NH1-OG1 3.08Å
911	D	97.4	Very high	97.6	Very high	5 Å²	5	15.4 Å²	15.4	3%	0.027	8%	0.076	C	C	.	.	S	Bend	trans	-69.2	149.8	-178.9	-73.1	16.6	0	0	0	111	W486 A487 H489 R904	W486-D911 WeakPolarHBondContact CA-OD1 3.32Å; W486-D911 WeakPolarHBondContact CB-OD1 3.48Å; A487-D911 PolarHBondContact N-OD1 2.93Å; A487-D911 VanDerWaalsContact O-CA 3.26Å; A487-D911 WeakPolarHBondContact O-CA 3.43Å; A487-D911 WeakPolarHBondContact O-CB 3.31Å; H489-D911 HydrophobicContact CB-CB 4.3Å; R904-D911 VanDerWaalsContact CD-OD2 3.29Å; R904-D911 WeakPolarHBondContact CD-OD2 2.87Å; R904-D911 HydrophobicContact CG-CB 3.9Å; R904-D911 WeakPolarHBondContact CG-OD1 3.5Å; R904-D911 WeakPolarHBondContact CG-OD2 3.24Å; R904-D911 IonicContact CZ-OD1 3.05Å; R904-D911 IonicContact NH1-OD1 2.73Å; R904-D911 PolarHBondContact NH1-OD1 3.03Å; R904-D911 IonicContact NH1-OD2 2.99Å; R904-D911 PolarHBondContact O-N 3.45Å
912	S	98.4	Very high	97.4	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.102	C	C	.	.	B	Isolated β-bridge	trans	-84.9	135.6	168	58.5	0	0	0	0	110.9	A487 H488 H489 E490 S734	A487-S912 PolarHBondContact O-N 3.16Å; A487-S912 VanDerWaalsContact O-N 3.09Å; H488-S912 WeakPolarHBondContact CA-OG 3.5Å; H488-S912 PolarHBondContact ND1-OG 3.23Å; H489-S912 PolarHBondContact N-O 3.17Å; E490-S912 PolarHBondContact N-O 3.26Å; E490-S912 PolarHBondContact OE1-OG 3.37Å; E490-S912 VanDerWaalsContact OE2-O 3.05Å; E490-S912 PolarHBondContact OE2-OG 3.39Å; S734-S912 VanDerWaalsContact O-CA 3.26Å; S734-S912 WeakPolarHBondContact O-CA 3.32Å
913	E	98.9	Very high	97.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	155.1	-175.5	-53.8	-72	-168.5	0	0	110.2	H489 R733 S734 I749 S898 A899 S905	H489-E913 WeakPolarHBondContact CB-OE2 3.01Å; H489-E913 IonicContact CG-OE1 3.04Å; H489-E913 IonicContact CG-OE2 3.86Å; H489-E913 IonicContact ND1-OE1 3.47Å; H489-E913 PolarHBondContact ND1-OE1 3.33Å; H489-E913 IonicContact ND1-OE2 3.75Å; H489-E913 PolarHBondContact ND1-OE2 3.11Å; R733-E913 CarbonylContact C-O 3.53Å; R733-E913 WeakPolarHBondContact CA-O 3.46Å; R733-E913 WeakPolarHBondContact CB-O 3.34Å; S734-E913 PolarHBondContact N-O 2.69Å; S734-E913 PolarHBondContact O-N 2.89Å; S734-E913 VanDerWaalsContact O-N 3.07Å; I749-E913 HydrophobicContact CD1-CB 3.75Å; S898-E913 WeakPolarHBondContact CB-OE2 3.37Å; S898-E913 WeakPolarHBondContact OG-CA 3.32Å; S898-E913 PolarHBondContact OG-OE2 3.46Å; A899-E913 HydrophobicContact CB-CB 3.96Å; A899-E913 HydrophobicContact CB-CG 4.04Å; S905-E913 WeakPolarHBondContact CB-OE1 3.4Å; S905-E913 PolarHBondContact OG-OE1 3.26Å
914	V	98.9	Very high	97.3	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.006	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	139.9	172.6	179.2	0	0	0	0	109.1	E490 I492 V502 V731 L732 R733 G897 S898	E490-V914 HydrophobicContact CB-CB 4.07Å; E490-V914 HydrophobicContact CB-CG2 3.78Å; E490-V914 HydrophobicContact CG-CG2 4.16Å; I492-V914 HydrophobicContact CG2-CB 4.35Å; I492-V914 HydrophobicContact CG2-CG1 4.46Å; V502-V914 HydrophobicContact CG1-CB 4.43Å; V502-V914 HydrophobicContact CG1-CG1 3.9Å; V502-V914 HydrophobicContact CG2-CG1 4.47Å; V731-V914 HydrophobicContact CG1-CG1 4.16Å; L732-V914 WeakPolarHBondContact O-CA 3.47Å; R733-V914 HydrophobicContact CB-CG2 4.47Å; G897-V914 VanDerWaalsContact CA-O 3.27Å; G897-V914 WeakPolarHBondContact CA-O 3.4Å; S898-V914 PolarHBondContact N-O 2.78Å; S898-V914 PolarHBondContact OG-N 2.93Å; S898-V914 VanDerWaalsContact OG-N 3.13Å; S898-V914 PolarHBondContact OG-O 2.88Å
915	A	98.9	Very high	97.3	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.008	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	162.8	172	0	0	0	0	0	110.7	L732 I749 I895 I896	L732-A915 HydrophobicContact CB-CB 4.4Å; L732-A915 PolarHBondContact N-O 3.39Å; L732-A915 PolarHBondContact O-N 3.22Å; L732-A915 VanDerWaalsContact O-O 3.14Å; I749-A915 HydrophobicContact CD1-CB 3.88Å; I749-A915 HydrophobicContact CG1-CB 3.97Å; I749-A915 HydrophobicContact CG2-CB 4.39Å; I895-A915 HydrophobicContact CG2-CB 4.19Å; I896-A915 CarbonylContact O-C 2.99Å; I896-A915 VanDerWaalsContact O-CA 3.27Å; I896-A915 WeakPolarHBondContact O-CA 3.23Å; I896-A915 WeakPolarHBondContact O-CB 3.48Å
916	V	98.9	Very high	97.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	133.7	167.7	-64	0	0	0	0	108.6	V502 S670 V672 Q730 V731 I895 I896 V918	V502-V916 HydrophobicContact CB-CG1 4.39Å; V502-V916 HydrophobicContact CG1-CG1 4.45Å; V502-V916 HydrophobicContact CG2-CG1 4.36Å; S670-V916 WeakPolarHBondContact OG-CG2 3.44Å; V672-V916 HydrophobicContact CG1-CG1 4.32Å; Q730-V916 WeakPolarHBondContact O-CA 2.8Å; V731-V916 HydrophobicContact CG2-CG1 4.34Å; I895-V916 WeakPolarHBondContact CA-O 3.1Å; I896-V916 HydrophobicContact CB-CG2 4.47Å; I896-V916 PolarHBondContact N-O 2.86Å; I896-V916 PolarHBondContact O-N 3.33Å; V916-V918 HydrophobicContact CG2-CG2 4.36Å
917	I	98.9	Very high	97.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	129.1	164	-177.6	173.2	0	0	0	108.1	F363 V729 Q730 L732 V756 T893 V894 I895 E919	F363-I917 HydrophobicContact CE2-CD1 3.94Å; F363-I917 HydrophobicContact CE2-CG2 4.2Å; F363-I917 HydrophobicContact CZ-CD1 4.01Å; V729-I917 WeakPolarHBondContact CA-O 3.16Å; Q730-I917 HydrophobicContact CB-CG2 3.66Å; Q730-I917 PolarHBondContact N-O 2.86Å; Q730-I917 WeakPolarHBondContact O-CG2 3.32Å; Q730-I917 PolarHBondContact O-N 2.65Å; L732-I917 HydrophobicContact CD1-CB 4.04Å; L732-I917 HydrophobicContact CD1-CG2 3.93Å; L732-I917 HydrophobicContact CD2-CG2 4.34Å; L732-I917 HydrophobicContact CG-CG2 4.19Å; V756-I917 HydrophobicContact CG2-CD1 3.86Å; T893-I917 HydrophobicContact CG2-CD1 3.92Å; T893-I917 HydrophobicContact CG2-CG1 4.05Å; V894-I917 CarbonylContact O-C 3.59Å; V894-I917 VanDerWaalsContact O-CA 3.31Å; V894-I917 WeakPolarHBondContact O-CA 3.32Å; I895-I917 HydrophobicContact CG1-CB 4.15Å; I895-I917 HydrophobicContact CG1-CD1 4.24Å; I895-I917 HydrophobicContact CG1-CG1 3.99Å; I917-E919 HydrophobicContact CG1-CG 4.45Å
918	V	98.8	Very high	97.3	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	122.1	178.7	-173.2	0	0	0	0	107.8	A727 K728 V729 T893 V894 V916 Y938	A727-V918 HydrophobicContact CB-CG1 3.46Å; A727-V918 VanDerWaalsContact CB-CG1 3.46Å; K728-V918 CarbonylContact O-C 3.55Å; K728-V918 WeakPolarHBondContact O-CA 3.5Å; V729-V918 HydrophobicContact CG2-CG1 4.4Å; V729-V918 HydrophobicContact CG2-CG2 4.28Å; T893-V918 WeakPolarHBondContact CA-O 3.28Å; V894-V918 PolarHBondContact N-O 2.84Å; V894-V918 PolarHBondContact O-N 3.15Å; V916-V918 HydrophobicContact CG2-CG2 4.36Å; V918-Y938 HydrophobicContact CB-CD1 4.29Å; V918-Y938 HydrophobicContact CB-CE1 4.09Å; V918-Y938 HydrophobicContact CG1-CD1 3.92Å; V918-Y938 HydrophobicContact CG1-CD2 4.11Å; V918-Y938 HydrophobicContact CG1-CE1 4.07Å; V918-Y938 HydrophobicContact CG1-CE2 4.24Å; V918-Y938 HydrophobicContact CG1-CG 3.95Å; V918-Y938 HydrophobicContact CG2-CE1 4.21Å
919	E	98.7	Very high	97.5	Very high	44 Å²	44	35.3 Å²	35.3	21%	0.206	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	123.8	174.6	-69.4	165.5	128.2	0	0	108.3	R362 K728 N892 T893 I917 S921	R362-E919 IonicContact CZ-OE1 2.79Å; R362-E919 IonicContact CZ-OE2 3.79Å; R362-E919 IonicContact NH1-OE1 3.6Å; R362-E919 PolarHBondContact NH1-OE1 3.26Å; R362-E919 IonicContact NH1-OE2 3.69Å; R362-E919 PolarHBondContact NH1-OE2 3.27Å; R362-E919 IonicContact NH2-OE1 3.29Å; R362-E919 IonicContact NH2-OE2 3.07Å; R362-E919 PolarHBondContact NH2-OE2 2.9Å; K728-E919 HydrophobicContact CB-CB 4.24Å; K728-E919 WeakPolarHBondContact CB-O 3.3Å; K728-E919 WeakPolarHBondContact CD-OE2 3.39Å; K728-E919 WeakPolarHBondContact CE-OE2 3.45Å; K728-E919 PolarHBondContact N-O 3.04Å; K728-E919 PolarHBondContact O-N 3.46Å; N892-E919 WeakPolarHBondContact O-CA 3.34Å; T893-E919 HydrophobicContact CG2-CG 3.99Å; I917-E919 HydrophobicContact CG1-CG 4.45Å; E919-S921 PolarHBondContact O-N 2.72Å
920	D	97.8	Very high	97.6	Very high	11 Å²	11	32.6 Å²	32.6	6%	0.059	19%	0.193	C	C	.	.			trans	-68.1	121.8	-179.7	-80.8	-73.7	0	0	0	111.4	N892 K923 G936 P937 Y938 A939	N892-D920 PolarHBondContact O-N 3.12Å; D920-K923 PolarHBondContact O-NZ 3.38Å; D920-G936 VanDerWaalsContact CG-C 3.41Å; D920-G936 VanDerWaalsContact OD2-CA 3.31Å; D920-G936 WeakPolarHBondContact OD2-CA 3.22Å; D920-P937 VanDerWaalsContact OD1-CD 3.27Å; D920-P937 WeakPolarHBondContact OD1-CD 2.88Å; D920-Y938 WeakPolarHBondContact OD1-CB 3.48Å; D920-Y938 PolarHBondContact OD1-N 2.87Å; D920-Y938 PolarHBondContact OD2-N 3.1Å; D920-A939 VanDerWaalsContact OD2-CB 3.29Å; D920-A939 WeakPolarHBondContact OD2-CB 3.45Å; D920-A939 PolarHBondContact OD2-N 3.25Å
921	S	93	Very high	97.7	Very high	55 Å²	55	38.4 Å²	38.4	39%	0.385	22%	0.221	S	C	.	.	S	Bend	trans	-82.3	-40.2	172.9	-53.4	0	0	0	0	111.3	K728 E919	K728-S921 PolarHBondContact N-OG 2.76Å; E919-S921 PolarHBondContact O-N 2.72Å
922	E	94.5	Very high	97.7	Very high	117 Å²	117	45.6 Å²	45.6	55%	0.547	25%	0.254	S	S	.	.	S	Bend	trans	-80.7	158.9	174.7	-66.2	-178.5	-175.7	0	0	111.3	P937	E922-P937 HydrophobicContact CB-CG 4.24Å; E922-P937 WeakPolarHBondContact O-CD 3.35Å
923	K	96.6	Very high	97.7	Very high	97 Å²	97	47.5 Å²	47.5	42%	0.422	26%	0.262	S	S	.	.			trans	-131.8	143.6	179.7	-58.2	-65	162.1	-149.4	0	111.2	D920 Q934 A935	D920-K923 PolarHBondContact O-NZ 3.38Å; K923-Q934 HydrophobicContact CB-CB 4.2Å; K923-Q934 HydrophobicContact CG-CB 4.45Å; K923-A935 CarbonylContact C-O 3.18Å; K923-A935 VanDerWaalsContact CA-O 3.23Å; K923-A935 WeakPolarHBondContact CA-O 3.28Å
924	V	97.6	Very high	97.7	Very high	59 Å²	59	51.7 Å²	51.7	36%	0.358	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	147.1	175.2	-63.4	0	0	0	0	109.6	S926 A935 P937 L940	V924-S926 PolarHBondContact O-N 2.91Å; V924-A935 HydrophobicContact CG2-CB 4.44Å; V924-A935 PolarHBondContact N-O 2.87Å; V924-A935 PolarHBondContact O-N 3.5Å; V924-P937 HydrophobicContact CG1-CB 4.22Å; V924-P937 HydrophobicContact CG2-CB 4.49Å; V924-L940 HydrophobicContact CG2-CD2 3.76Å
925	S	98.1	Very high	97.7	Very high	89 Å²	89	51.7 Å²	51.7	62%	0.622	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.3	133.3	176.2	-64.3	0	0	0	0	110.9
926	S	98.1	Very high	97.6	Very high	17 Å²	17	51.6 Å²	51.6	12%	0.119	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	-169.9	179.7	-170.1	0	0	0	0	109.4	V924 Y933	V924-S926 PolarHBondContact O-N 2.91Å; S926-Y933 CarbonylContact C-O 3.55Å; S926-Y933 PolarHBondContact N-O 3.03Å; S926-Y933 PolarHBondContact O-N 3.36Å
927	V	98.1	Very high	97.6	Very high	48 Å²	48	52.7 Å²	52.7	29%	0.291	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	138.9	-178.8	-178.7	0	0	0	0	110.4	Q931 D963	V927-Q931 CarbonylContact C-O 3.53Å; V927-Q931 WeakPolarHBondContact CA-O 3.49Å; V927-D963 HydrophobicContact CB-CB 4.43Å; V927-D963 HydrophobicContact CG1-CB 4.09Å
928	M	98.4	Very high	97.6	Very high	7 Å²	7	52.8 Å²	52.8	3%	0.034	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	113.6	176.1	-164.5	69.2	62.7	0	0	109.8	H762 Y763 G930 Q931 Y933 P964 V965	H762-M928 HydrophobicContact CB-CE 4.41Å; H762-M928 HydrophobicContact CB-CG 3.82Å; H762-M928 HydrophobicContact CB-SD 3.57Å; H762-M928 VanDerWaalsContact CB-SD 3.57Å; H762-M928 VanDerWaalsContact CG-CG 3.48Å; H762-M928 WeakPolarHBondContact ND1-CG 3.46Å; Y763-M928 HydrophobicContact CD1-CE 4.33Å; Y763-M928 HydrophobicContact CD1-SD 4.19Å; Y763-M928 HydrophobicContact CE1-CE 4.03Å; Y763-M928 HydrophobicContact CE1-SD 4.44Å; M928-G930 VanDerWaalsContact C-N 3.31Å; M928-G930 PolarHBondContact O-N 3.25Å; M928-Q931 PolarHBondContact N-O 3.45Å; M928-Q931 WeakPolarHBondContact O-CB 3.45Å; M928-Q931 PolarHBondContact O-N 3.02Å; M928-Q931 VanDerWaalsContact O-N 3.12Å; M928-Y933 HydrophobicContact CB-CD1 4.32Å; M928-Y933 HydrophobicContact CB-CD2 3.78Å; M928-Y933 HydrophobicContact CB-CG 3.64Å; M928-Y933 HydrophobicContact CE-CD1 3.79Å; M928-Y933 HydrophobicContact CE-CE1 3.76Å; M928-Y933 HydrophobicContact CE-CG 4.22Å; M928-Y933 HydrophobicContact CG-CD2 4.28Å; M928-Y933 HydrophobicContact CG-CG 4.44Å; M928-P964 HydrophobicContact CE-CG 4.04Å; M928-P964 HydrophobicContact SD-CG 3.86Å; M928-V965 HydrophobicContact CG-CG2 3.97Å; M928-V965 HydrophobicContact SD-CB 4.43Å; M928-V965 HydrophobicContact SD-CG1 3.94Å; M928-V965 HydrophobicContact SD-CG2 3.64Å
929	D	97.5	Very high	97.6	Very high	61 Å²	61	52.8 Å²	52.8	33%	0.326	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	44.1	-172.9	-160	22.1	0	0	0	113.9	K801 Q931 D963 V965	K801-D929 HydrophobicContact CD-CB 4.43Å; K801-D929 VanDerWaalsContact CD-CG 3.49Å; K801-D929 VanDerWaalsContact CD-OD1 3.25Å; K801-D929 WeakPolarHBondContact CD-OD1 3.11Å; K801-D929 WeakPolarHBondContact CD-OD2 3.31Å; K801-D929 WeakPolarHBondContact CE-OD1 3.03Å; K801-D929 WeakPolarHBondContact CE-OD2 3.11Å; K801-D929 IonicContact NZ-OD1 3.08Å; K801-D929 PolarHBondContact NZ-OD1 3.07Å; K801-D929 IonicContact NZ-OD2 3.67Å; K801-D929 PolarHBondContact NZ-OD2 3.33Å; D929-Q931 PolarHBondContact O-N 3.12Å; D929-Q931 VanDerWaalsContact O-N 3.14Å; D929-D963 WeakPolarHBondContact CA-OD2 3.38Å; D929-D963 VanDerWaalsContact N-CG 3.32Å; D929-D963 PolarHBondContact N-OD1 2.99Å; D929-D963 VanDerWaalsContact N-OD1 3.13Å; D929-D963 PolarHBondContact N-OD2 2.73Å; D929-V965 HydrophobicContact CB-CG2 3.8Å; D929-V965 VanDerWaalsContact N-CG2 3.3Å
930	G	97	Very high	97.6	Very high	56 Å²	56	51.3 Å²	51.3	58%	0.577	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	-0.1	-177.9	0	0	0	0	0	114.7	M928 D963	M928-G930 VanDerWaalsContact C-N 3.31Å; M928-G930 PolarHBondContact O-N 3.25Å; G930-D963 PolarHBondContact N-OD2 3.23Å
931	Q	97.8	Very high	97.6	Very high	138 Å²	138	54.7 Å²	54.7	65%	0.645	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.3	150.4	177.3	-55.9	-56.4	-51.8	0	0	111.1	V927 M928 D929 Y933	V927-Q931 CarbonylContact C-O 3.53Å; V927-Q931 WeakPolarHBondContact CA-O 3.49Å; M928-Q931 PolarHBondContact N-O 3.45Å; M928-Q931 WeakPolarHBondContact O-CB 3.45Å; M928-Q931 PolarHBondContact O-N 3.02Å; M928-Q931 VanDerWaalsContact O-N 3.12Å; D929-Q931 PolarHBondContact O-N 3.12Å; D929-Q931 VanDerWaalsContact O-N 3.14Å; Q931-Y933 PolarHBondContact O-N 2.87Å
932	E	97.9	Very high	97.9	Very high	156 Å²	156	52.1 Å²	52.1	73%	0.729	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.5	131.2	170	-171.8	179.8	-176.7	0	0	110
933	Y	98.4	Very high	98.1	Very high	40 Å²	40	46.5 Å²	46.5	16%	0.157	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	147	-176.9	-173.7	-103.9	0	0	0	110.9	H762 D890 N892 S926 M928 Q931 A935	H762-Y933 AromaticContact CD2-CE2 3.88Å; H762-Y933 AromaticContact NE2-CE2 3.6Å; D890-Y933 PolarHBondContact O-OH 2.94Å; N892-Y933 PolarHBondContact ND2-OH 3.03Å; S926-Y933 CarbonylContact C-O 3.55Å; S926-Y933 PolarHBondContact N-O 3.03Å; S926-Y933 PolarHBondContact O-N 3.36Å; M928-Y933 HydrophobicContact CB-CD1 4.32Å; M928-Y933 HydrophobicContact CB-CD2 3.78Å; M928-Y933 HydrophobicContact CB-CG 3.64Å; M928-Y933 HydrophobicContact CE-CD1 3.79Å; M928-Y933 HydrophobicContact CE-CE1 3.76Å; M928-Y933 HydrophobicContact CE-CG 4.22Å; M928-Y933 HydrophobicContact CG-CD2 4.28Å; M928-Y933 HydrophobicContact CG-CG 4.44Å; Q931-Y933 PolarHBondContact O-N 2.87Å; Y933-A935 HydrophobicContact CD1-CB 3.98Å; Y933-A935 HydrophobicContact CE1-CB 4.07Å
934	Q	98.1	Very high	98.2	Very high	88 Å²	88	42.8 Å²	42.8	41%	0.411	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	95.7	176.8	-67.4	-62.1	-44.7	0	0	108.5	K923	K923-Q934 HydrophobicContact CB-CB 4.2Å; K923-Q934 HydrophobicContact CG-CB 4.45Å
935	A	98.3	Very high	98.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	157	-178.9	0	0	0	0	0	111.2	D891 K923 V924 Y933 L940	D891-A935 HydrophobicContact CB-CB 3.89Å; K923-A935 CarbonylContact C-O 3.18Å; K923-A935 VanDerWaalsContact CA-O 3.23Å; K923-A935 WeakPolarHBondContact CA-O 3.28Å; V924-A935 HydrophobicContact CG2-CB 4.44Å; V924-A935 PolarHBondContact N-O 2.87Å; V924-A935 PolarHBondContact O-N 3.5Å; Y933-A935 HydrophobicContact CD1-CB 3.98Å; Y933-A935 HydrophobicContact CE1-CB 4.07Å; A935-L940 HydrophobicContact CB-CB 4.14Å; A935-L940 HydrophobicContact CB-CD1 4.42Å; A935-L940 HydrophobicContact CB-CD2 3.96Å; A935-L940 HydrophobicContact CB-CG 4.4Å
936	G	98.3	Very high	98.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.199	C	C	.	.			trans	-82.7	132.5	169	0	0	0	0	0	111.7	D891 D920 Y938 A939 L940	D891-G936 WeakPolarHBondContact O-CA 3.48Å; D891-G936 PolarHBondContact O-N 3.22Å; D920-G936 VanDerWaalsContact CG-C 3.41Å; D920-G936 VanDerWaalsContact OD2-CA 3.31Å; D920-G936 WeakPolarHBondContact OD2-CA 3.22Å; G936-Y938 PolarHBondContact O-N 3.48Å; G936-A939 PolarHBondContact O-N 3.21Å; G936-L940 WeakPolarHBondContact O-CB 3.41Å; G936-L940 PolarHBondContact O-N 2.82Å
937	P	97.8	Very high	98.3	Very high	23 Å²	23	36.7 Å²	36.7	15%	0.149	19%	0.193	C	C	.	.	H	α-helix	trans	-63.4	-36.4	-176.3	24.5	-33.9	0	0	0	113.6	D920 E922 V924 E941	D920-P937 VanDerWaalsContact OD1-CD 3.27Å; D920-P937 WeakPolarHBondContact OD1-CD 2.88Å; E922-P937 HydrophobicContact CB-CG 4.24Å; E922-P937 WeakPolarHBondContact O-CD 3.35Å; V924-P937 HydrophobicContact CG1-CB 4.22Å; V924-P937 HydrophobicContact CG2-CB 4.49Å; P937-E941 WeakPolarHBondContact O-CB 3.44Å; P937-E941 PolarHBondContact O-N 2.87Å
938	Y	98.6	Very high	98.3	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.008	19%	0.192	C	C	.	.	H	α-helix	trans	-64.2	-53.4	177.8	-174.3	-79.4	0	0	0	110.9	A375 W377 V725 V894 I896 V918 D920 G936 L942	A375-Y938 HydrophobicContact CB-CD2 4.33Å; A375-Y938 HydrophobicContact CB-CE2 3.84Å; W377-Y938 HydrophobicContact CB-CE1 4.17Å; W377-Y938 HydrophobicContact CB-CE2 4.35Å; W377-Y938 WeakPolarHBondContact CB-OH 3.37Å; W377-Y938 AromaticContact CD1-CE1 3.96Å; W377-Y938 AromaticContact CD1-CE2 3.93Å; W377-Y938 AromaticContact CD1-CZ 3.87Å; W377-Y938 HydrophobicContact CG-CE1 4.46Å; V725-Y938 HydrophobicContact CG2-CD2 3.53Å; V725-Y938 HydrophobicContact CG2-CG 4.14Å; V894-Y938 HydrophobicContact CB-CD1 4.32Å; V894-Y938 HydrophobicContact CB-CE1 4.07Å; V894-Y938 HydrophobicContact CG1-CE1 4.16Å; V894-Y938 HydrophobicContact CG2-CD1 3.94Å; V894-Y938 HydrophobicContact CG2-CE1 4.09Å; I896-Y938 HydrophobicContact CD1-CE1 4.5Å; V918-Y938 HydrophobicContact CB-CD1 4.29Å; V918-Y938 HydrophobicContact CB-CE1 4.09Å; V918-Y938 HydrophobicContact CG1-CD1 3.92Å; V918-Y938 HydrophobicContact CG1-CD2 4.11Å; V918-Y938 HydrophobicContact CG1-CE1 4.07Å; V918-Y938 HydrophobicContact CG1-CE2 4.24Å; V918-Y938 HydrophobicContact CG1-CG 3.95Å; V918-Y938 HydrophobicContact CG2-CE1 4.21Å; D920-Y938 WeakPolarHBondContact OD1-CB 3.48Å; D920-Y938 PolarHBondContact OD1-N 2.87Å; D920-Y938 PolarHBondContact OD2-N 3.1Å; G936-Y938 PolarHBondContact O-N 3.48Å; Y938-L942 HydrophobicContact CE1-CD2 4.44Å; Y938-L942 WeakPolarHBondContact O-CB 3.32Å; Y938-L942 PolarHBondContact O-N 3.35Å
939	A	98.8	Very high	98.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-68.6	-42.2	-176.3	0	0	0	0	0	112.5	I888 N892 V894 D920 G936 R943	I888-A939 HydrophobicContact CG2-CB 4.37Å; N892-A939 VanDerWaalsContact N-CB 3.31Å; V894-A939 HydrophobicContact CG2-CB 3.62Å; D920-A939 VanDerWaalsContact OD2-CB 3.29Å; D920-A939 WeakPolarHBondContact OD2-CB 3.45Å; D920-A939 PolarHBondContact OD2-N 3.25Å; G936-A939 PolarHBondContact O-N 3.21Å; A939-R943 VanDerWaalsContact O-CB 3.31Å; A939-R943 WeakPolarHBondContact O-CB 3.39Å; A939-R943 PolarHBondContact O-N 2.64Å
940	L	98.6	Very high	98.3	Very high	13 Å²	13	34.7 Å²	34.7	7%	0.068	18%	0.176	C	C	.	.	H	α-helix	trans	-60.7	-52.5	178.8	177	61.7	0	0	0	111.7	D891 V924 A935 G936 L942 R943 L944	D891-L940 HydrophobicContact CB-CB 4.35Å; D891-L940 HydrophobicContact CB-CD1 4.38Å; V924-L940 HydrophobicContact CG2-CD2 3.76Å; A935-L940 HydrophobicContact CB-CB 4.14Å; A935-L940 HydrophobicContact CB-CD1 4.42Å; A935-L940 HydrophobicContact CB-CD2 3.96Å; A935-L940 HydrophobicContact CB-CG 4.4Å; G936-L940 WeakPolarHBondContact O-CB 3.41Å; G936-L940 PolarHBondContact O-N 2.82Å; L940-L942 PolarHBondContact O-N 3.43Å; L940-R943 PolarHBondContact O-N 3.42Å; L940-L944 HydrophobicContact CD1-CD1 3.91Å; L940-L944 HydrophobicContact CD1-CG 4.17Å; L940-L944 HydrophobicContact CG-CD1 3.88Å; L940-L944 WeakPolarHBondContact O-CB 3.29Å; L940-L944 WeakPolarHBondContact O-CG 3.05Å; L940-L944 PolarHBondContact O-N 3.48Å
941	E	98.4	Very high	98.3	Very high	83 Å²	83	32 Å²	32	39%	0.388	15%	0.148	S	C	.	.	H	α-helix	trans	-69.1	-35	-176.6	-72.9	-57.6	147.3	0	0	112.3	W377 P937 L944 E945 R948	W377-E941 HydrophobicContact CZ2-CB 4.16Å; P937-E941 WeakPolarHBondContact O-CB 3.44Å; P937-E941 PolarHBondContact O-N 2.87Å; E941-L944 PolarHBondContact O-N 3.44Å; E941-E945 WeakPolarHBondContact O-CB 3.41Å; E941-E945 PolarHBondContact O-N 3.03Å; E941-R948 IonicContact OE2-NH1 3.08Å; E941-R948 IonicContact OE2-NH2 3.93Å
942	L	98.8	Very high	98.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-60.6	-49.4	171.9	175.2	57.3	0	0	0	111	W377 V379 M886 I888 V894 I896 Y938 L940 L944 E945 C946	W377-L942 HydrophobicContact CB-CD1 4.01Å; W377-L942 HydrophobicContact CB-CD2 4.17Å; W377-L942 HydrophobicContact CB-CG 4.48Å; W377-L942 HydrophobicContact CD2-CB 3.96Å; W377-L942 HydrophobicContact CD2-CD1 3.65Å; W377-L942 HydrophobicContact CD2-CG 4.33Å; W377-L942 HydrophobicContact CE3-CD1 3.64Å; W377-L942 HydrophobicContact CG-CB 3.87Å; W377-L942 HydrophobicContact CG-CD1 3.82Å; W377-L942 HydrophobicContact CG-CD2 4.32Å; W377-L942 HydrophobicContact CG-CG 4.2Å; W377-L942 HydrophobicContact CZ3-CD1 4.36Å; V379-L942 HydrophobicContact CG2-CD1 3.84Å; M886-L942 HydrophobicContact SD-CD2 4.18Å; I888-L942 HydrophobicContact CD1-CB 4.41Å; I888-L942 HydrophobicContact CD1-CD2 3.95Å; I888-L942 HydrophobicContact CD1-CG 3.83Å; I888-L942 HydrophobicContact CG1-CD2 4.36Å; V894-L942 HydrophobicContact CG1-CD2 3.7Å; V894-L942 HydrophobicContact CG2-CD2 4.18Å; I896-L942 HydrophobicContact CD1-CD2 4.03Å; Y938-L942 HydrophobicContact CE1-CD2 4.44Å; Y938-L942 WeakPolarHBondContact O-CB 3.32Å; Y938-L942 PolarHBondContact O-N 3.35Å; L940-L942 PolarHBondContact O-N 3.43Å; L942-L944 VanDerWaalsContact C-N 3.33Å; L942-L944 PolarHBondContact O-N 3.18Å; L942-E945 PolarHBondContact O-N 2.75Å; L942-C946 PolarHBondContact O-N 2.81Å
943	R	98.8	Very high	98.1	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-61.6	-42.6	179.7	-176.3	-88	-60.9	173.3	-10.9	111.3	Y763 I888 D891 A939 L940 C946 F947 L961 S962	Y763-R943 HydrophobicContact CE2-CG 4.41Å; I888-R943 HydrophobicContact CD1-CB 3.76Å; I888-R943 HydrophobicContact CD1-CG 4.4Å; I888-R943 HydrophobicContact CG2-CB 4.47Å; D891-R943 WeakPolarHBondContact OD1-CB 3.35Å; D891-R943 IonicContact OD1-CZ 3.33Å; D891-R943 IonicContact OD1-NE 3.88Å; D891-R943 PolarHBondContact OD1-NE 3.12Å; D891-R943 IonicContact OD1-NH2 2.71Å; D891-R943 IonicContact OD2-CZ 3.61Å; D891-R943 IonicContact OD2-NE 2.73Å; D891-R943 PolarHBondContact OD2-NE 3.4Å; D891-R943 IonicContact OD2-NH2 3.18Å; D891-R943 PolarHBondContact OD2-NH2 3.37Å; A939-R943 VanDerWaalsContact O-CB 3.31Å; A939-R943 WeakPolarHBondContact O-CB 3.39Å; A939-R943 PolarHBondContact O-N 2.64Å; L940-R943 PolarHBondContact O-N 3.42Å; R943-C946 PolarHBondContact O-N 3.06Å; R943-F947 HydrophobicContact CG-CE1 4.35Å; R943-F947 HydrophobicContact CG-CE2 4.44Å; R943-F947 HydrophobicContact CG-CZ 4.28Å; R943-F947 WeakPolarHBondContact O-CB 3.19Å; R943-F947 WeakPolarHBondContact O-CG 3.36Å; R943-F947 PolarHBondContact O-N 3.05Å; R943-L961 PolarHBondContact NH1-O 3.47Å; R943-S962 PolarHBondContact NH2-O 2.87Å
944	L	98.6	Very high	97.9	Very high	19 Å²	19	20.2 Å²	20.2	10%	0.099	10%	0.099	C	C	.	.	H	α-helix	trans	-62.5	-42.5	175.4	-75.6	170.1	0	0	0	111.6	L940 E941 L942 F947 R948 L961	L940-L944 HydrophobicContact CD1-CD1 3.91Å; L940-L944 HydrophobicContact CD1-CG 4.17Å; L940-L944 HydrophobicContact CG-CD1 3.88Å; L940-L944 WeakPolarHBondContact O-CB 3.29Å; L940-L944 WeakPolarHBondContact O-CG 3.05Å; L940-L944 PolarHBondContact O-N 3.48Å; E941-L944 PolarHBondContact O-N 3.44Å; L942-L944 VanDerWaalsContact C-N 3.33Å; L942-L944 PolarHBondContact O-N 3.18Å; L944-F947 PolarHBondContact O-N 2.86Å; L944-R948 WeakPolarHBondContact O-CB 3.5Å; L944-R948 WeakPolarHBondContact O-CG 3.17Å; L944-R948 PolarHBondContact O-N 3.17Å; L944-L961 HydrophobicContact CD2-CB 3.99Å; L944-L961 WeakPolarHBondContact CD2-O 3.21Å
945	E	98.6	Very high	97.6	Very high	36 Å²	36	22.3 Å²	22.3	17%	0.168	12%	0.118	C	C	.	.	H	α-helix	trans	-65.6	-42	177.9	-173.2	59.6	-159.4	0	0	112.5	W377 V379 E941 L942 R948 T949 H954	W377-E945 HydrophobicContact CH2-CB 3.47Å; W377-E945 VanDerWaalsContact CH2-CB 3.47Å; W377-E945 HydrophobicContact CH2-CG 3.62Å; W377-E945 HydrophobicContact CZ2-CB 4.22Å; W377-E945 HydrophobicContact CZ3-CB 3.94Å; W377-E945 HydrophobicContact CZ3-CG 3.78Å; V379-E945 HydrophobicContact CB-CG 4.37Å; V379-E945 HydrophobicContact CG2-CB 4.4Å; V379-E945 HydrophobicContact CG2-CG 3.98Å; E941-E945 WeakPolarHBondContact O-CB 3.41Å; E941-E945 PolarHBondContact O-N 3.03Å; L942-E945 PolarHBondContact O-N 2.75Å; E945-R948 PolarHBondContact O-N 3.18Å; E945-R948 IonicContact OE2-NH1 3.28Å; E945-T949 WeakPolarHBondContact O-CB 3.5Å; E945-T949 PolarHBondContact O-N 2.86Å; E945-T949 PolarHBondContact O-OG1 3.04Å; E945-H954 IonicContact OE1-CE1 3.93Å; E945-H954 PolarHBondContact OE1-CE1 3.34Å; E945-H954 IonicContact OE1-NE2 3.74Å; E945-H954 PolarHBondContact OE1-NE2 2.99Å; E945-H954 IonicContact OE2-CE1 2.81Å; E945-H954 PolarHBondContact OE2-CE1 3.39Å; E945-H954 IonicContact OE2-NE2 3.53Å; E945-H954 PolarHBondContact OE2-NE2 2.91Å
946	C	98.8	Very high	97.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-56.6	-51.1	170.9	-74.7	0	0	0	0	110.7	Y765 E767 L942 R943 T949 I950	Y765-C946 HydrophobicContact CE1-CB 3.87Å; E767-C946 PolarHBondContact OE1-SG 2.7Å; L942-C946 PolarHBondContact O-N 2.81Å; R943-C946 PolarHBondContact O-N 3.06Å; C946-T949 PolarHBondContact O-N 3.03Å; C946-I950 WeakPolarHBondContact O-CG1 3.22Å; C946-I950 PolarHBondContact O-N 2.9Å
947	F	98.8	Very high	96.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-64.7	-43	-178.5	-78.6	14.4	0	0	0	112.5	Y765 Y805 R943 L944 T949 I950 L951 L961 P964 F969 W974	Y765-F947 AromaticContact CD2-CE1 3.65Å; Y765-F947 HydrophobicContact CD2-CE1 3.65Å; Y765-F947 HydrophobicContact CD2-CZ 4.32Å; Y765-F947 HydrophobicContact CE2-CD1 4.35Å; Y765-F947 AromaticContact CE2-CE1 3.66Å; Y765-F947 HydrophobicContact CE2-CE1 3.66Å; Y765-F947 HydrophobicContact CG-CE1 4.23Å; Y805-F947 HydrophobicContact CE2-CZ 4.49Å; R943-F947 HydrophobicContact CG-CE1 4.35Å; R943-F947 HydrophobicContact CG-CE2 4.44Å; R943-F947 HydrophobicContact CG-CZ 4.28Å; R943-F947 WeakPolarHBondContact O-CB 3.19Å; R943-F947 WeakPolarHBondContact O-CG 3.36Å; R943-F947 PolarHBondContact O-N 3.05Å; L944-F947 PolarHBondContact O-N 2.86Å; F947-T949 VanDerWaalsContact C-N 3.27Å; F947-T949 PolarHBondContact O-N 2.91Å; F947-I950 HydrophobicContact CD1-CD1 4.28Å; F947-I950 PolarHBondContact O-N 2.75Å; F947-L951 HydrophobicContact CB-CD1 4.24Å; F947-L951 HydrophobicContact CG-CD1 4.41Å; F947-L951 WeakPolarHBondContact O-CB 3.29Å; F947-L951 PolarHBondContact O-N 2.81Å; F947-L961 HydrophobicContact CB-CD1 4.09Å; F947-L961 HydrophobicContact CB-CD2 4.18Å; F947-P964 HydrophobicContact CE2-CB 4.08Å; F947-F969 HydrophobicContact CD2-CE1 4.22Å; F947-F969 AromaticContact CD2-CE2 3.91Å; F947-F969 HydrophobicContact CD2-CE2 3.91Å; F947-F969 AromaticContact CD2-CZ 3.4Å; F947-F969 HydrophobicContact CD2-CZ 3.4Å; F947-F969 AromaticContact CE2-CE1 3.5Å; F947-F969 HydrophobicContact CE2-CE1 3.5Å; F947-F969 HydrophobicContact CE2-CE2 4.04Å; F947-F969 AromaticContact CE2-CZ 3.14Å; F947-F969 HydrophobicContact CE2-CZ 3.14Å; F947-F969 HydrophobicContact CG-CZ 4.35Å; F947-F969 HydrophobicContact CZ-CE1 4.08Å; F947-F969 AromaticContact CZ-CZ 3.92Å; F947-F969 HydrophobicContact CZ-CZ 3.92Å; F947-W974 HydrophobicContact CD1-CZ3 4.41Å; F947-W974 AromaticContact CE1-CZ3 4Å; F947-W974 HydrophobicContact CE1-CZ3 4Å; F947-W974 HydrophobicContact CZ-CZ3 4.45Å
948	R	98.2	Very high	96.7	Very high	70 Å²	70	33.3 Å²	33.3	26%	0.264	19%	0.188	S	C	.	.	H	α-helix	trans	-58.5	-41.6	174.8	-73.8	174.3	-162.8	128.2	0.9	110.9	E941 L944 E945 G952 G953 H954 L961	E941-R948 IonicContact OE2-NH1 3.08Å; E941-R948 IonicContact OE2-NH2 3.93Å; L944-R948 WeakPolarHBondContact O-CB 3.5Å; L944-R948 WeakPolarHBondContact O-CG 3.17Å; L944-R948 PolarHBondContact O-N 3.17Å; E945-R948 PolarHBondContact O-N 3.18Å; E945-R948 IonicContact OE2-NH1 3.28Å; R948-G952 CarbonylContact O-C 3.53Å; R948-G952 WeakPolarHBondContact O-CA 3.35Å; R948-G952 PolarHBondContact O-N 2.96Å; R948-G953 PolarHBondContact O-N 2.96Å; R948-H954 PolarHBondContact O-N 2.96Å; R948-L961 HydrophobicContact CB-CD1 4.25Å; R948-L961 HydrophobicContact CG-CD1 3.57Å
949	T	96.9	Very high	96.5	Very high	5 Å²	5	34.4 Å²	34.4	3%	0.031	19%	0.193	C	C	.	.	H	α-helix	trans	-67.7	-53.8	179.9	-57.9	0	0	0	0	111.4	K515 E945 C946 F947 F1030	K515-T949 HydrophobicContact CB-CG2 4.44Å; E945-T949 WeakPolarHBondContact O-CB 3.5Å; E945-T949 PolarHBondContact O-N 2.86Å; E945-T949 PolarHBondContact O-OG1 3.04Å; C946-T949 PolarHBondContact O-N 3.03Å; F947-T949 VanDerWaalsContact C-N 3.27Å; F947-T949 PolarHBondContact O-N 2.91Å; T949-F1030 HydrophobicContact CG2-CE2 4.38Å; T949-F1030 WeakPolarHBondContact O-CD2 3.38Å
950	I	98.1	Very high	96.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-80.4	-23.9	-171.4	72.4	-166.4	0	0	0	113.8	Y765 L865 C946 F947 W974 G1029 F1030 L1031	Y765-I950 HydrophobicContact CE2-CD1 4.38Å; Y765-I950 WeakPolarHBondContact OH-CD1 2.98Å; L865-I950 HydrophobicContact CD1-CG2 4.08Å; L865-I950 HydrophobicContact CD2-CB 3.95Å; L865-I950 HydrophobicContact CD2-CG2 3.8Å; C946-I950 WeakPolarHBondContact O-CG1 3.22Å; C946-I950 PolarHBondContact O-N 2.9Å; F947-I950 HydrophobicContact CD1-CD1 4.28Å; F947-I950 PolarHBondContact O-N 2.75Å; I950-W974 HydrophobicContact CD1-CH2 4.02Å; I950-W974 HydrophobicContact CD1-CZ3 3.78Å; I950-G1029 CarbonylContact O-C 3.56Å; I950-G1029 WeakPolarHBondContact O-CA 3.45Å; I950-F1030 PolarHBondContact O-N 3.18Å; I950-L1031 HydrophobicContact CD1-CD1 4.37Å; I950-L1031 PolarHBondContact O-N 3.5Å
951	L	98.3	Very high	96.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-98.9	-6.5	178.9	-60.4	168.9	0	0	0	113.3	F947 I959 L961 F969 V973 W974 T977 L1031	F947-L951 HydrophobicContact CB-CD1 4.24Å; F947-L951 HydrophobicContact CG-CD1 4.41Å; F947-L951 WeakPolarHBondContact O-CB 3.29Å; F947-L951 PolarHBondContact O-N 2.81Å; L951-I959 WeakPolarHBondContact O-CD1 3.39Å; L951-L961 HydrophobicContact CD1-CD2 3.58Å; L951-F969 HydrophobicContact CD1-CE2 3.85Å; L951-F969 HydrophobicContact CD1-CZ 3.99Å; L951-V973 HydrophobicContact CD1-CG1 4.06Å; L951-W974 HydrophobicContact CD1-CE3 4.43Å; L951-W974 HydrophobicContact CD2-CE3 4.32Å; L951-T977 HydrophobicContact CD2-CG2 4.19Å; L951-L1031 HydrophobicContact CD2-CB 4.29Å; L951-L1031 HydrophobicContact CD2-CD2 3.67Å
952	G	95.9	Very high	96.2	Very high	7 Å²	7	36 Å²	36	7%	0.072	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	21.3	-177.9	0	0	0	0	0	114.1	R948 H954 T955 D956	R948-G952 CarbonylContact O-C 3.53Å; R948-G952 WeakPolarHBondContact O-CA 3.35Å; R948-G952 PolarHBondContact O-N 2.96Å; G952-H954 PolarHBondContact O-N 3.47Å; G952-T955 PolarHBondContact O-N 2.8Å; G952-T955 VanDerWaalsContact O-N 3.07Å; G952-T955 PolarHBondContact O-OG1 2.8Å; G952-D956 PolarHBondContact O-N 3.47Å
953	G	95.9	Very high	96.2	Very high	11 Å²	11	36.5 Å²	36.5	11%	0.113	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-17.1	176.7	0	0	0	0	0	114.3	R948 T955	R948-G953 PolarHBondContact O-N 2.96Å; G953-T955 VanDerWaalsContact C-N 3.33Å
954	H	93.6	Very high	96.2	Very high	68 Å²	68	36.5 Å²	36.5	32%	0.315	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-28.3	170.8	-77	-65.8	0	0	0	113.3	E945 R948 G952	E945-H954 IonicContact OE1-CE1 3.93Å; E945-H954 PolarHBondContact OE1-CE1 3.34Å; E945-H954 IonicContact OE1-NE2 3.74Å; E945-H954 PolarHBondContact OE1-NE2 2.99Å; E945-H954 IonicContact OE2-CE1 2.81Å; E945-H954 PolarHBondContact OE2-CE1 3.39Å; E945-H954 IonicContact OE2-NE2 3.53Å; E945-H954 PolarHBondContact OE2-NE2 2.91Å; R948-H954 PolarHBondContact O-N 2.96Å; G952-H954 PolarHBondContact O-N 3.47Å
955	T	90.9	Very high	96.2	Very high	131 Å²	131	35.6 Å²	35.6	80%	0.804	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.4	-25.3	-179	53.1	0	0	0	0	112.5	G952 G953	G952-T955 PolarHBondContact O-N 2.8Å; G952-T955 VanDerWaalsContact O-N 3.07Å; G952-T955 PolarHBondContact O-OG1 2.8Å; G953-T955 VanDerWaalsContact C-N 3.33Å
956	D	91.9	Very high	96.2	Very high	34 Å²	34	35 Å²	35	18%	0.182	21%	0.206	C	C	.	.			trans	-124.9	95	179.6	-175.9	0.9	0	0	0	110.8	G952 S958 I959 R1028	G952-D956 PolarHBondContact O-N 3.47Å; D956-S958 PolarHBondContact O-N 3.23Å; D956-S958 VanDerWaalsContact OD1-CB 3.29Å; D956-S958 WeakPolarHBondContact OD1-CB 3.37Å; D956-S958 PolarHBondContact OD1-N 2.82Å; D956-S958 VanDerWaalsContact OD1-N 3.08Å; D956-S958 PolarHBondContact OD1-OG 3.45Å; D956-S958 PolarHBondContact OD2-OG 2.9Å; D956-I959 HydrophobicContact CB-CD1 3.98Å; D956-I959 HydrophobicContact CB-CG1 4.15Å; D956-I959 WeakPolarHBondContact O-CG1 3.38Å; D956-I959 PolarHBondContact O-N 2.82Å; D956-R1028 IonicContact OD2-CZ 3.32Å; D956-R1028 VanDerWaalsContact OD2-CZ 3.25Å; D956-R1028 IonicContact OD2-NE 2.63Å; D956-R1028 IonicContact OD2-NH1 2.75Å; D956-R1028 PolarHBondContact OD2-NH1 3.49Å
957	T	90.6	Very high	96.1	Very high	135 Å²	135	37.7 Å²	37.7	83%	0.828	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-3.8	-180	60.9	0	0	0	0	113.4
958	S	93.5	Very high	96.1	Very high	86 Å²	86	44.4 Å²	44.4	60%	0.601	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-13.7	174.9	75.2	0	0	0	0	112.9	D956 D960	D956-S958 PolarHBondContact O-N 3.23Å; D956-S958 VanDerWaalsContact OD1-CB 3.29Å; D956-S958 WeakPolarHBondContact OD1-CB 3.37Å; D956-S958 PolarHBondContact OD1-N 2.82Å; D956-S958 VanDerWaalsContact OD1-N 3.08Å; D956-S958 PolarHBondContact OD1-OG 3.45Å; D956-S958 PolarHBondContact OD2-OG 2.9Å; S958-D960 PolarHBondContact O-N 2.89Å
959	I	94.9	Very high	96.1	Very high	24 Å²	24	41.2 Å²	41.2	12%	0.123	23%	0.234	C	C	.	.	S	Bend	trans	-75	110.8	177.3	-53.9	176.3	0	0	0	108.7	L951 D956 L961 V973	L951-I959 WeakPolarHBondContact O-CD1 3.39Å; D956-I959 HydrophobicContact CB-CD1 3.98Å; D956-I959 HydrophobicContact CB-CG1 4.15Å; D956-I959 WeakPolarHBondContact O-CG1 3.38Å; D956-I959 PolarHBondContact O-N 2.82Å; I959-L961 HydrophobicContact CG2-CD2 3.55Å; I959-L961 HydrophobicContact CG2-CG 4.08Å; I959-L961 PolarHBondContact O-N 3.46Å; I959-V973 HydrophobicContact CG2-CG1 3.58Å
960	D	95.9	Very high	96.2	Very high	69 Å²	69	41.1 Å²	41.1	37%	0.369	23%	0.233	S	C	.	.			trans	-75.6	113.1	174	-175.1	3.3	0	0	0	110.2	S958 S962 R968	S958-D960 PolarHBondContact O-N 2.89Å; D960-S962 PolarHBondContact OD1-N 2.81Å; D960-S962 PolarHBondContact OD1-OG 2.87Å; D960-S962 VanDerWaalsContact OD1-OG 3.09Å; D960-R968 IonicContact OD2-NH1 2.85Å; D960-R968 PolarHBondContact OD2-NH1 2.84Å
961	L	97	Very high	96.1	Very high	13 Å²	13	45.7 Å²	45.7	7%	0.068	25%	0.253	C	S	.	.			trans	-110.3	4.5	-178.9	-58.9	178.5	0	0	0	112	R943 L944 F947 R948 L951 I959 F969	R943-L961 PolarHBondContact NH1-O 3.47Å; L944-L961 HydrophobicContact CD2-CB 3.99Å; L944-L961 WeakPolarHBondContact CD2-O 3.21Å; F947-L961 HydrophobicContact CB-CD1 4.09Å; F947-L961 HydrophobicContact CB-CD2 4.18Å; R948-L961 HydrophobicContact CB-CD1 4.25Å; R948-L961 HydrophobicContact CG-CD1 3.57Å; L951-L961 HydrophobicContact CD1-CD2 3.58Å; I959-L961 HydrophobicContact CG2-CD2 3.55Å; I959-L961 HydrophobicContact CG2-CG 4.08Å; I959-L961 PolarHBondContact O-N 3.46Å; L961-F969 HydrophobicContact CD2-CD2 4.49Å; L961-F969 HydrophobicContact CD2-CE2 3.77Å
962	S	96.6	Very high	96.1	Very high	48 Å²	48	51.7 Å²	51.7	34%	0.336	28%	0.281	S	S	.	.	S	Bend	trans	-68.3	-43.5	-169.5	66.2	0	0	0	0	112.7	R943 D960 P964	R943-S962 PolarHBondContact NH2-O 2.87Å; D960-S962 PolarHBondContact OD1-N 2.81Å; D960-S962 PolarHBondContact OD1-OG 2.87Å; D960-S962 VanDerWaalsContact OD1-OG 3.09Å; S962-P964 WeakPolarHBondContact O-CD 3.46Å
963	D	98.4	Very high	96.2	Very high	10 Å²	10	52.5 Å²	52.5	5%	0.053	28%	0.284	C	S	.	.			trans	-103.1	106.5	-175	-175.1	-26.1	0	0	0	111.8	V927 D929 G930 V965 S966 F969	V927-D963 HydrophobicContact CB-CB 4.43Å; V927-D963 HydrophobicContact CG1-CB 4.09Å; D929-D963 WeakPolarHBondContact CA-OD2 3.38Å; D929-D963 VanDerWaalsContact N-CG 3.32Å; D929-D963 PolarHBondContact N-OD1 2.99Å; D929-D963 VanDerWaalsContact N-OD1 3.13Å; D929-D963 PolarHBondContact N-OD2 2.73Å; G930-D963 PolarHBondContact N-OD2 3.23Å; D963-V965 VanDerWaalsContact C-N 3.27Å; D963-V965 PolarHBondContact O-N 3.46Å; D963-V965 WeakPolarHBondContact OD1-CG2 3.43Å; D963-V965 PolarHBondContact OD1-N 3.38Å; D963-S966 PolarHBondContact OD1-N 3.05Å; D963-F969 WeakPolarHBondContact O-CB 3.41Å; D963-F969 WeakPolarHBondContact O-CG 3.36Å
964	P	98.3	Very high	96.3	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.279	C	S	.	.	S	Bend	trans	-79.9	-0.1	-173.4	33.7	-36	0	0	0	113.9	Y763 Y805 M928 F947 S962	Y763-P964 HydrophobicContact CD1-CB 4.24Å; Y763-P964 HydrophobicContact CD1-CG 3.75Å; Y763-P964 HydrophobicContact CE1-CB 4.14Å; Y763-P964 HydrophobicContact CE1-CG 3.51Å; Y763-P964 HydrophobicContact CG-CG 4.49Å; Y805-P964 WeakPolarHBondContact CE2-O 3.26Å; Y805-P964 PolarHBondContact OH-O 3.08Å; M928-P964 HydrophobicContact CE-CG 4.04Å; M928-P964 HydrophobicContact SD-CG 3.86Å; F947-P964 HydrophobicContact CE2-CB 4.08Å; S962-P964 WeakPolarHBondContact O-CD 3.46Å
965	V	98.6	Very high	96.6	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.006	28%	0.277	C	S	.	.	S	Bend	trans	-125	-18.4	-175.5	-63.8	0	0	0	0	114.8	H762 Y763 K801 R803 M928 D929 D963	H762-V965 HydrophobicContact CB-CG1 4.22Å; H762-V965 WeakPolarHBondContact O-CG1 3.45Å; Y763-V965 HydrophobicContact CD1-CG1 4Å; Y763-V965 HydrophobicContact CG-CG1 4.16Å; K801-V965 VanDerWaalsContact CD-O 3.3Å; K801-V965 WeakPolarHBondContact CD-O 3.38Å; R803-V965 HydrophobicContact CB-CG1 4.45Å; R803-V965 HydrophobicContact CG-CB 4.07Å; R803-V965 HydrophobicContact CG-CG1 4.01Å; R803-V965 PolarHBondContact NE-O 3.23Å; R803-V965 PolarHBondContact NH2-O 3.04Å; R803-V965 VanDerWaalsContact NH2-O 3.13Å; M928-V965 HydrophobicContact CG-CG2 3.97Å; M928-V965 HydrophobicContact SD-CB 4.43Å; M928-V965 HydrophobicContact SD-CG1 3.94Å; M928-V965 HydrophobicContact SD-CG2 3.64Å; D929-V965 HydrophobicContact CB-CG2 3.8Å; D929-V965 VanDerWaalsContact N-CG2 3.3Å; D963-V965 VanDerWaalsContact C-N 3.27Å; D963-V965 PolarHBondContact O-N 3.46Å; D963-V965 WeakPolarHBondContact OD1-CG2 3.43Å; D963-V965 PolarHBondContact OD1-N 3.38Å
966	S	98.4	Very high	96.9	Very high	22 Å²	22	48.6 Å²	48.6	15%	0.154	26%	0.26	C	S	.	.	S	Bend	trans	-50.7	147.6	178.1	70.5	0	0	0	0	112.3	D963 R968 F969 Y970	D963-S966 PolarHBondContact OD1-N 3.05Å; S966-R968 PolarHBondContact O-N 3.48Å; S966-F969 PolarHBondContact O-N 3.24Å; S966-F969 VanDerWaalsContact OG-CB 3.27Å; S966-F969 WeakPolarHBondContact OG-CB 3.49Å; S966-F969 PolarHBondContact OG-N 3.33Å; S966-F969 VanDerWaalsContact OG-N 3.1Å; S966-Y970 WeakPolarHBondContact O-CB 3.36Å; S966-Y970 PolarHBondContact O-N 3.08Å
967	D	98	Very high	97.2	Very high	58 Å²	58	47.3 Å²	47.3	31%	0.31	25%	0.253	S	S	.	.	H	α-helix	trans	-63.4	-33.5	176.7	-74.2	-63.6	0	0	0	112	K801 R803 K971	K801-D967 IonicContact NZ-OD2 2.75Å; K801-D967 PolarHBondContact NZ-OD2 3.46Å; R803-D967 IonicContact CZ-OD1 3.12Å; R803-D967 IonicContact NH1-OD1 3.91Å; R803-D967 IonicContact NH2-OD1 3.71Å; R803-D967 PolarHBondContact NH2-OD1 3.35Å; R803-D967 IonicContact NH2-OD2 3.62Å; D967-K971 HydrophobicContact CB-CD 4.37Å; D967-K971 VanDerWaalsContact O-CB 3.24Å; D967-K971 WeakPolarHBondContact O-CB 3.36Å; D967-K971 WeakPolarHBondContact O-CG 3.16Å; D967-K971 PolarHBondContact O-N 3.41Å; D967-K971 WeakPolarHBondContact OD1-CE 3.27Å; D967-K971 IonicContact OD1-NZ 3.36Å; D967-K971 PolarHBondContact OD1-NZ 2.64Å
968	R	97.5	Very high	97.6	Very high	140 Å²	140	40.9 Å²	40.9	53%	0.528	21%	0.214	S	C	.	.	I	π-helix	trans	-58.5	-54.1	173.9	-176.1	-178	176.3	-149	-3.5	110.6	D960 S966 E972 V973	D960-R968 IonicContact OD2-NH1 2.85Å; D960-R968 PolarHBondContact OD2-NH1 2.84Å; S966-R968 PolarHBondContact O-N 3.48Å; R968-E972 WeakPolarHBondContact O-CA 3.35Å; R968-E972 WeakPolarHBondContact O-CB 3.3Å; R968-E972 PolarHBondContact O-N 3.41Å; R968-V973 PolarHBondContact O-N 3.33Å
969	F	98.6	Very high	97.8	Very high	4 Å²	4	37.6 Å²	37.6	2%	0.018	19%	0.193	C	C	.	.	I	π-helix	trans	-62	-52.7	177.5	175.9	-99.9	0	0	0	111.5	Y805 F947 L951 L961 D963 S966 K971 V973 W974	Y805-F969 HydrophobicContact CE1-CE1 4.3Å; Y805-F969 AromaticContact CZ-CE1 3.92Å; Y805-F969 WeakPolarHBondContact OH-CE1 3.31Å; F947-F969 HydrophobicContact CD2-CE1 4.22Å; F947-F969 AromaticContact CD2-CE2 3.91Å; F947-F969 HydrophobicContact CD2-CE2 3.91Å; F947-F969 AromaticContact CD2-CZ 3.4Å; F947-F969 HydrophobicContact CD2-CZ 3.4Å; F947-F969 AromaticContact CE2-CE1 3.5Å; F947-F969 HydrophobicContact CE2-CE1 3.5Å; F947-F969 HydrophobicContact CE2-CE2 4.04Å; F947-F969 AromaticContact CE2-CZ 3.14Å; F947-F969 HydrophobicContact CE2-CZ 3.14Å; F947-F969 HydrophobicContact CG-CZ 4.35Å; F947-F969 HydrophobicContact CZ-CE1 4.08Å; F947-F969 AromaticContact CZ-CZ 3.92Å; F947-F969 HydrophobicContact CZ-CZ 3.92Å; L951-F969 HydrophobicContact CD1-CE2 3.85Å; L951-F969 HydrophobicContact CD1-CZ 3.99Å; L961-F969 HydrophobicContact CD2-CD2 4.49Å; L961-F969 HydrophobicContact CD2-CE2 3.77Å; D963-F969 WeakPolarHBondContact O-CB 3.41Å; D963-F969 WeakPolarHBondContact O-CG 3.36Å; S966-F969 PolarHBondContact O-N 3.24Å; S966-F969 VanDerWaalsContact OG-CB 3.27Å; S966-F969 WeakPolarHBondContact OG-CB 3.49Å; S966-F969 PolarHBondContact OG-N 3.33Å; S966-F969 VanDerWaalsContact OG-N 3.1Å; F969-K971 PolarHBondContact O-N 2.89Å; F969-V973 HydrophobicContact CD2-CB 4.08Å; F969-V973 HydrophobicContact CD2-CG1 4.26Å; F969-V973 HydrophobicContact CD2-CG2 4.46Å; F969-V973 HydrophobicContact CE2-CB 4.39Å; F969-V973 HydrophobicContact CE2-CG1 4.14Å; F969-V973 WeakPolarHBondContact O-CA 3.47Å; F969-V973 VanDerWaalsContact O-CB 3.29Å; F969-V973 WeakPolarHBondContact O-CB 3.46Å; F969-V973 PolarHBondContact O-N 3.4Å; F969-V973 VanDerWaalsContact O-N 3.15Å; F969-W974 HydrophobicContact CE1-CB 4.39Å; F969-W974 HydrophobicContact CZ-CE3 4.29Å; F969-W974 PolarHBondContact O-N 3.17Å
970	Y	98.6	Very high	98	Very high	3 Å²	3	40 Å²	40	1%	0.012	20%	0.201	C	C	.	.	I	π-helix	trans	-62.1	-47.6	-174	-174.5	-104.3	0	0	0	112.6	R803 Y805 M857 I860 S966 W974 M975	R803-Y970 HydrophobicContact CG-CD2 4.2Å; Y805-Y970 HydrophobicContact CD1-CE2 4.46Å; Y805-Y970 AromaticContact CE1-CD2 3.56Å; Y805-Y970 HydrophobicContact CE1-CD2 3.56Å; Y805-Y970 AromaticContact CE1-CE2 3.77Å; Y805-Y970 HydrophobicContact CE1-CE2 3.77Å; Y805-Y970 AromaticContact CZ-CD2 3.84Å; Y805-Y970 WeakPolarHBondContact OH-CD2 3.48Å; M857-Y970 VanDerWaalsContact O-CE1 3.31Å; M857-Y970 WeakPolarHBondContact O-CE1 3Å; M857-Y970 PolarHBondContact O-OH 3.43Å; I860-Y970 PolarHBondContact O-OH 3.27Å; S966-Y970 WeakPolarHBondContact O-CB 3.36Å; S966-Y970 PolarHBondContact O-N 3.08Å; Y970-W974 WeakPolarHBondContact O-CB 3.36Å; Y970-M975 HydrophobicContact CD1-CG 4.36Å; Y970-M975 HydrophobicContact CE1-CG 4.1Å; Y970-M975 WeakPolarHBondContact O-CB 3.38Å; Y970-M975 WeakPolarHBondContact O-CG 3.44Å; Y970-M975 PolarHBondContact O-N 3.43Å
971	K	97.7	Very high	98.1	Very high	95 Å²	95	36.7 Å²	36.7	41%	0.413	18%	0.183	S	C	.	.	I	π-helix	trans	-87	-50.2	-173.6	-59.5	178	179.2	172.1	0	111.8	D967 F969 T976	D967-K971 HydrophobicContact CB-CD 4.37Å; D967-K971 VanDerWaalsContact O-CB 3.24Å; D967-K971 WeakPolarHBondContact O-CB 3.36Å; D967-K971 WeakPolarHBondContact O-CG 3.16Å; D967-K971 PolarHBondContact O-N 3.41Å; D967-K971 WeakPolarHBondContact OD1-CE 3.27Å; D967-K971 IonicContact OD1-NZ 3.36Å; D967-K971 PolarHBondContact OD1-NZ 2.64Å; F969-K971 PolarHBondContact O-N 2.89Å; K971-T976 PolarHBondContact O-N 3.42Å; K971-T976 VanDerWaalsContact O-N 3.17Å; K971-T976 PolarHBondContact O-OG1 3.35Å
972	E	97.2	Very high	98.2	Very high	127 Å²	127	37.4 Å²	37.4	59%	0.593	19%	0.191	S	C	*	.	I	π-helix	trans	-85.9	-24	-170	-52.6	175.6	-162.8	0	0	113.1	R968 T976	R968-E972 WeakPolarHBondContact O-CA 3.35Å; R968-E972 WeakPolarHBondContact O-CB 3.3Å; R968-E972 PolarHBondContact O-N 3.41Å; E972-T976 VanDerWaalsContact O-CB 3.31Å; E972-T976 WeakPolarHBondContact O-CB 3.41Å
973	V	98.2	Very high	98.3	Very high	23 Å²	23	39.4 Å²	39.4	14%	0.139	20%	0.201	C	C	.	.	I	π-helix	trans	-102.5	-65.3	176.8	-176.4	0	0	0	0	110.7	L951 I959 R968 F969 T977	L951-V973 HydrophobicContact CD1-CG1 4.06Å; I959-V973 HydrophobicContact CG2-CG1 3.58Å; R968-V973 PolarHBondContact O-N 3.33Å; F969-V973 HydrophobicContact CD2-CB 4.08Å; F969-V973 HydrophobicContact CD2-CG1 4.26Å; F969-V973 HydrophobicContact CD2-CG2 4.46Å; F969-V973 HydrophobicContact CE2-CB 4.39Å; F969-V973 HydrophobicContact CE2-CG1 4.14Å; F969-V973 WeakPolarHBondContact O-CA 3.47Å; F969-V973 VanDerWaalsContact O-CB 3.29Å; F969-V973 WeakPolarHBondContact O-CB 3.46Å; F969-V973 PolarHBondContact O-N 3.4Å; F969-V973 VanDerWaalsContact O-N 3.15Å; V973-T977 WeakPolarHBondContact O-CB 3.27Å; V973-T977 PolarHBondContact O-N 2.92Å; V973-T977 PolarHBondContact O-OG1 2.92Å
974	W	98.7	Very high	98.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.201	C	C	.	.	I	π-helix	trans	-66.1	-63.7	-171.8	179	-84	0	0	0	112.5	Y765 Y805 V807 S861 A863 F947 I950 L951 F969 Y970 T976 T977 A978 L1031	Y765-W974 HydrophobicContact CE2-CH2 4Å; Y765-W974 HydrophobicContact CE2-CZ3 4.31Å; Y805-W974 AromaticContact CD1-CD2 3.67Å; Y805-W974 HydrophobicContact CD1-CD2 3.67Å; Y805-W974 AromaticContact CD1-CE2 3.5Å; Y805-W974 VanDerWaalsContact CD1-CE2 3.5Å; Y805-W974 HydrophobicContact CD1-CE3 4.04Å; Y805-W974 HydrophobicContact CD1-CG 4.17Å; Y805-W974 HydrophobicContact CD1-CH2 4.12Å; Y805-W974 AromaticContact CD1-CZ2 3.76Å; Y805-W974 HydrophobicContact CD1-CZ2 3.76Å; Y805-W974 HydrophobicContact CD1-CZ3 4.23Å; Y805-W974 AromaticContact CD1-NE1 3.84Å; Y805-W974 HydrophobicContact CE1-CB 4.48Å; Y805-W974 AromaticContact CE1-CD2 3.78Å; Y805-W974 HydrophobicContact CE1-CD2 3.78Å; Y805-W974 HydrophobicContact CE1-CE3 4.17Å; Y805-W974 AromaticContact CE1-CG 3.88Å; Y805-W974 HydrophobicContact CE1-CG 3.88Å; Y805-W974 HydrophobicContact CG-CH2 4.48Å; Y805-W974 HydrophobicContact CG-CZ2 4.39Å; V807-W974 HydrophobicContact CG2-CH2 3.79Å; V807-W974 HydrophobicContact CG2-CZ2 4.22Å; S861-W974 PolarHBondContact OG-NE1 2.99Å; A863-W974 HydrophobicContact CB-CZ2 4.18Å; F947-W974 HydrophobicContact CD1-CZ3 4.41Å; F947-W974 AromaticContact CE1-CZ3 4Å; F947-W974 HydrophobicContact CE1-CZ3 4Å; F947-W974 HydrophobicContact CZ-CZ3 4.45Å; I950-W974 HydrophobicContact CD1-CH2 4.02Å; I950-W974 HydrophobicContact CD1-CZ3 3.78Å; L951-W974 HydrophobicContact CD1-CE3 4.43Å; L951-W974 HydrophobicContact CD2-CE3 4.32Å; F969-W974 HydrophobicContact CE1-CB 4.39Å; F969-W974 HydrophobicContact CZ-CE3 4.29Å; F969-W974 PolarHBondContact O-N 3.17Å; Y970-W974 WeakPolarHBondContact O-CB 3.36Å; W974-T976 PolarHBondContact O-N 3.2Å; W974-T977 PolarHBondContact O-N 3.09Å; W974-A978 WeakPolarHBondContact O-CB 3.07Å; W974-A978 PolarHBondContact O-N 3.4Å; W974-L1031 HydrophobicContact CD2-CD2 3.63Å; W974-L1031 HydrophobicContact CE3-CD2 3.79Å; W974-L1031 HydrophobicContact CG-CD2 4.2Å; W974-L1031 HydrophobicContact CH2-CD1 3.79Å; W974-L1031 HydrophobicContact CH2-CD2 3.99Å; W974-L1031 HydrophobicContact CZ2-CD1 3.89Å; W974-L1031 HydrophobicContact CZ2-CD2 3.85Å; W974-L1031 HydrophobicContact CZ2-CG 4.49Å; W974-L1031 HydrophobicContact CZ3-CD1 4.37Å; W974-L1031 HydrophobicContact CZ3-CD2 3.98Å
975	M	98.4	Very high	98.3	Very high	56 Å²	56	39.6 Å²	39.6	28%	0.276	20%	0.202	S	C	.	.	I	π-helix	trans	-64.7	-41.4	-176	-68.8	-62.1	-70.5	0	0	112	S861 Y970 A978 G979	S861-M975 PolarHBondContact OG-SD 2.94Å; Y970-M975 HydrophobicContact CD1-CG 4.36Å; Y970-M975 HydrophobicContact CE1-CG 4.1Å; Y970-M975 WeakPolarHBondContact O-CB 3.38Å; Y970-M975 WeakPolarHBondContact O-CG 3.44Å; Y970-M975 PolarHBondContact O-N 3.43Å; M975-A978 PolarHBondContact O-N 3.32Å; M975-G979 PolarHBondContact O-N 3.32Å
976	T	98	Very high	98.2	Very high	72 Å²	72	41.9 Å²	41.9	44%	0.442	21%	0.212	S	C	.	.	H	α-helix	trans	-63.3	-42.7	177.7	-64	0	0	0	0	111.9	K971 E972 W974 R980	K971-T976 PolarHBondContact O-N 3.42Å; K971-T976 VanDerWaalsContact O-N 3.17Å; K971-T976 PolarHBondContact O-OG1 3.35Å; E972-T976 VanDerWaalsContact O-CB 3.31Å; E972-T976 WeakPolarHBondContact O-CB 3.41Å; W974-T976 PolarHBondContact O-N 3.2Å; T976-R980 WeakPolarHBondContact O-CB 3.42Å; T976-R980 PolarHBondContact O-N 3.05Å
977	T	98.4	Very high	98.1	Very high	7 Å²	7	45 Å²	45	4%	0.043	22%	0.223	C	C	.	.	H	α-helix	trans	-65.9	-47.3	177.1	-63.6	0	0	0	0	111.1	L951 V973 W974 G979 R980 N981 R1028	L951-T977 HydrophobicContact CD2-CG2 4.19Å; V973-T977 WeakPolarHBondContact O-CB 3.27Å; V973-T977 PolarHBondContact O-N 2.92Å; V973-T977 PolarHBondContact O-OG1 2.92Å; W974-T977 PolarHBondContact O-N 3.09Å; T977-G979 PolarHBondContact O-N 3.38Å; T977-R980 PolarHBondContact O-N 2.88Å; T977-R980 PolarHBondContact OG1-NH2 3.46Å; T977-N981 WeakPolarHBondContact CG2-ND2 3.45Å; T977-N981 VanDerWaalsContact O-CB 3.27Å; T977-N981 WeakPolarHBondContact O-CB 3.35Å; T977-N981 PolarHBondContact O-N 3.2Å; T977-R1028 WeakPolarHBondContact CG2-O 3.48Å
978	A	98.6	Very high	98.2	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.008	21%	0.209	C	C	.	.	H	α-helix	trans	-58.2	-47.2	178.9	0	0	0	0	0	112.1	W974 M975 A982 L1031 Q1033	W974-A978 WeakPolarHBondContact O-CB 3.07Å; W974-A978 PolarHBondContact O-N 3.4Å; M975-A978 PolarHBondContact O-N 3.32Å; A978-A982 VanDerWaalsContact O-CB 3.32Å; A978-A982 WeakPolarHBondContact O-CB 3.5Å; A978-A982 PolarHBondContact O-N 2.91Å; A978-A982 VanDerWaalsContact O-N 3.13Å; A978-L1031 HydrophobicContact CB-CD2 3.97Å; A978-L1031 HydrophobicContact CB-CG 4.12Å; A978-Q1033 HydrophobicContact CB-CB 4.21Å; A978-Q1033 PolarHBondContact O-N 3.37Å
979	G	98.3	Very high	98.1	Very high	16 Å²	16	37 Å²	37	17%	0.165	19%	0.189	C	C	.	.	H	α-helix	trans	-67.5	-50.2	178.7	0	0	0	0	0	112.7	M975 T977 N981 A982 T983	M975-G979 PolarHBondContact O-N 3.32Å; T977-G979 PolarHBondContact O-N 3.38Å; G979-N981 VanDerWaalsContact C-N 3.35Å; G979-N981 PolarHBondContact O-N 3.18Å; G979-A982 PolarHBondContact O-N 2.78Å; G979-T983 PolarHBondContact O-N 3.36Å; G979-T983 PolarHBondContact O-OG1 3.42Å; G979-T983 VanDerWaalsContact O-OG1 3.11Å
980	R	98.4	Very high	98.1	Very high	75 Å²	75	39.9 Å²	39.9	28%	0.283	20%	0.2	S	C	.	.	H	α-helix	trans	-55.2	-50	178.1	177.3	-174.9	64.5	-142.7	-10	111.3	T976 T977 T983 I984 K1026	T976-R980 WeakPolarHBondContact O-CB 3.42Å; T976-R980 PolarHBondContact O-N 3.05Å; T977-R980 PolarHBondContact O-N 2.88Å; T977-R980 PolarHBondContact OG1-NH2 3.46Å; R980-T983 PolarHBondContact O-N 2.95Å; R980-I984 HydrophobicContact CG-CD1 3.73Å; R980-I984 WeakPolarHBondContact O-CG1 3.11Å; R980-I984 PolarHBondContact O-N 3.1Å; R980-K1026 PolarHBondContact NE-O 3.11Å
981	N	98.7	Very high	97.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-65.1	-43.5	-177.1	-70.2	-6.2	0	0	0	111.2	T977 G979 T983 I984 Y985 I1027 R1028 L1031 V1032	T977-N981 WeakPolarHBondContact CG2-ND2 3.45Å; T977-N981 VanDerWaalsContact O-CB 3.27Å; T977-N981 WeakPolarHBondContact O-CB 3.35Å; T977-N981 PolarHBondContact O-N 3.2Å; G979-N981 VanDerWaalsContact C-N 3.35Å; G979-N981 PolarHBondContact O-N 3.18Å; N981-T983 PolarHBondContact O-N 3.23Å; N981-I984 PolarHBondContact O-N 2.85Å; N981-Y985 HydrophobicContact CB-CD2 4.41Å; N981-Y985 HydrophobicContact CB-CE2 4.38Å; N981-Y985 WeakPolarHBondContact O-CD2 3.41Å; N981-Y985 PolarHBondContact O-N 3.02Å; N981-I1027 HydrophobicContact CB-CD1 3.92Å; N981-R1028 PolarHBondContact ND2-O 2.74Å; N981-R1028 PolarHBondContact OD1-N 2.88Å; N981-L1031 VanDerWaalsContact CB-O 3.29Å; N981-L1031 WeakPolarHBondContact CB-O 3.47Å; N981-L1031 PolarHBondContact ND2-O 3.43Å; N981-V1032 HydrophobicContact CB-CG1 3.83Å
982	A	98.6	Very high	97.8	Very high	27 Å²	27	37 Å²	37	22%	0.223	19%	0.191	C	C	.	.	H	α-helix	trans	-58.2	-48.1	176.6	0	0	0	0	0	111.7	A978 G979 I984 Y985 E986 V1032 Q1033	A978-A982 VanDerWaalsContact O-CB 3.32Å; A978-A982 WeakPolarHBondContact O-CB 3.5Å; A978-A982 PolarHBondContact O-N 2.91Å; A978-A982 VanDerWaalsContact O-N 3.13Å; G979-A982 PolarHBondContact O-N 2.78Å; A982-I984 PolarHBondContact O-N 3.14Å; A982-Y985 PolarHBondContact O-N 2.81Å; A982-E986 WeakPolarHBondContact O-CB 3.38Å; A982-E986 PolarHBondContact O-N 3.43Å; A982-V1032 HydrophobicContact CB-CB 4.28Å; A982-Q1033 HydrophobicContact CB-CB 4.21Å
983	T	98.4	Very high	97.8	Very high	90 Å²	90	31.5 Å²	31.5	55%	0.552	17%	0.166	S	C	*	.	H	α-helix	trans	-60.7	-42.9	177.7	-57.8	0	0	0	0	112.4	G979 R980 N981 K987	G979-T983 PolarHBondContact O-N 3.36Å; G979-T983 PolarHBondContact O-OG1 3.42Å; G979-T983 VanDerWaalsContact O-OG1 3.11Å; R980-T983 PolarHBondContact O-N 2.95Å; N981-T983 PolarHBondContact O-N 3.23Å; T983-K987 VanDerWaalsContact O-CB 3.26Å; T983-K987 WeakPolarHBondContact O-CB 3.37Å; T983-K987 PolarHBondContact O-N 3.4Å
984	I	98.6	Very high	97.7	Very high	11 Å²	11	30.5 Å²	30.5	6%	0.056	16%	0.16	C	C	.	.	H	α-helix	trans	-65.7	-47.7	178.8	-69.4	164.7	0	0	0	110.6	R980 N981 A982 E986 K987 V988 E1023 L1024 K1026 I1027	R980-I984 HydrophobicContact CG-CD1 3.73Å; R980-I984 WeakPolarHBondContact O-CG1 3.11Å; R980-I984 PolarHBondContact O-N 3.1Å; N981-I984 PolarHBondContact O-N 2.85Å; A982-I984 PolarHBondContact O-N 3.14Å; I984-E986 VanDerWaalsContact C-N 3.33Å; I984-E986 PolarHBondContact O-N 2.96Å; I984-K987 PolarHBondContact O-N 2.68Å; I984-V988 HydrophobicContact CG2-CG2 4.09Å; I984-V988 WeakPolarHBondContact O-CB 3.42Å; I984-V988 VanDerWaalsContact O-CG2 3.31Å; I984-V988 WeakPolarHBondContact O-CG2 3.45Å; I984-V988 PolarHBondContact O-N 3.22Å; I984-E1023 HydrophobicContact CG2-CB 4.24Å; I984-L1024 HydrophobicContact CG2-CD2 4.17Å; I984-K1026 HydrophobicContact CD1-CB 3.74Å; I984-I1027 HydrophobicContact CB-CD1 3.69Å; I984-I1027 HydrophobicContact CB-CG1 4.5Å; I984-I1027 HydrophobicContact CD1-CD1 3.91Å; I984-I1027 HydrophobicContact CD1-CG1 4.43Å; I984-I1027 HydrophobicContact CG1-CD1 4.43Å; I984-I1027 HydrophobicContact CG2-CD1 3.63Å; I984-I1027 HydrophobicContact CG2-CG1 3.93Å
985	Y	98.6	Very high	97.6	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.016	17%	0.174	C	C	.	.	H	α-helix	trans	-61.7	-41.7	179.6	-78.3	-56.5	0	0	0	112.1	R866 T867 H868 N981 A982 F989 L1024 I1027 V1032	R866-Y985 HydrophobicContact CB-CD2 4.2Å; R866-Y985 HydrophobicContact CB-CE2 3.98Å; R866-Y985 HydrophobicContact CG-CD1 4.14Å; R866-Y985 HydrophobicContact CG-CD2 3.94Å; R866-Y985 HydrophobicContact CG-CE1 4.1Å; R866-Y985 HydrophobicContact CG-CE2 3.86Å; R866-Y985 HydrophobicContact CG-CG 4.1Å; R866-Y985 PolarHBondContact O-OH 2.89Å; T867-Y985 WeakPolarHBondContact CA-OH 3.43Å; H868-Y985 HydrophobicContact CB-CE1 3.97Å; H868-Y985 AromaticContact ND1-CE1 3.52Å; H868-Y985 AromaticContact ND1-CZ 3.7Å; H868-Y985 PolarHBondContact ND1-OH 2.94Å; N981-Y985 HydrophobicContact CB-CD2 4.41Å; N981-Y985 HydrophobicContact CB-CE2 4.38Å; N981-Y985 WeakPolarHBondContact O-CD2 3.41Å; N981-Y985 PolarHBondContact O-N 3.02Å; A982-Y985 PolarHBondContact O-N 2.81Å; Y985-F989 AromaticContact CD1-CD2 3.76Å; Y985-F989 HydrophobicContact CD1-CD2 3.76Å; Y985-F989 AromaticContact CD1-CE2 3.77Å; Y985-F989 HydrophobicContact CD1-CE2 3.77Å; Y985-F989 HydrophobicContact CE1-CD2 4.49Å; Y985-F989 HydrophobicContact CE1-CE2 4.07Å; Y985-F989 WeakPolarHBondContact O-CB 3.34Å; Y985-F989 PolarHBondContact O-N 3.16Å; Y985-L1024 HydrophobicContact CE1-CD2 4.35Å; Y985-I1027 HydrophobicContact CD2-CD1 4.15Å; Y985-I1027 HydrophobicContact CE2-CD1 3.9Å; Y985-V1032 HydrophobicContact CD2-CG1 3.64Å; Y985-V1032 HydrophobicContact CE2-CG1 3.89Å
986	E	97.1	Very high	97.6	Very high	49 Å²	49	34.6 Å²	34.6	23%	0.229	19%	0.186	C	C	.	.	H	α-helix	trans	-63.2	-43.7	175.7	-174.1	176.5	90.1	0	0	112.1	A982 I984 R990 S994 L996 F1006	A982-E986 WeakPolarHBondContact O-CB 3.38Å; A982-E986 PolarHBondContact O-N 3.43Å; I984-E986 VanDerWaalsContact C-N 3.33Å; I984-E986 PolarHBondContact O-N 2.96Å; E986-R990 WeakPolarHBondContact O-CA 3.3Å; E986-R990 WeakPolarHBondContact O-CG 3.21Å; E986-R990 PolarHBondContact O-N 2.96Å; E986-S994 WeakPolarHBondContact OE2-CB 3.32Å; E986-S994 PolarHBondContact OE2-OG 2.91Å; E986-L996 HydrophobicContact CG-CD1 4.13Å; E986-L996 WeakPolarHBondContact OE1-CD1 3.28Å; E986-L996 WeakPolarHBondContact OE1-CG 3.41Å; E986-F1006 HydrophobicContact CG-CZ 4.29Å
987	K	96.7	Very high	97.5	Very high	88 Å²	88	31.1 Å²	31.1	38%	0.383	17%	0.165	S	C	.	.	H	α-helix	trans	-65.5	-44.9	177.7	-174.3	-174.2	-177.4	179.9	0	112.3	T983 I984 L1012 E1023	T983-K987 VanDerWaalsContact O-CB 3.26Å; T983-K987 WeakPolarHBondContact O-CB 3.37Å; T983-K987 PolarHBondContact O-N 3.4Å; I984-K987 PolarHBondContact O-N 2.68Å; K987-L1012 HydrophobicContact CD-CD1 4.09Å; K987-L1012 HydrophobicContact CG-CD1 3.78Å; K987-L1012 HydrophobicContact CG-CG 4.5Å; K987-E1023 IonicContact NZ-OE1 3.67Å; K987-E1023 PolarHBondContact NZ-OE1 2.87Å
988	V	98.1	Very high	97.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-77.9	-48	-173.1	173.8	0	0	0	0	111.6	I984 G1011 L1012 A1013 A1020 E1023 L1024	I984-V988 HydrophobicContact CG2-CG2 4.09Å; I984-V988 WeakPolarHBondContact O-CB 3.42Å; I984-V988 VanDerWaalsContact O-CG2 3.31Å; I984-V988 WeakPolarHBondContact O-CG2 3.45Å; I984-V988 PolarHBondContact O-N 3.22Å; V988-G1011 CarbonylContact O-C 3.6Å; V988-L1012 PolarHBondContact O-N 3.17Å; V988-A1013 HydrophobicContact CG1-CB 4.02Å; V988-A1013 WeakPolarHBondContact O-CB 3.31Å; V988-A1013 PolarHBondContact O-N 3.18Å; V988-A1020 HydrophobicContact CG1-CB 3.84Å; V988-E1023 HydrophobicContact CG2-CB 3.78Å; V988-E1023 HydrophobicContact CG2-CG 4.49Å; V988-L1024 HydrophobicContact CB-CD2 4.35Å; V988-L1024 HydrophobicContact CG1-CD1 4.07Å; V988-L1024 HydrophobicContact CG1-CD2 4.13Å; V988-L1024 HydrophobicContact CG1-CG 4.1Å; V988-L1024 HydrophobicContact CG2-CD2 4.28Å; V988-L1024 HydrophobicContact CG2-CG 4.31Å
989	F	97.4	Very high	97.3	Very high	29 Å²	29	37.2 Å²	37.2	13%	0.127	19%	0.189	C	C	.	.	H	α-helix	trans	-108.1	-17.4	-171.1	-62.6	-76.2	0	0	0	114.1	H868 L875 T877 Y985 C991 A1013 L1024	H868-F989 HydrophobicContact CB-CE2 3.93Å; H868-F989 HydrophobicContact CB-CZ 3.8Å; L875-F989 HydrophobicContact CB-CE1 3.88Å; L875-F989 HydrophobicContact CB-CZ 4.3Å; T877-F989 HydrophobicContact CG2-CB 3.54Å; T877-F989 HydrophobicContact CG2-CD1 3.65Å; T877-F989 HydrophobicContact CG2-CD2 3.64Å; T877-F989 HydrophobicContact CG2-CE1 4.21Å; T877-F989 HydrophobicContact CG2-CE2 4.17Å; T877-F989 HydrophobicContact CG2-CG 3.32Å; T877-F989 HydrophobicContact CG2-CZ 4.44Å; Y985-F989 AromaticContact CD1-CD2 3.76Å; Y985-F989 HydrophobicContact CD1-CD2 3.76Å; Y985-F989 AromaticContact CD1-CE2 3.77Å; Y985-F989 HydrophobicContact CD1-CE2 3.77Å; Y985-F989 HydrophobicContact CE1-CD2 4.49Å; Y985-F989 HydrophobicContact CE1-CE2 4.07Å; Y985-F989 WeakPolarHBondContact O-CB 3.34Å; Y985-F989 PolarHBondContact O-N 3.16Å; F989-C991 HydrophobicContact CB-CB 4.21Å; F989-C991 PolarHBondContact O-N 2.85Å; F989-A1013 HydrophobicContact CD1-CB 3.86Å; F989-A1013 HydrophobicContact CE1-CB 3.98Å; F989-L1024 HydrophobicContact CE2-CD1 4.18Å; F989-L1024 HydrophobicContact CE2-CD2 3.59Å; F989-L1024 HydrophobicContact CE2-CG 4.48Å; F989-L1024 HydrophobicContact CZ-CD1 3.88Å; F989-L1024 HydrophobicContact CZ-CD2 4.16Å
990	R	96.5	Very high	97	Very high	65 Å²	65	39 Å²	39	25%	0.245	19%	0.194	C	C	.	.			trans	49.9	45.4	-168.3	-56.7	-177.4	64.4	67.1	1.8	110.4	E986 F1006 K1009	E986-R990 WeakPolarHBondContact O-CA 3.3Å; E986-R990 WeakPolarHBondContact O-CG 3.21Å; E986-R990 PolarHBondContact O-N 2.96Å; R990-F1006 HydrophobicContact CB-CD1 4.5Å; R990-F1006 HydrophobicContact CB-CE1 3.72Å; R990-F1006 HydrophobicContact CB-CZ 3.83Å; R990-F1006 HydrophobicContact CG-CZ 4.46Å; R990-F1006 PolarHBondContact NE-O 3.46Å; R990-F1006 VanDerWaalsContact NH2-CG 3.3Å; R990-F1006 PolarHBondContact NH2-O 2.89Å; R990-F1006 WeakPolarHBondContact O-CE1 3.16Å; R990-K1009 WeakPolarHBondContact CD-O 3.24Å; R990-K1009 PolarHBondContact NE-O 3.35Å; R990-K1009 VanDerWaalsContact NE-O 3.12Å
991	C	96.1	Very high	96.8	Very high	20 Å²	20	38.3 Å²	38.3	14%	0.135	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-75.2	152.1	-178	58.3	0	0	0	0	111.5	T877 F989	T877-C991 HydrophobicContact CG2-CB 4.11Å; F989-C991 HydrophobicContact CB-CB 4.21Å; F989-C991 PolarHBondContact O-N 2.85Å
992	L	95.4	Very high	96.7	Very high	17 Å²	17	40.1 Å²	40.1	9%	0.089	21%	0.209	C	C	.	.	S	Bend	trans	-102	154.5	172.9	-63.5	169.1	0	0	0	110.3	I818 R866 V997 L1003 F1006 F1038	I818-L992 HydrophobicContact CG1-CB 4.01Å; I818-L992 HydrophobicContact CG1-CD1 4.23Å; I818-L992 HydrophobicContact CG2-CB 4.39Å; I818-L992 HydrophobicContact CG2-CD1 4.28Å; R866-L992 PolarHBondContact NH2-O 2.84Å; L992-V997 HydrophobicContact CD2-CG2 4.3Å; L992-L1003 HydrophobicContact CD1-CD1 3.52Å; L992-L1003 HydrophobicContact CD2-CD1 3.81Å; L992-L1003 HydrophobicContact CG-CD1 4.33Å; L992-F1006 HydrophobicContact CD2-CD1 4.2Å; L992-F1006 HydrophobicContact CD2-CE1 4.14Å; L992-F1038 HydrophobicContact CD2-CE2 3.88Å; L992-F1038 HydrophobicContact CD2-CZ 4.38Å
993	P	96.6	Very high	96.5	Very high	12 Å²	12	38.9 Å²	38.9	8%	0.078	20%	0.199	C	C	.	.	S	Bend	cis	-73.3	159.5	-6.5	30.6	-34.5	0	0	0	113	L810 L811 P1035 F1038	L810-P993 HydrophobicContact CB-CG 4.12Å; L810-P993 WeakPolarHBondContact O-CG 3.39Å; L811-P993 HydrophobicContact CD2-CB 4.32Å; L811-P993 HydrophobicContact CD2-CG 4.04Å; L811-P993 HydrophobicContact CG-CG 4.34Å; P993-P1035 HydrophobicContact CB-CG 3.71Å; P993-P1035 HydrophobicContact CG-CG 3.61Å; P993-F1038 HydrophobicContact CB-CB 4.04Å; P993-F1038 HydrophobicContact CB-CD1 3.28Å; P993-F1038 HydrophobicContact CB-CD2 4.1Å; P993-F1038 HydrophobicContact CB-CE1 3.63Å; P993-F1038 HydrophobicContact CB-CE2 4.41Å; P993-F1038 HydrophobicContact CB-CG 3.53Å; P993-F1038 HydrophobicContact CB-CZ 4.19Å
994	S	96.9	Very high	96.3	Very high	1 Å²	1	41 Å²	41	1%	0.007	20%	0.202	C	C	.	.			trans	-148.4	141.3	-179.2	161.9	0	0	0	0	111.5	E986 L996 V997 F1038	E986-S994 WeakPolarHBondContact OE2-CB 3.32Å; E986-S994 PolarHBondContact OE2-OG 2.91Å; S994-L996 PolarHBondContact O-N 3.06Å; S994-L996 WeakPolarHBondContact OG-CB 3.45Å; S994-L996 PolarHBondContact OG-N 3.26Å; S994-V997 PolarHBondContact O-N 3.45Å; S994-F1038 WeakPolarHBondContact O-CB 3.34Å; S994-F1038 VanDerWaalsContact O-CD2 3.27Å; S994-F1038 WeakPolarHBondContact O-CD2 3.42Å
995	S	97	Very high	96	Very high	43 Å²	43	46 Å²	46	30%	0.301	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-10.7	173.9	-75.4	0	0	0	0	113.4	V997 P1035 D1037	S995-V997 PolarHBondContact O-N 3.32Å; S995-P1035 WeakPolarHBondContact OG-CA 3.22Å; S995-D1037 PolarHBondContact OG-N 3.35Å
996	L	96.4	Very high	95.8	Very high	99 Å²	99	46.4 Å²	46.4	52%	0.518	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-6.1	172.4	-62.2	-173.7	0	0	0	113.4	E986 S994 F1006	E986-L996 HydrophobicContact CG-CD1 4.13Å; E986-L996 WeakPolarHBondContact OE1-CD1 3.28Å; E986-L996 WeakPolarHBondContact OE1-CG 3.41Å; S994-L996 PolarHBondContact O-N 3.06Å; S994-L996 WeakPolarHBondContact OG-CB 3.45Å; S994-L996 PolarHBondContact OG-N 3.26Å; L996-F1006 HydrophobicContact CB-CD2 4.31Å; L996-F1006 HydrophobicContact CB-CE2 4.07Å; L996-F1006 HydrophobicContact CD1-CE2 4.01Å
997	V	97	Very high	95.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.234	C	C	.	.			trans	-123.2	96.2	-176.2	178.4	0	0	0	0	109.5	L992 S994 S995 E1002 L1003 F1006 F1038 L1039	L992-V997 HydrophobicContact CD2-CG2 4.3Å; S994-V997 PolarHBondContact O-N 3.45Å; S995-V997 PolarHBondContact O-N 3.32Å; V997-E1002 HydrophobicContact CG1-CB 4.43Å; V997-L1003 VanDerWaalsContact CG1-CA 3.49Å; V997-L1003 HydrophobicContact CG1-CB 3.58Å; V997-L1003 HydrophobicContact CG1-CD1 3.88Å; V997-L1003 HydrophobicContact CG1-CG 4.33Å; V997-F1006 HydrophobicContact CG2-CB 3.61Å; V997-F1006 HydrophobicContact CG2-CD1 3.98Å; V997-F1006 HydrophobicContact CG2-CD2 3.69Å; V997-F1006 HydrophobicContact CG2-CE2 4.35Å; V997-F1006 HydrophobicContact CG2-CG 3.5Å; V997-F1038 HydrophobicContact CB-CD2 3.97Å; V997-F1038 HydrophobicContact CB-CE2 4Å; V997-F1038 HydrophobicContact CG1-CD2 4.19Å; V997-F1038 HydrophobicContact CG1-CE2 3.85Å; V997-F1038 CarbonylContact O-C 3.51Å; V997-F1038 WeakPolarHBondContact O-CA 3.36Å; V997-F1038 WeakPolarHBondContact O-CD2 3.37Å; V997-L1039 HydrophobicContact CG1-CD2 4.24Å; V997-L1039 PolarHBondContact O-N 3.09Å
998	R	96.8	Very high	95.3	Very high	101 Å²	101	47.9 Å²	47.9	38%	0.381	25%	0.245	S	C	.	.			trans	-97.9	-17.8	-175.8	-61.1	173.2	-68	157.5	-9.1	113.5	E1002 D1037 L1039 S1040 E1041	R998-E1002 WeakPolarHBondContact CA-OE2 3.3Å; R998-E1002 VanDerWaalsContact CB-OE2 3.28Å; R998-E1002 WeakPolarHBondContact CB-OE2 3.19Å; R998-E1002 IonicContact CZ-OE1 3.67Å; R998-E1002 PolarHBondContact N-OE2 3.44Å; R998-E1002 IonicContact NE-OE1 3.96Å; R998-E1002 PolarHBondContact NE-OE1 3.26Å; R998-E1002 IonicContact NE-OE2 2.73Å; R998-E1002 PolarHBondContact NE-OE2 3.19Å; R998-E1002 IonicContact NH2-OE1 3.54Å; R998-E1002 PolarHBondContact NH2-OE1 2.95Å; R998-D1037 HydrophobicContact CG-CB 4.48Å; R998-L1039 CarbonylContact O-C 3.59Å; R998-L1039 WeakPolarHBondContact O-CA 3.45Å; R998-S1040 PolarHBondContact O-N 3.4Å; R998-S1040 VanDerWaalsContact O-N 3.11Å; R998-E1041 HydrophobicContact CB-CG 4.19Å; R998-E1041 IonicContact CZ-OE1 3.5Å; R998-E1041 IonicContact NE-OE1 3.9Å; R998-E1041 IonicContact NH1-OE1 2.67Å; R998-E1041 PolarHBondContact NH1-OE1 3.31Å; R998-E1041 WeakPolarHBondContact O-CB 3.38Å; R998-E1041 PolarHBondContact O-N 2.95Å
999	N	95	Very high	95.1	Very high	35 Å²	35	54.3 Å²	54.3	19%	0.187	27%	0.274	C	S	.	.	S	Bend	trans	-147.5	174.6	177.7	60.5	62.8	0	0	0	111.6	S1001 E1002 L1003 E1041	N999-S1001 VanDerWaalsContact C-N 3.33Å; N999-S1001 PolarHBondContact O-N 2.83Å; N999-S1001 WeakPolarHBondContact OD1-CB 3.38Å; N999-S1001 PolarHBondContact OD1-N 3.38Å; N999-E1002 PolarHBondContact O-N 2.96Å; N999-E1002 PolarHBondContact OD1-N 3.49Å; N999-L1003 PolarHBondContact O-N 3.09Å; N999-E1041 HydrophobicContact CB-CB 4.16Å; N999-E1041 PolarHBondContact ND2-OE2 2.6Å
1000	M	92.8	Very high	94.9	Very high	52 Å²	52	56.3 Å²	56.3	26%	0.256	29%	0.289	S	S	.	.	H	α-helix	trans	-66	-30.9	-177.2	-64.9	-56.5	-67.2	0	0	113.6	T820 L1003 E1004 L1039	T820-M1000 WeakPolarHBondContact O-CE 3.4Å; M1000-L1003 HydrophobicContact CE-CD2 3.79Å; M1000-L1003 WeakPolarHBondContact O-CB 3.3Å; M1000-L1003 PolarHBondContact O-N 3.45Å; M1000-L1003 HydrophobicContact SD-CD2 3.99Å; M1000-E1004 PolarHBondContact O-N 2.81Å; M1000-E1004 VanDerWaalsContact O-N 3.13Å; M1000-L1039 HydrophobicContact SD-CD2 4.13Å
1001	S	94.9	Very high	94.7	Very high	61 Å²	61	53.5 Å²	53.5	43%	0.427	28%	0.28	S	S	.	.	H	α-helix	trans	-70.2	-41.8	176.6	-173	0	0	0	0	111.2	N999 L1003 E1004 Q1005	N999-S1001 VanDerWaalsContact C-N 3.33Å; N999-S1001 PolarHBondContact O-N 2.83Å; N999-S1001 WeakPolarHBondContact OD1-CB 3.38Å; N999-S1001 PolarHBondContact OD1-N 3.38Å; S1001-L1003 VanDerWaalsContact C-N 3.25Å; S1001-L1003 PolarHBondContact O-N 3.33Å; S1001-E1004 PolarHBondContact O-N 3.16Å; S1001-Q1005 WeakPolarHBondContact O-CG 3.41Å; S1001-Q1005 PolarHBondContact O-N 3.44Å; S1001-Q1005 VanDerWaalsContact O-N 3.08Å
1002	E	96.6	Very high	94.7	Very high	38 Å²	38	53.5 Å²	53.5	18%	0.178	28%	0.279	C	S	.	.	H	α-helix	trans	-63	-33.5	172.8	-70.2	-177.8	172.2	0	0	111.4	V997 R998 N999 Q1005 F1006	V997-E1002 HydrophobicContact CG1-CB 4.43Å; R998-E1002 WeakPolarHBondContact CA-OE2 3.3Å; R998-E1002 VanDerWaalsContact CB-OE2 3.28Å; R998-E1002 WeakPolarHBondContact CB-OE2 3.19Å; R998-E1002 IonicContact CZ-OE1 3.67Å; R998-E1002 PolarHBondContact N-OE2 3.44Å; R998-E1002 IonicContact NE-OE1 3.96Å; R998-E1002 PolarHBondContact NE-OE1 3.26Å; R998-E1002 IonicContact NE-OE2 2.73Å; R998-E1002 PolarHBondContact NE-OE2 3.19Å; R998-E1002 IonicContact NH2-OE1 3.54Å; R998-E1002 PolarHBondContact NH2-OE1 2.95Å; N999-E1002 PolarHBondContact O-N 2.96Å; N999-E1002 PolarHBondContact OD1-N 3.49Å; E1002-Q1005 PolarHBondContact O-N 2.85Å; E1002-F1006 WeakPolarHBondContact O-CB 3.5Å; E1002-F1006 PolarHBondContact O-N 3.44Å
1003	L	94.3	Very high	94.7	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-62.9	-49.6	176	-178.3	66.2	0	0	0	111.9	T819 L992 V997 N999 M1000 S1001 Q1005 F1006 Q1007	T819-L1003 WeakPolarHBondContact O-CD2 3.5Å; L992-L1003 HydrophobicContact CD1-CD1 3.52Å; L992-L1003 HydrophobicContact CD2-CD1 3.81Å; L992-L1003 HydrophobicContact CG-CD1 4.33Å; V997-L1003 VanDerWaalsContact CG1-CA 3.49Å; V997-L1003 HydrophobicContact CG1-CB 3.58Å; V997-L1003 HydrophobicContact CG1-CD1 3.88Å; V997-L1003 HydrophobicContact CG1-CG 4.33Å; N999-L1003 PolarHBondContact O-N 3.09Å; M1000-L1003 HydrophobicContact CE-CD2 3.79Å; M1000-L1003 WeakPolarHBondContact O-CB 3.3Å; M1000-L1003 PolarHBondContact O-N 3.45Å; M1000-L1003 HydrophobicContact SD-CD2 3.99Å; S1001-L1003 VanDerWaalsContact C-N 3.25Å; S1001-L1003 PolarHBondContact O-N 3.33Å; L1003-Q1005 PolarHBondContact O-N 2.86Å; L1003-F1006 PolarHBondContact O-N 2.92Å; L1003-Q1007 VanDerWaalsContact CD1-NE2 3.32Å; L1003-Q1007 WeakPolarHBondContact O-CG 3.46Å; L1003-Q1007 PolarHBondContact O-N 3.11Å; L1003-Q1007 VanDerWaalsContact O-N 3.08Å
1004	E	92.8	Very high	94.5	Very high	134 Å²	134	60.4 Å²	60.4	63%	0.626	31%	0.313	S	S	*	.	H	α-helix	trans	-59.6	-46.5	176.8	-70.7	173.1	-175	0	0	111.2	M1000 S1001 F1006 Q1007 S1008	M1000-E1004 PolarHBondContact O-N 2.81Å; M1000-E1004 VanDerWaalsContact O-N 3.13Å; S1001-E1004 PolarHBondContact O-N 3.16Å; E1004-F1006 VanDerWaalsContact C-N 3.32Å; E1004-F1006 PolarHBondContact O-N 3.05Å; E1004-Q1007 PolarHBondContact O-N 2.7Å; E1004-S1008 PolarHBondContact O-N 2.88Å
1005	Q	93.9	Very high	94.4	Very high	118 Å²	118	64.1 Å²	64.1	55%	0.551	34%	0.336	S	S	*	.	H	α-helix	trans	-62.9	-40.5	176.7	-70.2	177.9	22.7	0	0	111.9	S1001 E1002 L1003 Q1007 S1008	S1001-Q1005 WeakPolarHBondContact O-CG 3.41Å; S1001-Q1005 PolarHBondContact O-N 3.44Å; S1001-Q1005 VanDerWaalsContact O-N 3.08Å; E1002-Q1005 PolarHBondContact O-N 2.85Å; L1003-Q1005 PolarHBondContact O-N 2.86Å; Q1005-Q1007 VanDerWaalsContact C-N 3.31Å; Q1005-Q1007 PolarHBondContact O-N 3.12Å; Q1005-S1008 PolarHBondContact O-N 3.24Å; Q1005-S1008 PolarHBondContact O-OG 3.29Å
1006	F	94.2	Very high	94.3	Very high	11 Å²	11	66.2 Å²	66.2	5%	0.048	34%	0.341	C	S	.	.	H	α-helix	trans	-63.6	-38.6	-178.3	-174.4	-93.3	0	0	0	111.6	E986 R990 L992 L996 V997 E1002 L1003 E1004	E986-F1006 HydrophobicContact CG-CZ 4.29Å; R990-F1006 HydrophobicContact CB-CD1 4.5Å; R990-F1006 HydrophobicContact CB-CE1 3.72Å; R990-F1006 HydrophobicContact CB-CZ 3.83Å; R990-F1006 HydrophobicContact CG-CZ 4.46Å; R990-F1006 PolarHBondContact NE-O 3.46Å; R990-F1006 VanDerWaalsContact NH2-CG 3.3Å; R990-F1006 PolarHBondContact NH2-O 2.89Å; R990-F1006 WeakPolarHBondContact O-CE1 3.16Å; L992-F1006 HydrophobicContact CD2-CD1 4.2Å; L992-F1006 HydrophobicContact CD2-CE1 4.14Å; L996-F1006 HydrophobicContact CB-CD2 4.31Å; L996-F1006 HydrophobicContact CB-CE2 4.07Å; L996-F1006 HydrophobicContact CD1-CE2 4.01Å; V997-F1006 HydrophobicContact CG2-CB 3.61Å; V997-F1006 HydrophobicContact CG2-CD1 3.98Å; V997-F1006 HydrophobicContact CG2-CD2 3.69Å; V997-F1006 HydrophobicContact CG2-CE2 4.35Å; V997-F1006 HydrophobicContact CG2-CG 3.5Å; E1002-F1006 WeakPolarHBondContact O-CB 3.5Å; E1002-F1006 PolarHBondContact O-N 3.44Å; L1003-F1006 PolarHBondContact O-N 2.92Å; E1004-F1006 VanDerWaalsContact C-N 3.32Å; E1004-F1006 PolarHBondContact O-N 3.05Å
1007	Q	90.4	Very high	94.1	Very high	78 Å²	78	65.4 Å²	65.4	36%	0.364	33%	0.333	S	S	.	.	H	α-helix	trans	-78.2	-29.1	178.4	-70.6	170	11.4	0	0	114	T819 L1003 E1004 Q1005 K1009	T819-Q1007 VanDerWaalsContact C-NE2 3.31Å; T819-Q1007 PolarHBondContact O-NE2 3.16Å; T819-Q1007 PolarHBondContact O-OE1 3.25Å; L1003-Q1007 VanDerWaalsContact CD1-NE2 3.32Å; L1003-Q1007 WeakPolarHBondContact O-CG 3.46Å; L1003-Q1007 PolarHBondContact O-N 3.11Å; L1003-Q1007 VanDerWaalsContact O-N 3.08Å; E1004-Q1007 PolarHBondContact O-N 2.7Å; Q1005-Q1007 VanDerWaalsContact C-N 3.31Å; Q1005-Q1007 PolarHBondContact O-N 3.12Å; Q1007-K1009 PolarHBondContact O-N 3.11Å; Q1007-K1009 VanDerWaalsContact O-N 3.1Å
1008	S	92.6	Very high	94	Very high	90 Å²	90	69 Å²	69	63%	0.629	36%	0.363	S	S	*	.	H	α-helix	trans	-61.7	-18.8	178.3	73	0	0	0	0	113.6	E1004 Q1005	E1004-S1008 PolarHBondContact O-N 2.88Å; Q1005-S1008 PolarHBondContact O-N 3.24Å; Q1005-S1008 PolarHBondContact O-OG 3.29Å
1009	K	92.9	Very high	94	Very high	136 Å²	136	69.4 Å²	69.4	59%	0.591	37%	0.365	S	S	*	.	S	Bend	trans	-103.1	127.8	-180	-65.3	179.6	-177.8	175.2	0	110.4	R990 Q1007	R990-K1009 WeakPolarHBondContact CD-O 3.24Å; R990-K1009 PolarHBondContact NE-O 3.35Å; R990-K1009 VanDerWaalsContact NE-O 3.12Å; Q1007-K1009 PolarHBondContact O-N 3.11Å; Q1007-K1009 VanDerWaalsContact O-N 3.1Å
1010	P	93.1	Very high	94.1	Very high	71 Å²	71	67.8 Å²	67.8	46%	0.461	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-70.7	149.4	176.4	30.4	-35.6	0	0	0	111.7	Q1014 T1015	P1010-Q1014 HydrophobicContact CB-CB 4.13Å; P1010-T1015 HydrophobicContact CB-CG2 3.8Å; P1010-T1015 HydrophobicContact CG-CG2 3.5Å; P1010-T1015 VanDerWaalsContact CG-CG2 3.5Å
1011	G	93.6	Very high	94.2	Very high	5 Å²	5	68.4 Å²	68.4	5%	0.052	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-82.3	168.3	170.8	0	0	0	0	0	112.7	V988 A1013 Q1014 T1015	V988-G1011 CarbonylContact O-C 3.6Å; G1011-A1013 PolarHBondContact O-N 3.48Å; G1011-A1013 VanDerWaalsContact O-N 3.14Å; G1011-Q1014 PolarHBondContact O-N 2.84Å; G1011-T1015 PolarHBondContact O-N 3.13Å; G1011-T1015 PolarHBondContact O-OG1 2.94Å
1012	L	95.7	Very high	94.3	Very high	21 Å²	21	70.9 Å²	70.9	11%	0.11	36%	0.363	C	S	.	.	H	α-helix	trans	-58.3	-29.5	179.2	-65.3	177.5	0	0	0	113.4	K987 V988 Q1014 T1015 E1016 A1020	K987-L1012 HydrophobicContact CD-CD1 4.09Å; K987-L1012 HydrophobicContact CG-CD1 3.78Å; K987-L1012 HydrophobicContact CG-CG 4.5Å; V988-L1012 PolarHBondContact O-N 3.17Å; L1012-Q1014 PolarHBondContact O-N 3.03Å; L1012-T1015 PolarHBondContact O-N 2.9Å; L1012-E1016 HydrophobicContact CD2-CB 4.41Å; L1012-E1016 CarbonylContact O-C 3.51Å; L1012-E1016 VanDerWaalsContact O-C 3.26Å; L1012-E1016 PolarHBondContact O-N 3.4Å; L1012-A1020 HydrophobicContact CB-CB 4.1Å
1013	A	94.6	Very high	94.4	Very high	19 Å²	19	70.3 Å²	70.3	16%	0.157	36%	0.36	C	S	.	.	H	α-helix	trans	-57.7	-28.9	175.9	0	0	0	0	0	112.8	L875 V988 F989 G1011	L875-A1013 HydrophobicContact CB-CB 4.13Å; L875-A1013 HydrophobicContact CD1-CB 4.4Å; V988-A1013 HydrophobicContact CG1-CB 4.02Å; V988-A1013 WeakPolarHBondContact O-CB 3.31Å; V988-A1013 PolarHBondContact O-N 3.18Å; F989-A1013 HydrophobicContact CD1-CB 3.86Å; F989-A1013 HydrophobicContact CE1-CB 3.98Å; G1011-A1013 PolarHBondContact O-N 3.48Å; G1011-A1013 VanDerWaalsContact O-N 3.14Å
1014	Q	92.3	Very high	94.5	Very high	154 Å²	154	70.7 Å²	70.7	72%	0.72	36%	0.362	S	S	*	.	H	α-helix	trans	-96.3	-30.8	-179.8	-63.2	175.1	13.8	0	0	112.6	P1010 G1011 L1012	P1010-Q1014 HydrophobicContact CB-CB 4.13Å; G1011-Q1014 PolarHBondContact O-N 2.84Å; L1012-Q1014 PolarHBondContact O-N 3.03Å
1015	T	94.7	Very high	94.7	Very high	79 Å²	79	73.7 Å²	73.7	49%	0.485	37%	0.368	S	S	.	.	H	α-helix	trans	-96.2	-39.1	-174.9	60.2	0	0	0	0	114.3	P1010 G1011 L1012	P1010-T1015 HydrophobicContact CB-CG2 3.8Å; P1010-T1015 HydrophobicContact CG-CG2 3.5Å; P1010-T1015 VanDerWaalsContact CG-CG2 3.5Å; G1011-T1015 PolarHBondContact O-N 3.13Å; G1011-T1015 PolarHBondContact O-OG1 2.94Å; L1012-T1015 PolarHBondContact O-N 2.9Å
1016	E	94.9	Very high	94.8	Very high	88 Å²	88	72.8 Å²	72.8	41%	0.411	36%	0.362	S	S	.	.			trans	-141.1	70	-169.6	-69.5	175.2	-123.1	0	0	110.8	L1012 A1018 R1019 A1020	L1012-E1016 HydrophobicContact CD2-CB 4.41Å; L1012-E1016 CarbonylContact O-C 3.51Å; L1012-E1016 VanDerWaalsContact O-C 3.26Å; L1012-E1016 PolarHBondContact O-N 3.4Å; E1016-A1018 VanDerWaalsContact C-N 3.33Å; E1016-A1018 PolarHBondContact O-N 3.24Å; E1016-R1019 HydrophobicContact CB-CB 4.05Å; E1016-R1019 PolarHBondContact O-N 2.85Å; E1016-R1019 VanDerWaalsContact O-N 3.09Å; E1016-R1019 IonicContact OE1-NH1 3.5Å; E1016-R1019 WeakPolarHBondContact OE2-CD 3.34Å; E1016-R1019 IonicContact OE2-CZ 3.62Å; E1016-R1019 IonicContact OE2-NE 3.37Å; E1016-R1019 IonicContact OE2-NH1 2.71Å; E1016-R1019 PolarHBondContact OE2-NH1 2.72Å; E1016-R1019 VanDerWaalsContact OE2-NH1 3.08Å; E1016-A1020 PolarHBondContact O-N 2.84Å
1017	K	93.2	Very high	94.9	Very high	81 Å²	81	73.4 Å²	73.4	35%	0.352	37%	0.366	S	S	.	.	H	α-helix	trans	-52.4	-42.8	-172.6	-171.9	179.8	176.3	-175.6	0	114.1	E870 G873 L875 R1019 A1020 Q1021	E870-K1017 IonicContact OE1-NZ 2.94Å; E870-K1017 PolarHBondContact OE1-NZ 3.37Å; G873-K1017 WeakPolarHBondContact O-CE 3.3Å; G873-K1017 PolarHBondContact O-NZ 2.95Å; L875-K1017 HydrophobicContact CD1-CG 4.15Å; L875-K1017 HydrophobicContact CG-CG 4.47Å; K1017-R1019 PolarHBondContact O-N 3.33Å; K1017-A1020 WeakPolarHBondContact O-CB 3.39Å; K1017-A1020 PolarHBondContact O-N 2.83Å; K1017-Q1021 WeakPolarHBondContact O-CG 3.5Å; K1017-Q1021 PolarHBondContact O-N 2.95Å
1018	A	94.4	Very high	95.1	Very high	77 Å²	77	75.2 Å²	75.2	64%	0.636	37%	0.369	S	S	*	.	H	α-helix	trans	-63.6	-42.8	-179.6	0	0	0	0	0	112.3	E1016 Q1021 E1022	E1016-A1018 VanDerWaalsContact C-N 3.33Å; E1016-A1018 PolarHBondContact O-N 3.24Å; A1018-Q1021 PolarHBondContact O-N 3.48Å; A1018-E1022 PolarHBondContact O-N 3.02Å; A1018-E1022 VanDerWaalsContact O-N 3.08Å
1019	R	96.5	Very high	95.3	Very high	109 Å²	109	71.5 Å²	71.5	41%	0.411	35%	0.346	S	S	.	.	H	α-helix	trans	-69.3	-37.8	176.4	-170.9	-179.1	-179.3	-175.5	2.3	111.7	E1016 K1017 Q1021 E1022 E1023	E1016-R1019 HydrophobicContact CB-CB 4.05Å; E1016-R1019 PolarHBondContact O-N 2.85Å; E1016-R1019 VanDerWaalsContact O-N 3.09Å; E1016-R1019 IonicContact OE1-NH1 3.5Å; E1016-R1019 WeakPolarHBondContact OE2-CD 3.34Å; E1016-R1019 IonicContact OE2-CZ 3.62Å; E1016-R1019 IonicContact OE2-NE 3.37Å; E1016-R1019 IonicContact OE2-NH1 2.71Å; E1016-R1019 PolarHBondContact OE2-NH1 2.72Å; E1016-R1019 VanDerWaalsContact OE2-NH1 3.08Å; K1017-R1019 PolarHBondContact O-N 3.33Å; R1019-Q1021 VanDerWaalsContact C-N 3.34Å; R1019-Q1021 PolarHBondContact O-N 3.19Å; R1019-E1022 PolarHBondContact O-N 3.04Å; R1019-E1023 WeakPolarHBondContact O-CG 3.34Å; R1019-E1023 PolarHBondContact O-N 2.88Å
1020	A	97.2	Very high	95.5	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-57.9	-46.3	172.2	0	0	0	0	0	111.4	L875 V988 L1012 E1016 K1017 E1022 E1023 L1024	L875-A1020 HydrophobicContact CD1-CB 3.67Å; V988-A1020 HydrophobicContact CG1-CB 3.84Å; L1012-A1020 HydrophobicContact CB-CB 4.1Å; E1016-A1020 PolarHBondContact O-N 2.84Å; K1017-A1020 WeakPolarHBondContact O-CB 3.39Å; K1017-A1020 PolarHBondContact O-N 2.83Å; A1020-E1022 VanDerWaalsContact C-N 3.33Å; A1020-E1022 PolarHBondContact O-N 3.47Å; A1020-E1023 PolarHBondContact O-N 2.83Å; A1020-L1024 WeakPolarHBondContact O-CB 3.5Å; A1020-L1024 VanDerWaalsContact O-CG 3.24Å; A1020-L1024 WeakPolarHBondContact O-CG 3.48Å; A1020-L1024 PolarHBondContact O-N 3.26Å
1021	Q	96.1	Very high	95.8	Very high	65 Å²	65	63 Å²	63	30%	0.304	30%	0.301	S	S	.	.	H	α-helix	trans	-61.4	-39.1	175.8	-72.7	176	-27.8	0	0	112.5	L875 K1017 A1018 R1019 L1024 R1025	L875-Q1021 HydrophobicContact CD1-CG 4.13Å; L875-Q1021 HydrophobicContact CD2-CG 4.26Å; K1017-Q1021 WeakPolarHBondContact O-CG 3.5Å; K1017-Q1021 PolarHBondContact O-N 2.95Å; A1018-Q1021 PolarHBondContact O-N 3.48Å; R1019-Q1021 VanDerWaalsContact C-N 3.34Å; R1019-Q1021 PolarHBondContact O-N 3.19Å; Q1021-L1024 PolarHBondContact O-N 2.79Å; Q1021-R1025 WeakPolarHBondContact O-CG 3.39Å; Q1021-R1025 PolarHBondContact O-N 2.98Å; Q1021-R1025 VanDerWaalsContact O-N 3.13Å
1022	E	96.9	Very high	96.1	Very high	114 Å²	114	63.1 Å²	63.1	53%	0.533	30%	0.301	S	S	.	.	H	α-helix	trans	-64.1	-41.7	176.1	-172.9	178.7	-177.4	0	0	112.7	A1018 R1019 A1020	A1018-E1022 PolarHBondContact O-N 3.02Å; A1018-E1022 VanDerWaalsContact O-N 3.08Å; R1019-E1022 PolarHBondContact O-N 3.04Å; A1020-E1022 VanDerWaalsContact C-N 3.33Å; A1020-E1022 PolarHBondContact O-N 3.47Å
1023	E	97.9	Very high	96.2	Very high	25 Å²	25	66.7 Å²	66.7	12%	0.117	32%	0.317	C	S	.	.	H	α-helix	trans	-65.7	-42	174.6	-66.5	-67.2	-177.8	0	0	111.7	I984 K987 V988 R1019 A1020 R1025 K1026	I984-E1023 HydrophobicContact CG2-CB 4.24Å; K987-E1023 IonicContact NZ-OE1 3.67Å; K987-E1023 PolarHBondContact NZ-OE1 2.87Å; V988-E1023 HydrophobicContact CG2-CB 3.78Å; V988-E1023 HydrophobicContact CG2-CG 4.49Å; R1019-E1023 WeakPolarHBondContact O-CG 3.34Å; R1019-E1023 PolarHBondContact O-N 2.88Å; A1020-E1023 PolarHBondContact O-N 2.83Å; E1023-R1025 VanDerWaalsContact C-N 3.28Å; E1023-R1025 PolarHBondContact O-N 2.87Å; E1023-K1026 VanDerWaalsContact O-CB 3.31Å; E1023-K1026 WeakPolarHBondContact O-CB 3.46Å; E1023-K1026 PolarHBondContact O-N 3.19Å; E1023-K1026 IonicContact OE1-NZ 3.25Å; E1023-K1026 IonicContact OE2-NZ 2.68Å; E1023-K1026 PolarHBondContact OE2-NZ 3.45Å
1024	L	97.7	Very high	96.4	Very high	10 Å²	10	66.2 Å²	66.2	5%	0.052	31%	0.311	C	S	.	.	H	α-helix	trans	-65.2	-28.7	-179.4	-69.9	172.5	0	0	0	113.3	L875 I984 Y985 V988 F989 A1020 Q1021 K1026 I1027	L875-L1024 HydrophobicContact CD1-CD1 4.09Å; L875-L1024 HydrophobicContact CD2-CD1 4.31Å; I984-L1024 HydrophobicContact CG2-CD2 4.17Å; Y985-L1024 HydrophobicContact CE1-CD2 4.35Å; V988-L1024 HydrophobicContact CB-CD2 4.35Å; V988-L1024 HydrophobicContact CG1-CD1 4.07Å; V988-L1024 HydrophobicContact CG1-CD2 4.13Å; V988-L1024 HydrophobicContact CG1-CG 4.1Å; V988-L1024 HydrophobicContact CG2-CD2 4.28Å; V988-L1024 HydrophobicContact CG2-CG 4.31Å; F989-L1024 HydrophobicContact CE2-CD1 4.18Å; F989-L1024 HydrophobicContact CE2-CD2 3.59Å; F989-L1024 HydrophobicContact CE2-CG 4.48Å; F989-L1024 HydrophobicContact CZ-CD1 3.88Å; F989-L1024 HydrophobicContact CZ-CD2 4.16Å; A1020-L1024 WeakPolarHBondContact O-CB 3.5Å; A1020-L1024 VanDerWaalsContact O-CG 3.24Å; A1020-L1024 WeakPolarHBondContact O-CG 3.48Å; A1020-L1024 PolarHBondContact O-N 3.26Å; Q1021-L1024 PolarHBondContact O-N 2.79Å; L1024-K1026 PolarHBondContact O-N 3.43Å; L1024-K1026 VanDerWaalsContact O-N 3.11Å; L1024-I1027 HydrophobicContact CD2-CG1 4.36Å; L1024-I1027 VanDerWaalsContact O-CB 3.3Å; L1024-I1027 WeakPolarHBondContact O-CB 3.33Å; L1024-I1027 WeakPolarHBondContact O-CG1 3.43Å; L1024-I1027 PolarHBondContact O-N 2.8Å
1025	R	96	Very high	96.7	Very high	197 Å²	197	59.4 Å²	59.4	74%	0.743	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-17.7	172.2	-73.4	172.1	-172.8	155.6	2.7	113.7	Q1021 E1023	Q1021-R1025 WeakPolarHBondContact O-CG 3.39Å; Q1021-R1025 PolarHBondContact O-N 2.98Å; Q1021-R1025 VanDerWaalsContact O-N 3.13Å; E1023-R1025 VanDerWaalsContact C-N 3.28Å; E1023-R1025 PolarHBondContact O-N 2.87Å
1026	K	96.4	Very high	96.8	Very high	98 Å²	98	56.8 Å²	56.8	43%	0.426	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-10.7	178.1	-54.1	171.4	-169.7	167.9	0	112.7	R980 I984 E1023 L1024	R980-K1026 PolarHBondContact NE-O 3.11Å; I984-K1026 HydrophobicContact CD1-CB 3.74Å; E1023-K1026 VanDerWaalsContact O-CB 3.31Å; E1023-K1026 WeakPolarHBondContact O-CB 3.46Å; E1023-K1026 PolarHBondContact O-N 3.19Å; E1023-K1026 IonicContact OE1-NZ 3.25Å; E1023-K1026 IonicContact OE2-NZ 2.68Å; E1023-K1026 PolarHBondContact OE2-NZ 3.45Å; L1024-K1026 PolarHBondContact O-N 3.43Å; L1024-K1026 VanDerWaalsContact O-N 3.11Å
1027	I	96.8	Very high	96.9	Very high	24 Å²	24	56.2 Å²	56.2	12%	0.123	26%	0.263	C	S	.	.			trans	-64.3	137.2	173.3	-64.6	-66.4	0	0	0	109.1	N981 I984 Y985 L1024 G1029	N981-I1027 HydrophobicContact CB-CD1 3.92Å; I984-I1027 HydrophobicContact CB-CD1 3.69Å; I984-I1027 HydrophobicContact CB-CG1 4.5Å; I984-I1027 HydrophobicContact CD1-CD1 3.91Å; I984-I1027 HydrophobicContact CD1-CG1 4.43Å; I984-I1027 HydrophobicContact CG1-CD1 4.43Å; I984-I1027 HydrophobicContact CG2-CD1 3.63Å; I984-I1027 HydrophobicContact CG2-CG1 3.93Å; Y985-I1027 HydrophobicContact CD2-CD1 4.15Å; Y985-I1027 HydrophobicContact CE2-CD1 3.9Å; L1024-I1027 HydrophobicContact CD2-CG1 4.36Å; L1024-I1027 VanDerWaalsContact O-CB 3.3Å; L1024-I1027 WeakPolarHBondContact O-CB 3.33Å; L1024-I1027 WeakPolarHBondContact O-CG1 3.43Å; L1024-I1027 PolarHBondContact O-N 2.8Å; I1027-G1029 WeakPolarHBondContact CG2-O 3.39Å
1028	R	93.5	Very high	97.1	Very high	116 Å²	116	52.3 Å²	52.3	44%	0.438	25%	0.246	S	C	.	.			trans	-130.1	132	166.3	-58	-171.4	-177.4	179.6	2.6	109.3	D956 T977 N981	D956-R1028 IonicContact OD2-CZ 3.32Å; D956-R1028 VanDerWaalsContact OD2-CZ 3.25Å; D956-R1028 IonicContact OD2-NE 2.63Å; D956-R1028 IonicContact OD2-NH1 2.75Å; D956-R1028 PolarHBondContact OD2-NH1 3.49Å; T977-R1028 WeakPolarHBondContact CG2-O 3.48Å; N981-R1028 PolarHBondContact ND2-O 2.74Å; N981-R1028 PolarHBondContact OD1-N 2.88Å
1029	G	96.4	Very high	97.2	Very high	13 Å²	13	48.7 Å²	48.7	13%	0.134	22%	0.216	C	C	.	.	S	Bend	trans	62	-160.9	-175.5	0	0	0	0	0	113.4	I950 I1027	I950-G1029 CarbonylContact O-C 3.56Å; I950-G1029 WeakPolarHBondContact O-CA 3.45Å; I1027-G1029 WeakPolarHBondContact CG2-O 3.39Å
1030	F	98.6	Very high	97.3	Very high	29 Å²	29	45.7 Å²	45.7	13%	0.127	21%	0.212	C	C	.	.	S	Bend	trans	-114.7	-15.1	-174.6	-57	-50.8	0	0	0	113.5	H517 L865 R866 I880 T949 I950 V1032	H517-F1030 HydrophobicContact CB-CZ 4.39Å; H517-F1030 AromaticContact CD2-CE2 3.73Å; L865-F1030 WeakPolarHBondContact CA-O 3.26Å; L865-F1030 HydrophobicContact CB-CB 4.36Å; L865-F1030 HydrophobicContact CD2-CB 4.19Å; R866-F1030 PolarHBondContact N-O 3.22Å; I880-F1030 HydrophobicContact CD1-CB 3.73Å; I880-F1030 HydrophobicContact CD1-CD1 3.57Å; I880-F1030 HydrophobicContact CD1-CD2 3.91Å; I880-F1030 HydrophobicContact CD1-CE1 4.13Å; I880-F1030 HydrophobicContact CD1-CE2 4.42Å; I880-F1030 HydrophobicContact CD1-CG 3.44Å; I880-F1030 VanDerWaalsContact CD1-CG 3.44Å; T949-F1030 HydrophobicContact CG2-CE2 4.38Å; T949-F1030 WeakPolarHBondContact O-CD2 3.38Å; I950-F1030 PolarHBondContact O-N 3.18Å; F1030-V1032 PolarHBondContact O-N 3.35Å
1031	L	98.8	Very high	97.2	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	128.9	-174.9	-165.3	73.5	0	0	0	111.3	V807 A863 L865 I950 L951 W974 A978 N981	V807-L1031 HydrophobicContact CG2-CD1 4.36Å; A863-L1031 HydrophobicContact CB-CD1 3.46Å; A863-L1031 VanDerWaalsContact CB-CD1 3.46Å; A863-L1031 HydrophobicContact CB-CG 4.08Å; L865-L1031 HydrophobicContact CD2-CD1 4.16Å; I950-L1031 HydrophobicContact CD1-CD1 4.37Å; I950-L1031 PolarHBondContact O-N 3.5Å; L951-L1031 HydrophobicContact CD2-CB 4.29Å; L951-L1031 HydrophobicContact CD2-CD2 3.67Å; W974-L1031 HydrophobicContact CD2-CD2 3.63Å; W974-L1031 HydrophobicContact CE3-CD2 3.79Å; W974-L1031 HydrophobicContact CG-CD2 4.2Å; W974-L1031 HydrophobicContact CH2-CD1 3.79Å; W974-L1031 HydrophobicContact CH2-CD2 3.99Å; W974-L1031 HydrophobicContact CZ2-CD1 3.89Å; W974-L1031 HydrophobicContact CZ2-CD2 3.85Å; W974-L1031 HydrophobicContact CZ2-CG 4.49Å; W974-L1031 HydrophobicContact CZ3-CD1 4.37Å; W974-L1031 HydrophobicContact CZ3-CD2 3.98Å; A978-L1031 HydrophobicContact CB-CD2 3.97Å; A978-L1031 HydrophobicContact CB-CG 4.12Å; N981-L1031 VanDerWaalsContact CB-O 3.29Å; N981-L1031 WeakPolarHBondContact CB-O 3.47Å; N981-L1031 PolarHBondContact ND2-O 3.43Å
1032	V	98.8	Very high	97	Very high	6 Å²	6	51.1 Å²	51.1	4%	0.036	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	145.3	172.5	-66.8	0	0	0	0	110.1	L810 A863 G864 R866 N981 A982 Y985 F1030 F1034	L810-V1032 HydrophobicContact CD1-CG2 3.92Å; L810-V1032 HydrophobicContact CD2-CG2 3.96Å; L810-V1032 HydrophobicContact CG-CG2 4.35Å; A863-V1032 CarbonylContact C-O 3.45Å; A863-V1032 VanDerWaalsContact CA-O 3.28Å; A863-V1032 WeakPolarHBondContact CA-O 3.2Å; A863-V1032 WeakPolarHBondContact CB-O 3.4Å; G864-V1032 PolarHBondContact N-O 3.1Å; G864-V1032 VanDerWaalsContact O-CG2 3.31Å; G864-V1032 WeakPolarHBondContact O-CG2 3.49Å; G864-V1032 PolarHBondContact O-N 3.09Å; R866-V1032 HydrophobicContact CB-CG1 4.09Å; R866-V1032 HydrophobicContact CB-CG2 4.24Å; N981-V1032 HydrophobicContact CB-CG1 3.83Å; A982-V1032 HydrophobicContact CB-CB 4.28Å; Y985-V1032 HydrophobicContact CD2-CG1 3.64Å; Y985-V1032 HydrophobicContact CE2-CG1 3.89Å; F1030-V1032 PolarHBondContact O-N 3.35Å; V1032-F1034 PolarHBondContact O-N 2.75Å
1033	Q	98.6	Very high	96.6	Very high	96 Å²	96	51 Å²	51	45%	0.449	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	135.9	174.9	-174.2	172.6	7.9	0	0	110.5	A978 A982	A978-Q1033 HydrophobicContact CB-CB 4.21Å; A978-Q1033 PolarHBondContact O-N 3.37Å; A982-Q1033 HydrophobicContact CB-CB 4.21Å
1034	F	98.6	Very high	96.3	Very high	9 Å²	9	49.9 Å²	49.9	4%	0.039	24%	0.235	C	C	.	.			trans	-73.1	130.4	178.7	-158.7	-81.7	0	0	0	110.7	T808 L810 Y834 M837 F862 V1032 L1036	T808-F1034 HydrophobicContact CG2-CD2 3.82Å; T808-F1034 HydrophobicContact CG2-CE2 3.48Å; T808-F1034 VanDerWaalsContact CG2-CE2 3.48Å; T808-F1034 HydrophobicContact CG2-CZ 4.31Å; L810-F1034 HydrophobicContact CD2-CD2 4.29Å; Y834-F1034 HydrophobicContact CE1-CD1 4.31Å; Y834-F1034 AromaticContact CE1-CE1 3.69Å; Y834-F1034 HydrophobicContact CE1-CE1 3.69Å; M837-F1034 HydrophobicContact CE-CE1 4.4Å; M837-F1034 HydrophobicContact CE-CZ 4.34Å; M837-F1034 HydrophobicContact SD-CD1 4.12Å; M837-F1034 HydrophobicContact SD-CE1 4.04Å; F862-F1034 HydrophobicContact CB-CB 3.9Å; F862-F1034 WeakPolarHBondContact O-CB 3.2Å; F862-F1034 PolarHBondContact O-N 3.01Å; V1032-F1034 PolarHBondContact O-N 2.75Å; F1034-L1036 HydrophobicContact CD1-CD2 4.23Å; F1034-L1036 PolarHBondContact O-N 3.17Å
1035	P	98	Very high	95.9	Very high	12 Å²	12	51.9 Å²	51.9	8%	0.078	25%	0.245	C	C	.	.			trans	-81.3	86.8	-175.3	30.9	-33.5	0	0	0	112.1	Y834 P993 S995 D1037 F1038	Y834-P1035 PolarHBondContact OH-O 2.9Å; Y834-P1035 VanDerWaalsContact OH-O 3.13Å; P993-P1035 HydrophobicContact CB-CG 3.71Å; P993-P1035 HydrophobicContact CG-CG 3.61Å; S995-P1035 WeakPolarHBondContact OG-CA 3.22Å; P1035-D1037 PolarHBondContact O-N 3.37Å; P1035-D1037 VanDerWaalsContact O-N 3.17Å; P1035-F1038 HydrophobicContact CB-CB 4.35Å; P1035-F1038 HydrophobicContact CG-CB 4.48Å; P1035-F1038 PolarHBondContact O-N 2.79Å
1036	L	97.5	Very high	95.2	Very high	23 Å²	23	43.3 Å²	43.3	12%	0.12	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-23.2	-173.7	-65.4	175.1	0	0	0	114.5	M837 I838 I845 F1034	M837-L1036 HydrophobicContact CB-CD2 4.14Å; M837-L1036 HydrophobicContact SD-CD2 4.07Å; I838-L1036 HydrophobicContact CD1-CB 4.1Å; I838-L1036 HydrophobicContact CD1-CD1 4.02Å; I838-L1036 HydrophobicContact CG2-CB 4.28Å; I838-L1036 HydrophobicContact CG2-CD2 4.38Å; I845-L1036 HydrophobicContact CD1-CD1 3.74Å; F1034-L1036 HydrophobicContact CD1-CD2 4.23Å; F1034-L1036 PolarHBondContact O-N 3.17Å
1037	D	97.8	Very high	94.3	Very high	76 Å²	76	42.5 Å²	42.5	41%	0.406	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-0.2	-176.2	-55.2	-56.1	0	0	0	113.7	S995 R998 P1035 L1039 S1040	S995-D1037 PolarHBondContact OG-N 3.35Å; R998-D1037 HydrophobicContact CG-CB 4.48Å; P1035-D1037 PolarHBondContact O-N 3.37Å; P1035-D1037 VanDerWaalsContact O-N 3.17Å; D1037-L1039 PolarHBondContact O-N 3.45Å; D1037-L1039 VanDerWaalsContact O-N 3.14Å; D1037-S1040 WeakPolarHBondContact O-CB 3.45Å; D1037-S1040 PolarHBondContact O-N 3.43Å; D1037-S1040 VanDerWaalsContact O-N 3.09Å; D1037-S1040 PolarHBondContact O-OG 3.31Å
1038	F	97.7	Very high	93.2	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	119.4	-177	177.9	-119.3	0	0	0	111.8	I818 M830 R839 L992 P993 S994 V997 P1035 S1040	I818-F1038 HydrophobicContact CD1-CE1 4.29Å; I818-F1038 HydrophobicContact CD1-CZ 4.36Å; M830-F1038 HydrophobicContact CE-CD1 3.46Å; M830-F1038 VanDerWaalsContact CE-CD1 3.46Å; M830-F1038 HydrophobicContact CE-CE1 3.49Å; M830-F1038 VanDerWaalsContact CE-CE1 3.49Å; R839-F1038 PolarHBondContact NH2-O 3.39Å; L992-F1038 HydrophobicContact CD2-CE2 3.88Å; L992-F1038 HydrophobicContact CD2-CZ 4.38Å; P993-F1038 HydrophobicContact CB-CB 4.04Å; P993-F1038 HydrophobicContact CB-CD1 3.28Å; P993-F1038 HydrophobicContact CB-CD2 4.1Å; P993-F1038 HydrophobicContact CB-CE1 3.63Å; P993-F1038 HydrophobicContact CB-CE2 4.41Å; P993-F1038 HydrophobicContact CB-CG 3.53Å; P993-F1038 HydrophobicContact CB-CZ 4.19Å; S994-F1038 WeakPolarHBondContact O-CB 3.34Å; S994-F1038 VanDerWaalsContact O-CD2 3.27Å; S994-F1038 WeakPolarHBondContact O-CD2 3.42Å; V997-F1038 HydrophobicContact CB-CD2 3.97Å; V997-F1038 HydrophobicContact CB-CE2 4Å; V997-F1038 HydrophobicContact CG1-CD2 4.19Å; V997-F1038 HydrophobicContact CG1-CE2 3.85Å; V997-F1038 CarbonylContact O-C 3.51Å; V997-F1038 WeakPolarHBondContact O-CA 3.36Å; V997-F1038 WeakPolarHBondContact O-CD2 3.37Å; P1035-F1038 HydrophobicContact CB-CB 4.35Å; P1035-F1038 HydrophobicContact CG-CB 4.48Å; P1035-F1038 PolarHBondContact O-N 2.79Å; F1038-S1040 VanDerWaalsContact C-N 3.26Å; F1038-S1040 PolarHBondContact O-N 3.18Å
1039	L	96.4	Very high	92	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	55	38	-174.5	-59.3	178.9	0	0	0	113	R839 V997 R998 M1000 D1037 E1041 H1042 L1044	R839-L1039 PolarHBondContact NH1-O 2.8Å; V997-L1039 HydrophobicContact CG1-CD2 4.24Å; V997-L1039 PolarHBondContact O-N 3.09Å; R998-L1039 CarbonylContact O-C 3.59Å; R998-L1039 WeakPolarHBondContact O-CA 3.45Å; M1000-L1039 HydrophobicContact SD-CD2 4.13Å; D1037-L1039 PolarHBondContact O-N 3.45Å; D1037-L1039 VanDerWaalsContact O-N 3.14Å; L1039-E1041 VanDerWaalsContact C-N 3.31Å; L1039-E1041 PolarHBondContact O-N 3.03Å; L1039-H1042 HydrophobicContact CB-CB 4.24Å; L1039-H1042 PolarHBondContact O-N 3.4Å; L1039-L1044 HydrophobicContact CB-CD2 4.03Å; L1039-L1044 HydrophobicContact CD1-CD2 3.86Å
1040	S	96.8	Very high	90.9	Very high	46 Å²	46	46.4 Å²	46.4	32%	0.322	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-27.9	178.7	60.1	0	0	0	0	114.4	R998 D1037 F1038	R998-S1040 PolarHBondContact O-N 3.4Å; R998-S1040 VanDerWaalsContact O-N 3.11Å; D1037-S1040 WeakPolarHBondContact O-CB 3.45Å; D1037-S1040 PolarHBondContact O-N 3.43Å; D1037-S1040 VanDerWaalsContact O-N 3.09Å; D1037-S1040 PolarHBondContact O-OG 3.31Å; F1038-S1040 VanDerWaalsContact C-N 3.26Å; F1038-S1040 PolarHBondContact O-N 3.18Å
1041	E	95.6	Very high	89.5	Confident	111 Å²	111	53.1 Å²	53.1	52%	0.519	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	4.2	-179.2	-62.8	168.4	-168.5	0	0	112.1	R998 N999 L1039	R998-E1041 HydrophobicContact CB-CG 4.19Å; R998-E1041 IonicContact CZ-OE1 3.5Å; R998-E1041 IonicContact NE-OE1 3.9Å; R998-E1041 IonicContact NH1-OE1 2.67Å; R998-E1041 PolarHBondContact NH1-OE1 3.31Å; R998-E1041 WeakPolarHBondContact O-CB 3.38Å; R998-E1041 PolarHBondContact O-N 2.95Å; N999-E1041 HydrophobicContact CB-CB 4.16Å; N999-E1041 PolarHBondContact ND2-OE2 2.6Å; L1039-E1041 VanDerWaalsContact C-N 3.31Å; L1039-E1041 PolarHBondContact O-N 3.03Å
1042	H	91.4	Very high	88.5	Confident	69 Å²	69	56 Å²	56	32%	0.319	31%	0.313	S	S	.	.	S	Bend	trans	-109.3	142.7	178.4	-167.6	66.2	0	0	0	111.9	L1039 L1044	L1039-H1042 HydrophobicContact CB-CB 4.24Å; L1039-H1042 PolarHBondContact O-N 3.4Å; H1042-L1044 PolarHBondContact O-N 3.06Å
1043	N	89.2	Confident	87.3	Confident	112 Å²	112	57.8 Å²	57.8	60%	0.599	33%	0.328	S	S	*	.			trans	-81.4	105.1	172.4	-177.4	12.9	0	0	0	110	M1045	N1043-M1045 VanDerWaalsContact C-N 3.26Å; N1043-M1045 PolarHBondContact O-N 2.81Å; N1043-M1045 WeakPolarHBondContact OD1-CB 3.47Å; N1043-M1045 PolarHBondContact OD1-N 3.27Å; N1043-M1045 VanDerWaalsContact OD1-N 3.12Å
1044	L	91.6	Very high	86.1	Confident	1 Å²	1	60.6 Å²	60.6	1%	0.005	34%	0.343	C	S	.	.			trans	-78.8	-2.6	-178.8	-65.5	173.9	0	0	0	114.3	Q827 A828 M830 H831 Y834 L1039 H1042	Q827-L1044 CarbonylContact C-O 3.55Å; Q827-L1044 HydrophobicContact CB-CB 4.24Å; Q827-L1044 HydrophobicContact CB-CD2 4.13Å; Q827-L1044 VanDerWaalsContact CB-O 3.27Å; Q827-L1044 WeakPolarHBondContact CB-O 3.42Å; Q827-L1044 HydrophobicContact CG-CD2 4.12Å; Q827-L1044 WeakPolarHBondContact O-CB 3.18Å; A828-L1044 PolarHBondContact N-O 3.04Å; M830-L1044 HydrophobicContact CB-CD1 4Å; M830-L1044 HydrophobicContact CE-CD1 4.25Å; M830-L1044 HydrophobicContact CE-CD2 4.48Å; H831-L1044 HydrophobicContact CB-CB 3.88Å; Y834-L1044 HydrophobicContact CD2-CD1 4.01Å; Y834-L1044 HydrophobicContact CE2-CD1 4.36Å; L1039-L1044 HydrophobicContact CB-CD2 4.03Å; L1039-L1044 HydrophobicContact CD1-CD2 3.86Å; H1042-L1044 PolarHBondContact O-N 3.06Å
1045	M	88.7	Confident	85.1	Confident	52 Å²	52	62.7 Å²	62.7	26%	0.256	36%	0.356	S	S	.	.	S	Bend	trans	-75.2	141.8	174.9	-73.7	-63.9	-68.4	0	0	110.9	H831 F832 N1043 S1047	H831-M1045 HydrophobicContact CB-SD 4.13Å; H831-M1045 PolarHBondContact CD2-SD 3.16Å; F832-M1045 HydrophobicContact CE2-CE 4.44Å; F832-M1045 HydrophobicContact CE2-SD 4.05Å; F832-M1045 HydrophobicContact CZ-SD 4.37Å; N1043-M1045 VanDerWaalsContact C-N 3.26Å; N1043-M1045 PolarHBondContact O-N 2.81Å; N1043-M1045 WeakPolarHBondContact OD1-CB 3.47Å; N1043-M1045 PolarHBondContact OD1-N 3.27Å; N1043-M1045 VanDerWaalsContact OD1-N 3.12Å; M1045-S1047 PolarHBondContact O-N 3.12Å
1046	P	81.4	Confident	84.3	Confident	17 Å²	17	65 Å²	65	11%	0.11	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-52.8	136.7	177.5	-27.2	35	0	0	0	112.5	A828 S1050 E1052 A1053	A828-P1046 HydrophobicContact CB-CG 4Å; P1046-S1050 WeakPolarHBondContact CB-OG 3.33Å; P1046-E1052 HydrophobicContact CB-CB 3.9Å; P1046-E1052 HydrophobicContact CG-CB 3.88Å; P1046-A1053 HydrophobicContact CB-CB 4.01Å
1047	S	78.3	Confident	83.7	Confident	81 Å²	81	66.4 Å²	66.4	57%	0.566	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-65.2	146.3	-178.6	59.6	0	0	0	0	112	M1045 G1049 S1050 A1053	M1045-S1047 PolarHBondContact O-N 3.12Å; S1047-G1049 PolarHBondContact O-N 3.4Å; S1047-S1050 WeakPolarHBondContact O-CB 3.22Å; S1047-S1050 PolarHBondContact O-N 3.32Å; S1047-S1050 PolarHBondContact O-OG 3.19Å; S1047-A1053 WeakPolarHBondContact O-CB 3.24Å
1048	V	73.4	Confident	83.2	Confident	153 Å²	153	66.3 Å²	66.3	93%	0.927	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	121.1	178.6	-178.6	0	0	0	0	109.5
1049	G	68.3	Low	82.6	Confident	66 Å²	66	68 Å²	68	68%	0.68	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.9	-6.7	-177.3	0	0	0	0	0	115.4	S1047	S1047-G1049 PolarHBondContact O-N 3.4Å
1050	S	72.8	Confident	82.1	Confident	15 Å²	15	69.6 Å²	69.6	11%	0.105	39%	0.393	C	S	.	.	S	Bend	trans	-70.3	155.2	167.2	64.2	0	0	0	0	111.5	P1046 S1047 E1052 A1053 M1054	P1046-S1050 WeakPolarHBondContact CB-OG 3.33Å; S1047-S1050 WeakPolarHBondContact O-CB 3.22Å; S1047-S1050 PolarHBondContact O-N 3.32Å; S1047-S1050 PolarHBondContact O-OG 3.19Å; S1050-E1052 PolarHBondContact O-N 3.15Å; S1050-A1053 PolarHBondContact O-N 3.07Å; S1050-A1053 VanDerWaalsContact O-N 3.13Å; S1050-A1053 VanDerWaalsContact OG-CB 3.23Å; S1050-A1053 WeakPolarHBondContact OG-CB 3.42Å; S1050-A1053 PolarHBondContact OG-N 3.49Å; S1050-A1053 VanDerWaalsContact OG-N 3.12Å; S1050-M1054 WeakPolarHBondContact O-CG 3.18Å; S1050-M1054 PolarHBondContact O-N 3.01Å; S1050-M1054 VanDerWaalsContact O-N 3.17Å
1051	K	70.1	Confident	81.7	Confident	171 Å²	171	67.5 Å²	67.5	74%	0.743	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-36.7	176.7	-69.8	-179.4	-178.5	174.4	0	111.2	M1054	K1051-M1054 PolarHBondContact O-N 2.96Å
1052	E	77.1	Confident	81	Confident	60 Å²	60	65.3 Å²	65.3	28%	0.28	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-24.4	179.5	-62.8	76.8	-165.7	0	0	112.9	N824 P1046 S1050 V1055 W1060	N824-E1052 HydrophobicContact CB-CB 3.93Å; N824-E1052 HydrophobicContact CB-CG 3.6Å; N824-E1052 PolarHBondContact ND2-OE2 3.38Å; P1046-E1052 HydrophobicContact CB-CB 3.9Å; P1046-E1052 HydrophobicContact CG-CB 3.88Å; S1050-E1052 PolarHBondContact O-N 3.15Å; E1052-V1055 WeakPolarHBondContact O-CG2 3.18Å; E1052-W1060 HydrophobicContact CB-CZ2 3.95Å; E1052-W1060 HydrophobicContact CG-CH2 4.35Å; E1052-W1060 HydrophobicContact CG-CZ2 4.09Å
1053	A	74.9	Confident	80.4	Confident	43 Å²	43	65.1 Å²	65.1	36%	0.355	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-20.1	170.4	0	0	0	0	0	113.1	P1046 S1047 S1050 V1055	P1046-A1053 HydrophobicContact CB-CB 4.01Å; S1047-A1053 WeakPolarHBondContact O-CB 3.24Å; S1050-A1053 PolarHBondContact O-N 3.07Å; S1050-A1053 VanDerWaalsContact O-N 3.13Å; S1050-A1053 VanDerWaalsContact OG-CB 3.23Å; S1050-A1053 WeakPolarHBondContact OG-CB 3.42Å; S1050-A1053 PolarHBondContact OG-N 3.49Å; S1050-A1053 VanDerWaalsContact OG-N 3.12Å; A1053-V1055 VanDerWaalsContact C-N 3.3Å
1054	M	73.4	Confident	79.9	Confident	156 Å²	156	62.5 Å²	62.5	77%	0.768	36%	0.361	S	S	*	.	S	Bend	trans	-79.5	-15	176.8	-68	-179.2	72.2	0	0	112.9	S1050 K1051	S1050-M1054 WeakPolarHBondContact O-CG 3.18Å; S1050-M1054 PolarHBondContact O-N 3.01Å; S1050-M1054 VanDerWaalsContact O-N 3.17Å; K1051-M1054 PolarHBondContact O-N 2.96Å
1055	V	76	Confident	79.3	Confident	53 Å²	53	66.1 Å²	66.1	32%	0.321	38%	0.382	S	S	.	.	S	Bend	trans	-88.5	149.6	175.3	-64.6	0	0	0	0	111.6	E1052 A1053 I1059 W1060	E1052-V1055 WeakPolarHBondContact O-CG2 3.18Å; A1053-V1055 VanDerWaalsContact C-N 3.3Å; V1055-I1059 HydrophobicContact CB-CD1 3.5Å; V1055-I1059 VanDerWaalsContact CB-CD1 3.5Å; V1055-I1059 HydrophobicContact CB-CG1 4.44Å; V1055-I1059 HydrophobicContact CG1-CD1 3.96Å; V1055-I1059 HydrophobicContact CG2-CD1 3.84Å; V1055-W1060 HydrophobicContact CG2-CZ2 3.97Å
1056	P	82.9	Confident	78.7	Confident	61 Å²	61	67 Å²	67	40%	0.396	39%	0.39	S	S	.	.			trans	-59.1	140.6	178.4	-22	33.5	0	0	0	111.9	L485 E1058 I1059	L485-P1056 HydrophobicContact CD1-CG 4.18Å; P1056-E1058 WeakPolarHBondContact CB-OE2 3.48Å; P1056-E1058 PolarHBondContact O-N 3.49Å; P1056-E1058 VanDerWaalsContact O-N 3.1Å; P1056-I1059 WeakPolarHBondContact O-CB 3.42Å; P1056-I1059 WeakPolarHBondContact O-CG1 3.4Å; P1056-I1059 PolarHBondContact O-N 3.28Å
1057	T	84.4	Confident	78.5	Confident	52 Å²	52	70.3 Å²	70.3	32%	0.319	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-55.5	-30.6	-179.1	-55.1	0	0	0	0	112.4	F832 I1059 W1060 T1061	F832-T1057 HydrophobicContact CE2-CG2 3.92Å; F832-T1057 HydrophobicContact CZ-CG2 3.46Å; F832-T1057 VanDerWaalsContact CZ-CG2 3.46Å; T1057-I1059 PolarHBondContact O-N 3.23Å; T1057-W1060 PolarHBondContact O-N 3.2Å; T1057-T1061 HydrophobicContact CG2-CG2 4.3Å
1058	E	85.9	Confident	78.5	Confident	73 Å²	73	69.6 Å²	69.6	34%	0.341	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-62.6	-11.1	178.7	-55.2	87.2	165.7	0	0	113.8	W486 R910 P1056	W486-E1058 HydrophobicContact CH2-CB 3.97Å; R910-E1058 PolarHBondContact NH1-O 3.27Å; P1056-E1058 WeakPolarHBondContact CB-OE2 3.48Å; P1056-E1058 PolarHBondContact O-N 3.49Å; P1056-E1058 VanDerWaalsContact O-N 3.1Å
1059	I	85.4	Confident	78.9	Confident	35 Å²	35	63.2 Å²	63.2	18%	0.179	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-63.5	-37	169.3	-69.6	-166.1	0	0	0	111.1	L485 R904 V1055 P1056 T1057	L485-I1059 HydrophobicContact CD1-CG1 4.1Å; L485-I1059 HydrophobicContact CD2-CD1 3.47Å; L485-I1059 VanDerWaalsContact CD2-CD1 3.47Å; L485-I1059 HydrophobicContact CD2-CG1 3.82Å; L485-I1059 HydrophobicContact CG-CG1 4.38Å; R904-I1059 PolarHBondContact NH2-O 3.24Å; V1055-I1059 HydrophobicContact CB-CD1 3.5Å; V1055-I1059 VanDerWaalsContact CB-CD1 3.5Å; V1055-I1059 HydrophobicContact CB-CG1 4.44Å; V1055-I1059 HydrophobicContact CG1-CD1 3.96Å; V1055-I1059 HydrophobicContact CG2-CD1 3.84Å; P1056-I1059 WeakPolarHBondContact O-CB 3.42Å; P1056-I1059 WeakPolarHBondContact O-CG1 3.4Å; P1056-I1059 PolarHBondContact O-N 3.28Å; T1057-I1059 PolarHBondContact O-N 3.23Å
1060	W	86.9	Confident	79.8	Confident	35 Å²	35	62.9 Å²	62.9	13%	0.133	33%	0.329	C	S	.	.			trans	-95.5	-9.7	-172.4	-47	114.4	0	0	0	113.2	I772 A825 A828 V829 F832 E1052 V1055 T1057	I772-W1060 VanDerWaalsContact CD1-O 3.3Å; I772-W1060 WeakPolarHBondContact CD1-O 3.32Å; A825-W1060 HydrophobicContact CB-CH2 3.81Å; A825-W1060 HydrophobicContact CB-CZ3 3.69Å; A828-W1060 HydrophobicContact CB-CB 4.47Å; A828-W1060 HydrophobicContact CB-CD2 3.86Å; A828-W1060 HydrophobicContact CB-CE3 4.28Å; A828-W1060 HydrophobicContact CB-CG 3.93Å; V829-W1060 HydrophobicContact CG2-CE3 4.28Å; F832-W1060 HydrophobicContact CD2-CB 4.14Å; F832-W1060 HydrophobicContact CE2-CB 4.11Å; E1052-W1060 HydrophobicContact CB-CZ2 3.95Å; E1052-W1060 HydrophobicContact CG-CH2 4.35Å; E1052-W1060 HydrophobicContact CG-CZ2 4.09Å; V1055-W1060 HydrophobicContact CG2-CZ2 3.97Å; T1057-W1060 PolarHBondContact O-N 3.2Å
1061	T	87.4	Confident	80.4	Confident	1 Å²	1	67.3 Å²	67.3	1%	0.006	35%	0.349	C	S	.	.			trans	-103.9	0	-174	67.1	0	0	0	0	116.2	T779 V780 F832 N902 D903 R904 R910 T1057	T779-T1061 PolarHBondContact O-OG1 3.1Å; V780-T1061 HydrophobicContact CG2-CG2 4.11Å; F832-T1061 HydrophobicContact CD1-CG2 3.8Å; F832-T1061 HydrophobicContact CD2-CG2 3.97Å; F832-T1061 HydrophobicContact CE1-CG2 3.54Å; F832-T1061 HydrophobicContact CE2-CG2 3.73Å; F832-T1061 HydrophobicContact CG-CG2 4.03Å; F832-T1061 HydrophobicContact CZ-CG2 3.52Å; N902-T1061 WeakPolarHBondContact CA-OXT 3.3Å; N902-T1061 VanDerWaalsContact CB-OXT 3.23Å; N902-T1061 WeakPolarHBondContact CB-OXT 3.38Å; D903-T1061 WeakPolarHBondContact CB-OXT 3.24Å; D903-T1061 PolarHBondContact N-OXT 3.49Å; R904-T1061 WeakPolarHBondContact CB-O 3.11Å; R904-T1061 PolarHBondContact N-O 3.28Å; R910-T1061 PolarHBondContact NH1-O 3.2Å; R910-T1061 PolarHBondContact NH1-OG1 3.13Å; R910-T1061 VanDerWaalsContact NH1-OG1 3.08Å; T1057-T1061 HydrophobicContact CG2-CG2 4.3Å

Retrieved 1,061 of 1,061 residues in 1668 ms (Link to these results)

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